data_5krw_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 5krw _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 ' 2' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 111.423 0.157 . . . . 72.31 111.423 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -57.49 -41.89 81.63 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.602 0.761 . . . . 64.01 111.159 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 24.8 m -69.36 -43.53 73.4 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.898 -1.046 . . . . 75.54 112.193 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -70.21 -42.61 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 118.024 0.375 . . . . 55.5 111.593 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.85 -33.95 76.74 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.775 0.43 . . . . 75.12 110.463 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.456 ' HB3' ' O ' ' A' ' 4' ' ' THR . 58.2 t80 -53.56 -52.1 60.82 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.135 0.974 . . . . 74.52 110.611 169.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 4' ' ' THR . 86.1 mt -57.47 -57.01 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.911 0.884 . . . . 75.04 111.598 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 65.0 m-80 -59.02 -41.94 88.98 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.355 0.662 . . . . 75.21 112.686 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.429 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.8 mtm180 -74.07 -39.37 63.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 118.886 -0.578 . . . . 71.14 111.833 -175.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.415 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 77.4 m95 -65.22 -34.55 78.63 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.415 0.552 . . . . 74.42 111.155 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -57.94 -46.61 84.78 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 123.909 0.756 . . . . 75.31 109.61 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 83.7 mmt-85 -58.59 -51.12 71.26 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 123.771 0.669 . . . . 71.32 110.558 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.4 mt -54.26 -45.46 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.325 1.05 . . . . 75.21 112.013 -174.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.58 -41.79 65.3 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 112.625 0.602 . . . . 61.44 112.625 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.88 -39.99 91.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.836 0.454 . . . . 74.31 111.123 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.7 mt -67.41 -53.71 26.81 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 123.927 0.891 . . . . 72.43 109.661 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.44 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 47.0 p -54.7 -45.35 73.96 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.173 0.921 . . . . 73.13 111.809 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -58.19 -51.67 68.76 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.149 0.906 . . . . 70.3 111.722 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.428 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 67.2 m -73.38 -38.79 65.54 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.993 0.738 . . . . 71.23 112.993 -173.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.498 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.3 pp -74.67 -19.92 60.08 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.1 0.409 . . . . 72.23 110.71 177.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -69.01 -41.75 77.36 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 110.035 -0.357 . . . . 71.32 110.035 169.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.87 -39.73 74.86 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.846 0.716 . . . . 64.42 109.725 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 21' ' ' LEU . 66.7 mt -72.65 -37.53 67.93 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.098 -0.955 . . . . 73.13 111.839 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.95 85.75 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.432 0.693 . . . . 73.24 111.174 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -73.3 -28.7 62.24 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.873 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.573 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 4.1 mmm180 -73.15 -19.52 61.11 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.48 0.712 . . . . 71.42 111.723 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.89 7.88 85.02 Favored Glycine 0 C--N 1.347 1.142 0 O-C-N 123.452 0.47 . . . . 42.32 112.789 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.573 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 55.5 mm-40 -71.07 85.88 0.73 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.442 0.697 . . . . 74.51 109.897 176.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.412 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 17.7 m95 -75.44 -39.47 58.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.623 0.369 . . . . 75.22 110.714 -176.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.64 -51.31 67.65 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.947 0.899 . . . . 74.53 109.974 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 88.7 mt -69.64 -39.72 76.95 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.109 -1.405 . . . . 72.4 111.124 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 21' ' ' LEU . 63.8 tp -55.88 -45.56 78.55 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.952 0.901 . . . . 72.42 111.31 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.527 HD22 HD12 ' A' ' 443' ' ' LEU . 84.1 mt -77.82 -25.84 49.13 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.275 -0.875 . . . . 64.1 111.719 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -66.33 -37.57 85.67 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 121.08 0.467 . . . . 75.42 110.043 172.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 79.5 mm-40 -80.27 -28.54 38.35 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.475 -0.784 . . . . 74.45 111.346 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -50.48 -57.15 8.73 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.877 1.271 . . . . 75.31 111.707 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.62 -47.41 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 124.136 0.898 . . . . 62.12 111.86 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 p -68.71 -37.85 79.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.138 0.575 . . . . 72.04 111.367 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 27.5 t80 -68.31 -59.06 3.47 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.114 0.965 . . . . 73.45 111.455 -175.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.42 -41.29 93.66 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 124.15 0.906 . . . . 74.2 110.26 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.79 -34.45 77.93 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.589 0.556 . . . . 63.22 112.028 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.5 m -65.69 -42.39 91.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.665 0.386 . . . . 75.33 110.891 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.55 HG22 HD23 ' A' ' 457' ' ' LEU . 59.0 mt -64.58 -43.98 96.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-O 121.736 0.779 . . . . 73.02 110.431 176.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.87 -48.38 82.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.867 -1.06 . . . . 75.34 110.439 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 t -71.95 -27.93 63.12 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 118.932 -0.556 . . . . 70.03 112.007 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -75.54 -31.27 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 CA-C-N 118.769 0.713 . . . . 72.43 111.386 175.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.468 ' HE1' ' HG2' ' A' ' 460' ' ' GLN . 24.5 mmt -88.08 -22.47 24.14 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.834 0.679 . . . . 72.11 112.834 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -83.72 -28.68 28.08 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.944 0.498 . . . . 74.3 110.266 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HG3' HH22 ' A' ' 10' ' ' ARG . 7.9 tmtm? -72.75 -38.85 67.24 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.293 -1.003 . . . . 73.51 108.293 169.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 72.97 133.21 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 126.188 1.795 . . . . 74.54 111.292 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.404 HG23 ' CE1' ' A' ' 7' ' ' PHE . 98.8 m -52.54 112.84 3.76 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.743 1.217 . . . . 75.33 111.365 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.441 ' HG2' HD13 ' A' ' 56' ' ' ILE . 30.8 Cg_endo -63.86 146.64 91.91 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.483 2.122 . . . . 73.11 111.98 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -65.39 -17.47 57.9 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.622 2.214 . . . . 72.21 113.547 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.58 62.83 3.36 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 116.6 -0.273 . . . . 75.15 113.178 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.441 HD13 ' HG2' ' A' ' 53' ' ' PRO . 46.0 mm -117.29 114.88 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.928 0.891 . . . . 64.42 108.782 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -75.74 175.49 8.63 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.368 0.267 . . . . 63.52 110.444 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -32.48 73.8 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.229 0.612 . . . . 74.55 111.224 -173.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 63' ' ' MET . 16.5 m -70.68 -47.01 62.08 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.106 0.562 . . . . 72.4 110.506 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.643 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 93.1 mt -69.03 -36.52 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-N 115.289 -0.869 . . . . 73.34 110.645 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.47 -41.1 93.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.535 0.734 . . . . 64.33 110.206 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.36 -39.71 92.65 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.439 0.696 . . . . 72.1 110.804 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.643 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 45.5 mtm -60.74 -56.35 22.24 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.064 0.545 . . . . 74.4 110.297 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 68' ' ' ILE . 25.6 m -73.15 -23.47 20.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.636 0 CA-C-N 115.397 -0.819 . . . . 70.34 112.201 -175.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.23 99.35 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.397 -0.594 . . . . 64.24 109.397 171.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.63 -43.11 99.72 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-N 115.221 -0.899 . . . . 55.2 112.264 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.0 -42.93 97.02 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.619 0.6 . . . . 74.41 112.619 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 64' ' ' VAL . 64.2 mt -68.8 -41.69 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.363 -0.606 . . . . 72.31 109.363 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -45.54 89.31 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.475 0.71 . . . . 75.34 110.894 178.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.44 -52.93 63.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.113 0.565 . . . . 75.3 110.094 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.6 -27.37 66.85 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 115.226 -0.897 . . . . 62.05 111.429 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.74 -44.87 69.36 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.281 0.632 . . . . 74.34 111.05 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.1 -55.03 37.3 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.183 0.927 . . . . 74.34 110.224 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -61.27 -42.26 98.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.124 -0.944 . . . . 61.3 111.846 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.479 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.7 tt0 -75.9 -24.69 55.64 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.776 0.831 . . . . 74.24 111.898 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -72.89 -36.56 67.34 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.15 0.5 . . . . 74.32 110.086 171.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.75 -32.48 71.04 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.651 -0.704 . . . . 74.24 110.156 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.4 mt -64.7 -44.26 90.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.105 0.562 . . . . 73.14 110.174 171.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -54.49 -56.75 15.56 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 124.204 0.94 . . . . 74.31 110.478 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.88 -46.6 93.26 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 123.518 0.511 . . . . 74.31 113.983 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.08 -52.56 63.41 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.938 0.895 . . . . 70.41 110.548 -176.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.41 HD23 HD22 ' A' ' 443' ' ' LEU . 81.9 mt -70.07 -25.32 63.48 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.785 -0.643 . . . . 64.44 111.3 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.75 -41.77 99.36 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 118.452 0.569 . . . . 64.34 110.264 172.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -59.48 -50.43 73.97 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.925 0.765 . . . . 75.03 110.003 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -60.83 -51.46 69.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.633 0.773 . . . . 75.25 111.905 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.21 -34.36 77.48 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.943 0.897 . . . . 54.23 111.955 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.23 -44.8 82.75 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.775 0.672 . . . . 74.14 110.488 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 48.2 mt-10 -63.17 -51.12 67.69 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.616 -0.72 . . . . 64.33 110.375 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.9 mt -58.98 -41.9 88.69 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.722 0.809 . . . . 74.04 111.742 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.6 t -65.0 -37.61 88.22 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.0 0.92 . . . . 73.1 111.541 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.0 t -70.2 -30.39 67.49 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.844 -0.617 . . . . 72.04 110.53 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 92.2 mt -72.89 -41.78 64.3 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.274 0.629 . . . . 71.35 110.602 175.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.42 -36.78 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.238 1.015 . . . . 75.42 110.535 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.37 -13.98 52.15 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.681 -0.69 . . . . 60.3 113.953 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -106.2 -52.5 2.79 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.004 0.922 . . . . 73.53 110.733 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.477 HG21 HG23 ' A' ' 433' ' ' VAL . 31.8 m -74.99 -36.89 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 116.053 -0.521 . . . . 73.11 111.782 -170.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 108.101 -1.074 . . . . 71.23 108.101 -179.232 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 119.683 -0.199 . . . . 73.25 111.113 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.26 -35.55 75.77 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.496 0.718 . . . . 73.44 111.626 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.65 -50.36 31.29 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.64 0.776 . . . . 71.45 110.601 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.4 t -67.42 -36.15 80.68 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.134 0.271 . . . . 65.34 111.396 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . 0.477 HG23 HG21 ' A' ' 96' ' ' VAL . 65.9 t -64.8 -47.36 88.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 123.342 0.657 . . . . 75.11 110.201 174.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.49 76.65 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.363 0.665 . . . . 72.43 111.715 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 439' ' ' GLN . 30.1 mmt180 -67.58 -56.72 8.35 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.445 0.466 . . . . 74.34 110.887 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -64.5 -35.77 82.02 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 123.443 0.464 . . . . 75.33 112.175 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -71.53 -39.44 70.72 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.411 0.684 . . . . 75.32 110.764 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.89 47.28 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.302 0.376 . . . . 55.44 110.643 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 28.1 mm-40 -60.0 -40.33 88.87 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.602 0.564 . . . . 72.32 110.641 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.83 -61.48 2.58 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 115.741 -0.663 . . . . 74.44 110.397 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.2 m -57.16 -37.35 71.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.963 0.905 . . . . 75.23 112.511 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -67.94 -50.72 54.29 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.339 0.655 . . . . 53.23 111.307 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.527 HD12 HD22 ' A' ' 34' ' ' LEU . 9.2 mp -72.61 -19.54 61.45 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 122.754 0.422 . . . . 75.2 111.205 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.3 -47.41 14.59 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.525 1.13 . . . . 73.12 111.298 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -66.8 -33.22 75.13 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.669 -0.493 . . . . 72.3 109.669 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.619 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -59.56 -46.69 88.17 Favored 'General case' 0 C--N 1.362 1.117 0 O-C-N 123.948 0.78 . . . . 72.52 109.913 171.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.599 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 30.8 ttm -64.35 -52.0 60.56 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.093 0.871 . . . . 75.33 112.611 -176.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 29.5 p -57.3 -42.87 82.61 Favored 'General case' 0 C--O 1.243 0.748 0 O-C-N 123.674 0.609 . . . . 74.12 111.073 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 453' ' ' THR . 59.7 mtpt -72.01 -40.16 68.67 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.553 -0.749 . . . . 74.41 111.538 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.619 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.4 pp -72.82 -23.59 60.8 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 118.779 0.718 . . . . 75.33 111.137 -176.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.86 -39.14 31.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.315 0.646 . . . . 64.1 109.274 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.87 -42.4 94.87 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.731 0.813 . . . . 64.13 110.371 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 449' ' ' LYS . 40.0 p -65.03 -60.41 3.07 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 118.39 -0.814 . . . . 74.14 109.542 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 60.1 p -52.42 -31.18 33.1 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.67 0.788 . . . . 73.42 112.405 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.0 t -57.82 -67.52 0.33 Allowed 'General case' 0 CA--C 1.55 0.981 0 O-C-N 123.623 0.577 . . . . 71.44 111.16 171.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.423 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 2.8 p90 -70.17 -19.67 63.18 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 112.769 0.655 . . . . 75.15 112.769 -177.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.55 HD23 HG22 ' A' ' 44' ' ' ILE . 62.6 mt -71.51 -44.72 64.15 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.37 0.668 . . . . 75.13 110.537 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 10.0 t -72.95 -31.52 64.63 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.401 0.438 . . . . 75.4 111.137 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -65.07 -49.99 67.89 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.367 0.417 . . . . 74.55 110.327 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . 0.468 ' HG2' ' HE1' ' A' ' 48' ' ' MET . 23.9 tp60 -63.27 -32.55 73.99 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.076 -0.966 . . . . 72.13 110.867 175.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.57 -50.75 64.0 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.792 0.437 . . . . 75.03 110.425 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 24.1 m -62.45 -37.53 86.23 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.848 0.718 . . . . 74.42 111.377 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.95 -52.51 14.28 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 116.297 -0.411 . . . . 71.34 111.376 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.7 ttm -61.63 -35.28 77.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.72 0.808 . . . . 72.41 111.167 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -76.82 -64.16 1.19 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.886 -0.783 . . . . 75.2 108.886 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.97 78.51 1.56 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.538 0.685 . . . . 71.14 111.946 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 CA--C 1.561 1.402 0 CA-C-O 118.644 -0.694 . . . . 55.13 110.996 162.386 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.0 p . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 112.501 0.556 . . . . 74.51 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -65.8 -32.55 74.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.861 0.865 . . . . 54.14 111.393 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.454 ' O ' HG13 ' A' ' 8' ' ' ILE . 39.2 m -76.39 -40.36 51.14 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.889 -0.596 . . . . 63.34 111.6 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.87 -37.15 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 CA-C-N 118.635 0.652 . . . . 74.22 110.801 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.75 -37.91 85.57 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.761 -0.459 . . . . 73.44 109.761 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 4' ' ' THR . 64.4 t80 -54.78 -59.03 5.27 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.203 1.001 . . . . 72.11 110.659 171.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.544 HG12 HG22 ' A' ' 60' ' ' ILE . 94.4 mt -55.07 -58.98 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 124.496 1.118 . . . . 74.13 111.644 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -60.53 -49.41 77.66 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.371 -1.286 . . . . 62.45 111.494 -170.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.493 ' O ' HG13 ' A' ' 14' ' ' ILE . 38.4 mtm180 -69.95 -36.94 75.65 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 118.468 -0.777 . . . . 73.34 111.496 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.424 ' HH2' HD23 ' A' ' 457' ' ' LEU . 24.4 m95 -58.59 -42.64 88.54 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 118.485 0.584 . . . . 75.23 110.741 173.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -58.31 -45.4 88.09 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.873 0.733 . . . . 74.35 110.088 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 32.9 mmt180 -66.87 -32.96 74.56 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 123.8 0.688 . . . . 75.34 111.407 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.6 mt -64.08 -44.31 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.405 0.682 . . . . 71.24 109.802 178.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -66.44 -43.32 85.95 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.591 0.756 . . . . 65.03 111.736 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.16 -47.87 84.2 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.301 -0.863 . . . . 64.24 110.633 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 80.8 mt -62.92 -54.6 36.1 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.694 0.798 . . . . 74.21 110.602 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 61.5 p -53.11 -43.85 67.18 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.885 0.874 . . . . 74.44 111.613 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.68 -51.03 68.81 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.527 -0.76 . . . . 74.53 111.082 176.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -63.35 -45.08 92.84 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.495 0.718 . . . . 63.52 112.3 -174.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.558 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.3 pp -79.86 -21.67 43.82 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.65 0.38 . . . . 75.41 111.308 -176.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.58 -43.85 97.79 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.55 -0.537 . . . . 72.24 109.55 169.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.84 -45.12 93.41 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.773 -1.103 . . . . 74.12 110.154 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.64 -33.67 76.14 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.487 0.715 . . . . 74.44 111.824 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.76 64.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.515 0.726 . . . . 71.02 110.973 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -76.3 -15.61 59.95 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.56 0.344 . . . . 62.45 111.134 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -80.7 -24.52 38.78 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.749 0.82 . . . . 71.42 110.919 172.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.17 7.13 73.86 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 123.556 0.535 . . . . 73.22 112.762 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.3 75.06 4.83 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.933 0.893 . . . . 73.11 109.575 174.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -69.24 -33.01 72.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.294 -0.866 . . . . 75.52 111.168 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.54 -50.36 72.09 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.107 0.963 . . . . 75.41 110.089 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.6 mt -73.6 -35.22 65.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.141 -1.39 . . . . 74.35 110.678 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 21' ' ' LEU . 60.6 tp -58.65 -48.8 79.82 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.461 0.705 . . . . 74.11 110.509 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.54 HD21 HD11 ' A' ' 443' ' ' LEU . 63.6 mt -75.82 -23.81 55.8 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.218 -0.901 . . . . 75.1 111.185 -177.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -69.39 -38.47 78.0 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.939 -0.393 . . . . 74.0 109.939 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -85.4 -15.18 43.96 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.881 -0.6 . . . . 74.11 111.668 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -53.06 -59.02 5.06 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.422 1.089 . . . . 70.2 110.721 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.82 -39.34 79.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 114.731 -1.122 . . . . 75.25 111.378 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -63.17 -47.58 82.05 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.109 0.963 . . . . 63.11 110.49 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.1 t80 -67.87 -57.66 5.88 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 125.098 1.359 . . . . 74.42 111.762 -173.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.21 -40.05 92.54 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.947 0.779 . . . . 75.31 110.832 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.54 -43.16 97.89 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.178 0.299 . . . . 70.5 111.283 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -59.94 -40.67 89.75 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 123.589 0.556 . . . . 65.53 111.307 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.57 ' O ' ' HG2' ' A' ' 48' ' ' MET . 63.0 mt -60.86 -60.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-N 115.745 -0.661 . . . . 62.11 109.383 173.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.49 -30.94 63.55 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.273 0.629 . . . . 75.25 112.301 -174.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 t -84.81 -22.99 29.31 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 112.761 0.652 . . . . 75.44 112.761 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG21 ' SD ' ' A' ' 48' ' ' MET . 34.1 m -77.07 -29.11 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 CA-C-N 119.16 0.891 . . . . 75.02 110.213 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.57 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 62.6 mmm -85.75 -19.67 30.43 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.403 0.52 . . . . 74.21 112.403 -175.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.07 -24.55 62.35 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 118.191 0.451 . . . . 74.54 110.751 172.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -78.02 -12.06 59.96 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.474 0.71 . . . . 73.31 110.9 169.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 59.82 27.53 16.86 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.32 1.448 . . . . 74.2 111.579 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m 61.77 98.94 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.172 0 O-C-N 124.434 1.084 . . . . 74.43 110.251 -170.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.5 ' O ' HG12 ' A' ' 56' ' ' ILE . 48.8 Cg_exo -57.23 124.74 16.88 Favored 'Trans proline' 0 C--N 1.371 1.719 0 C-N-CA 122.541 2.161 . . . . 65.55 110.626 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -64.99 -8.0 16.88 Favored 'Trans proline' 0 C--N 1.368 1.574 0 C-N-CA 122.674 2.249 . . . . 65.44 114.754 -175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.61 58.49 5.0 Favored Glycine 0 C--N 1.353 1.511 0 C-N-CA 122.674 0.178 . . . . 73.0 112.695 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 53' ' ' PRO . 50.9 mm -122.49 117.83 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.45 1.1 . . . . 72.33 109.142 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.6 t -75.58 166.2 23.94 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.427 -0.583 . . . . 75.21 109.427 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -68.26 -25.66 65.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.827 0.451 . . . . 75.45 112.081 -169.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.6 t -70.52 -46.61 63.3 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.022 0.529 . . . . 73.35 110.276 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.585 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 91.2 mt -64.07 -41.97 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.29 0.636 . . . . 75.12 110.286 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -60.84 -38.86 86.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.495 1.118 . . . . 74.44 111.052 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.37 -47.23 77.11 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.809 0.843 . . . . 63.24 110.761 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.585 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 51.9 mtm -56.87 -52.95 63.14 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.856 0.723 . . . . 73.13 109.98 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.3 m -71.99 -29.89 34.75 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 115.249 -0.887 . . . . 74.01 111.714 -175.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.62 -35.81 78.95 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.325 0.511 . . . . 71.53 110.151 173.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.3 -46.38 93.03 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 115.449 -0.796 . . . . 75.05 111.57 171.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.415 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.2 m-85 -65.45 -34.38 78.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.108 0.563 . . . . 72.32 112.235 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 64' ' ' VAL . 51.8 mt -73.98 -38.03 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.576 -0.527 . . . . 63.01 109.576 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -38.21 89.79 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.587 -0.523 . . . . 73.12 109.587 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.433 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 28.8 mt-30 -65.83 -52.19 52.57 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 115.188 -0.915 . . . . 75.13 110.535 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.516 HG22 ' HA ' ' A' ' 68' ' ' ILE . 6.1 t -63.75 -37.44 87.39 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 123.658 0.599 . . . . 74.12 110.814 -174.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.7 -46.33 85.97 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.38 0.672 . . . . 75.04 110.842 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.26 -51.32 66.64 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.176 0.922 . . . . 61.34 110.814 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.89 -41.88 90.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.574 0.75 . . . . 72.22 110.955 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.488 ' HA ' HD11 ' A' ' 78' ' ' LEU . 37.0 tt0 -73.71 -26.62 60.79 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.193 0.997 . . . . 74.21 111.25 -178.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -68.39 -41.76 80.05 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.726 0.81 . . . . 74.04 109.641 171.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.29 -31.99 70.85 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.51 -0.768 . . . . 72.34 110.508 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' A' ' 75' ' ' GLU . 98.1 mt -63.27 -45.32 92.0 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.958 0.503 . . . . 74.55 109.889 171.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -53.14 -54.47 35.31 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.392 0.677 . . . . 75.44 110.646 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.92 -45.66 62.81 Favored Glycine 0 C--N 1.35 1.338 0 O-C-N 123.903 0.752 . . . . 64.53 113.988 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.0 -55.39 26.09 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.772 0.829 . . . . 73.22 109.824 -176.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.67 -31.49 72.67 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.9 -0.591 . . . . 70.21 111.013 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.89 -45.69 89.66 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 122.677 0.391 . . . . 73.54 110.95 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.1 -47.78 84.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.189 -0.914 . . . . 72.53 110.39 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.464 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.2 mmp_? -61.02 -46.99 88.51 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.029 0.831 . . . . 63.15 111.247 -176.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 443' ' ' LEU . 62.7 mt -64.54 -36.46 84.29 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.071 0.948 . . . . 75.53 111.628 -178.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.12 -43.57 98.55 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.927 0.767 . . . . 73.42 110.525 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -69.59 -40.82 76.46 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.685 0.794 . . . . 64.44 110.893 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 94.6 mt -61.18 -51.88 67.16 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.196 0.598 . . . . 74.44 109.786 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 t -61.38 -34.33 75.15 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.746 1.218 . . . . 75.12 111.819 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.2 t -62.33 -46.77 87.22 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.567 -0.742 . . . . 74.43 110.428 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.36 -40.09 74.24 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.778 -0.646 . . . . 75.34 111.689 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.38 -44.53 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.762 0.825 . . . . 71.25 109.928 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.81 -27.73 67.16 Favored Glycine 0 C--N 1.344 1.0 0 O-C-N 123.743 0.652 . . . . 75.25 113.554 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -80.81 -51.82 8.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 122.998 0.519 . . . . 75.43 110.892 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.6 m -78.78 -29.05 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 112.987 0.736 . . . . 73.14 112.987 -171.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 107.699 -1.223 . . . . 75.31 107.699 -178.777 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.875 -0.417 . . . . 75.2 109.875 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.49 -45.33 92.0 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.543 0.737 . . . . 75.31 111.206 173.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.1 mt-10 -60.44 -53.94 51.51 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 124.207 0.942 . . . . 72.15 110.87 -175.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.3 t -61.18 -43.38 98.97 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.674 0.609 . . . . 72.33 111.485 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.24 -40.88 87.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 122.373 0.269 . . . . 75.43 110.345 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.86 79.43 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.512 0.725 . . . . 52.11 111.799 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.2 mmt180 -68.84 -54.35 16.2 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.097 -0.705 . . . . 75.31 109.097 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -69.65 -26.16 64.27 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.35 -0.841 . . . . 73.31 112.076 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -76.04 -38.46 57.18 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.703 0.801 . . . . 70.43 109.768 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.28 -55.22 26.6 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.206 -0.664 . . . . 75.54 109.206 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -54.34 -41.05 68.63 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.885 0.874 . . . . 65.43 111.352 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -61.62 -62.88 1.5 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-N 116.066 -0.515 . . . . 70.21 110.297 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 40.2 m -62.63 -35.16 78.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.036 0.934 . . . . 71.11 112.454 -172.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -69.08 -47.45 65.24 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.574 0.75 . . . . 75.41 111.322 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.54 HD11 HD21 ' A' ' 34' ' ' LEU . 8.1 mp -73.81 -19.62 60.7 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.457 0.303 . . . . 71.21 110.75 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.34 -42.25 23.3 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.338 1.055 . . . . 65.33 110.974 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.0 t -72.0 -34.09 68.61 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.414 -0.587 . . . . 74.23 109.414 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.552 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.1 ttt -60.41 -45.32 94.0 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 123.844 0.715 . . . . 64.02 109.499 170.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.476 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 33.1 ttm -60.53 -49.11 78.84 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.66 1.225 . . . . 73.15 112.56 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 41.8 p -65.1 -38.83 91.98 Favored 'General case' 0 C--O 1.246 0.895 0 O-C-N 123.482 0.489 . . . . 72.24 110.765 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -72.14 -40.7 67.86 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 115.804 -0.635 . . . . 74.11 111.518 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -72.7 -23.53 60.88 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 120.899 0.38 . . . . 73.4 110.446 -177.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.72 -50.11 53.42 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 124.148 0.979 . . . . 74.22 109.464 173.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -59.64 -46.6 88.53 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 114.902 -1.044 . . . . 70.42 110.921 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.459 HG22 ' HH ' ' A' ' 456' ' ' TYR . 40.1 p -62.68 -61.79 2.18 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 118.397 -0.811 . . . . 74.11 110.123 -177.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 76.1 p -53.53 -28.98 34.33 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.19 0.596 . . . . 73.33 112.601 -178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.413 ' O ' HG23 ' A' ' 458' ' ' THR . 33.2 t -61.61 -62.31 1.9 Allowed 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.609 0.568 . . . . 73.15 110.868 174.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.481 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 3.0 p90 -72.84 -20.6 61.1 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 112.053 0.39 . . . . 72.44 112.053 -177.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.511 HD21 HG22 ' A' ' 44' ' ' ILE . 70.8 mt -74.19 -37.22 63.99 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.262 0.625 . . . . 74.31 110.951 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 455' ' ' SER . 7.1 t -74.6 -32.0 62.21 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 110.267 -0.271 . . . . 72.33 110.267 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -59.89 -53.46 57.63 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.278 0.561 . . . . 74.13 109.617 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . 0.486 ' HG2' ' HE3' ' A' ' 48' ' ' MET . 28.6 tp60 -61.86 -35.18 77.53 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 114.331 -1.304 . . . . 74.51 111.217 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . 0.408 ' HB2' HG21 ' A' ' 68' ' ' ILE . 30.0 t80 -65.58 -56.32 12.9 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.321 0.648 . . . . 74.15 110.353 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 32.0 m -61.0 -35.52 77.04 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 124.17 0.919 . . . . 72.52 111.187 -175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.8 -52.04 14.39 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.172 0.589 . . . . 72.32 110.971 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 52.8 ttm -62.03 -33.98 75.36 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 115.611 -0.722 . . . . 75.4 110.784 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -81.51 -69.67 0.59 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.911 -0.774 . . . . 73.02 108.911 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.11 79.37 1.83 Allowed 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.123 0.569 . . . . 71.22 112.427 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.253 1.264 0 O-C-N 121.366 -0.833 . . . . 73.03 109.382 167.197 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 N--CA 1.484 1.252 0 CA-C-O 120.82 0.343 . . . . 73.01 111.739 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -63.74 -37.15 86.3 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.857 0.863 . . . . 73.33 111.122 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.449 ' O ' HG13 ' A' ' 8' ' ' ILE . 7.1 m -77.48 -34.79 54.2 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.461 -0.79 . . . . 72.15 111.548 -175.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -73.31 -42.72 57.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 118.218 0.463 . . . . 65.02 110.688 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.76 -36.55 84.24 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.471 0.308 . . . . 52.3 110.178 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.589 ' HE1' HG23 ' A' ' 52' ' ' THR . 79.9 t80 -52.86 -56.14 18.03 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.238 1.015 . . . . 73.02 111.396 171.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.535 HG12 HG23 ' A' ' 60' ' ' ILE . 72.4 mt -58.57 -52.29 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 123.607 0.763 . . . . 72.02 111.509 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 86.6 m-20 -56.52 -50.71 71.01 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.326 1.016 . . . . 74.25 111.374 -175.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -68.27 -42.0 80.21 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.651 0.594 . . . . 71.43 111.117 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -62.53 -39.45 93.6 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 118.144 0.429 . . . . 75.42 111.282 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -56.5 -48.58 76.89 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.5 0.5 . . . . 75.42 110.163 172.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 75.8 mmt-85 -60.9 -41.16 95.53 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 123.722 0.639 . . . . 73.43 110.765 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.88 -44.28 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.075 0.95 . . . . 75.01 110.997 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.09 -40.06 71.77 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.52 0.328 . . . . 74.53 111.863 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.29 -40.88 86.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.035 0.534 . . . . 75.51 111.172 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 92.7 mt -70.47 -48.86 53.76 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.548 0.739 . . . . 74.41 109.694 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.458 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.4 p -56.48 -41.26 76.28 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.816 0.698 . . . . 65.12 111.476 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -60.34 -52.65 64.36 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.385 1.053 . . . . 75.04 111.533 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -61.97 -47.31 85.42 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.484 -0.78 . . . . 74.54 111.334 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.497 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.3 pp -76.15 -19.85 58.09 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 122.919 0.488 . . . . 73.51 111.708 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.91 -44.95 83.7 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.395 -0.595 . . . . 63.44 109.395 172.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 34.4 mt-10 -60.62 -40.33 91.48 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.496 -1.229 . . . . 64.14 110.452 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 21' ' ' LEU . 88.1 mt -65.35 -38.46 90.15 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.436 0.695 . . . . 70.02 111.488 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.9 75.29 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.429 0.692 . . . . 65.31 111.566 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -77.16 -19.35 56.94 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.874 -0.603 . . . . 74.51 111.204 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.553 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -80.26 -20.43 44.51 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.226 0.61 . . . . 74.54 110.834 171.229 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.91 11.41 73.59 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 123.064 0.227 . . . . 71.12 113.171 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.553 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 40.2 mm-40 -70.39 82.22 0.56 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.513 0.725 . . . . 73.32 109.647 173.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -74.23 -41.36 61.45 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.284 0.233 . . . . 72.11 110.809 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.6 -50.48 67.94 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.119 0.968 . . . . 73.41 110.708 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.4 mt -70.94 -38.19 72.87 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.064 -1.426 . . . . 75.31 110.822 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 21' ' ' LEU . 58.7 tp -59.9 -46.45 89.3 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.873 0.869 . . . . 70.32 111.384 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.511 HD22 HD13 ' A' ' 443' ' ' LEU . 63.0 mt -75.23 -27.65 59.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.452 1.101 . . . . 72.33 111.07 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -69.44 -33.65 73.26 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.996 0.427 . . . . 74.25 109.991 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -82.55 -22.9 34.76 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.945 0.898 . . . . 74.54 111.665 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -49.48 -55.01 14.72 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.865 1.266 . . . . 64.55 111.019 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.3 m -60.14 -43.73 93.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 114.717 -1.128 . . . . 70.45 111.676 -174.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -66.85 -53.67 30.15 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.734 0.814 . . . . 62.13 110.765 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 20.3 t80 -59.79 -58.74 7.24 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.807 -1.542 . . . . 74.25 112.005 -175.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.3 -40.62 97.88 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.48 -0.782 . . . . 71.01 110.926 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.79 -39.53 77.72 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.891 0.476 . . . . 74.13 111.625 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.1 m -62.99 -44.37 96.22 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 123.691 0.619 . . . . 63.41 111.529 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.439 HG22 HD23 ' A' ' 457' ' ' LEU . 51.2 mt -63.15 -44.88 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 CA-C-O 121.787 0.803 . . . . 74.23 110.639 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 45.6 mt-10 -60.55 -47.21 87.17 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 114.867 -1.06 . . . . 74.32 109.828 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -74.55 -30.07 61.6 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.154 0.427 . . . . 75.44 112.154 -171.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 m -69.08 -32.82 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.661 0.664 . . . . 73.33 110.106 173.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.0 mmt -80.57 -24.22 39.36 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.248 0.462 . . . . 73.34 112.248 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 11.4 mm-40 -77.9 -24.45 48.38 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.23 0.468 . . . . 71.12 110.033 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -83.23 -2.12 54.79 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.203 0.601 . . . . 75.33 109.766 170.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 68.98 9.06 7.21 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.739 1.616 . . . . 74.14 112.442 175.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.589 HG23 ' HE1' ' A' ' 7' ' ' PHE . 53.5 m 62.09 105.38 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.263 0 C-N-CA 124.818 1.247 . . . . 75.14 110.83 -173.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -46.42 125.18 8.78 Favored 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 123.577 2.851 . . . . 73.44 112.972 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.98 -22.69 14.6 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.826 2.35 . . . . 72.42 113.926 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.79 70.11 3.23 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-O 120.969 0.205 . . . . 65.01 112.723 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.0 mm -120.29 121.91 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.234 1.013 . . . . 74.53 109.422 -174.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 t -75.26 164.65 26.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.947 0.499 . . . . 74.53 110.377 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -67.91 -18.24 64.72 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 112.801 0.667 . . . . 73.44 112.801 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.5 m -72.26 -45.01 61.96 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.408 0.623 . . . . 61.42 111.077 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.535 HG23 HG12 ' A' ' 8' ' ' ILE . 84.6 mt -74.34 -37.81 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 114.88 -1.055 . . . . 75.05 109.543 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -63.14 -34.07 76.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.098 0.959 . . . . 75.2 110.291 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.1 -51.0 63.89 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.585 0.754 . . . . 53.41 111.23 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.495 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 64.1 mtm -56.33 -52.82 63.14 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.566 0.541 . . . . 73.43 110.841 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 68' ' ' ILE . 19.8 m -74.73 -27.71 20.94 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 CA-C-N 115.535 -0.757 . . . . 75.03 111.927 -173.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.95 81.59 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.143 0.429 . . . . 62.53 110.249 170.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.64 -42.14 93.54 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-N 115.868 -0.605 . . . . 71.21 112.175 173.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 24.2 m-85 -65.81 -43.49 88.49 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.101 0.56 . . . . 64.32 111.625 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 64' ' ' VAL . 67.7 mt -67.54 -42.9 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 109.34 -0.615 . . . . 75.24 109.34 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -57.68 -49.85 75.12 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.844 0.458 . . . . 64.34 110.913 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.22 -40.17 86.34 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.943 -0.571 . . . . 72.24 110.283 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -27.39 65.28 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.418 -0.356 . . . . 75.32 110.838 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.43 -48.75 63.78 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.72 0.808 . . . . 74.52 110.842 174.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.499 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 24.1 t70 -56.9 -53.25 60.09 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.311 1.007 . . . . 64.22 110.044 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.431 ' N ' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -62.79 -45.18 93.85 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.596 -1.184 . . . . 63.31 111.107 -175.464 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.509 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.6 tt0 -73.92 -24.5 59.68 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.604 0.761 . . . . 74.13 111.892 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -72.39 -37.62 68.67 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.098 0.559 . . . . 74.21 110.06 172.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 68.3 mt -69.52 -32.91 72.04 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.76 -0.655 . . . . 73.41 110.102 176.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 75' ' ' GLU . 81.3 mt -63.84 -46.48 84.85 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.077 0.551 . . . . 75.21 109.82 172.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.05 -51.6 63.54 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.822 0.849 . . . . 74.43 111.286 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.7 -44.27 71.42 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 123.63 0.581 . . . . 74.12 113.679 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.11 -53.96 41.4 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.643 0.777 . . . . 75.2 109.711 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.83 -24.21 66.13 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.675 -0.693 . . . . 74.13 111.192 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.7 -46.5 87.85 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.254 0.479 . . . . 63.51 110.552 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -59.51 -48.92 79.78 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.414 1.071 . . . . 75.12 110.046 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -59.58 -49.02 79.4 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.425 -0.807 . . . . 74.31 111.383 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.431 HD22 ' HB2' ' A' ' 443' ' ' LEU . 73.9 mt -69.7 -28.23 65.67 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.682 0.793 . . . . 74.11 111.694 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.13 -44.41 88.8 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.361 0.6 . . . . 72.22 109.776 175.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -70.35 -45.04 66.93 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 114.813 -1.085 . . . . 72.24 111.259 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 93' ' ' ILE . 91.9 mt -62.96 -42.72 99.91 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 123.545 0.738 . . . . 63.44 110.147 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.4 t -59.7 -45.85 90.87 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.467 0.707 . . . . 72.12 110.484 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.2 t -59.87 -42.56 93.98 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.874 0.734 . . . . 62.02 111.086 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.68 -47.62 80.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.267 0.627 . . . . 75.24 111.002 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 89' ' ' LEU . 80.3 mt -58.83 -42.3 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.676 0.791 . . . . 74.32 110.067 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.73 -33.65 87.83 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 116.167 -0.469 . . . . 73.11 113.402 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.35 -35.74 24.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.395 0.678 . . . . 74.11 111.784 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.455 HG23 HG22 ' A' ' 433' ' ' VAL . 31.2 m -89.68 -27.79 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 122.535 0.334 . . . . 73.22 111.737 -175.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 108.369 -0.975 . . . . 72.53 108.369 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.824 -0.436 . . . . 72.33 109.824 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.68 -39.11 83.44 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.716 0.807 . . . . 74.44 111.677 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.4 mt-10 -67.32 -58.13 5.36 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.011 0.819 . . . . 75.24 110.749 -177.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 10.0 t -61.5 -40.67 95.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.658 0.383 . . . . 73.33 111.681 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . 0.455 HG22 HG23 ' A' ' 96' ' ' VAL . 55.9 t -61.06 -49.04 86.33 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 CA-C-O 119.163 -0.446 . . . . 75.02 109.926 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.2 -34.04 71.68 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.607 0.567 . . . . 72.44 111.95 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.7 mmt180 -69.95 -52.95 20.23 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 110.287 -0.264 . . . . 74.11 110.287 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -69.39 -24.94 63.93 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.337 -0.392 . . . . 71.52 111.693 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -76.3 -39.8 53.22 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.57 1.148 . . . . 65.12 109.805 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.05 -48.11 66.52 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.978 0.511 . . . . 44.52 110.468 176.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.45 -40.37 90.88 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.989 0.516 . . . . 75.31 110.661 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.54 -56.17 22.95 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 122.866 0.466 . . . . 74.11 109.811 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 58.5 m -62.85 -34.23 76.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.914 1.285 . . . . 75.32 112.996 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -79.62 -46.15 17.77 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.111 0.564 . . . . 73.44 111.125 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.511 HD13 HD22 ' A' ' 34' ' ' LEU . 10.0 mp -67.98 -19.65 64.96 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 110.389 -0.226 . . . . 75.41 110.389 172.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -78.7 -48.62 14.62 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.689 1.196 . . . . 72.01 110.951 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -65.3 -33.65 76.49 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.597 -0.52 . . . . 75.22 109.597 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.634 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.8 ttt -62.24 -50.92 69.81 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 123.564 0.54 . . . . 74.11 110.004 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.467 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 33.3 ttm -58.99 -48.96 79.69 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.005 0.816 . . . . 75.12 112.466 -176.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 32.7 p -64.3 -45.84 86.21 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.347 0.659 . . . . 71.3 110.732 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -66.95 -40.31 87.5 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.787 -0.642 . . . . 73.42 111.428 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.1 pp -73.64 -24.34 59.99 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 123.107 0.254 . . . . 74.24 110.371 -177.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -73.29 -42.24 62.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.716 0.806 . . . . 73.11 109.206 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -67.57 -43.59 80.25 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.975 -1.012 . . . . 71.41 110.901 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.409 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 34.8 p -63.65 -60.02 3.86 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-O 118.638 -0.696 . . . . 75.21 109.587 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 87.1 p -54.46 -31.34 55.41 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.506 0.722 . . . . 71.13 112.207 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.4 t -59.5 -65.2 0.71 Allowed 'General case' 0 C--O 1.247 0.951 0 O-C-N 123.696 0.623 . . . . 74.52 110.638 173.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.405 ' HA ' HE21 ' A' ' 459' ' ' GLN . 0.9 OUTLIER -69.68 -21.35 63.52 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 111.983 0.364 . . . . 75.33 111.983 -176.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.439 HD23 HG22 ' A' ' 44' ' ' ILE . 43.8 mt -73.51 -43.43 60.09 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.709 0.803 . . . . 74.32 110.897 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 11.2 t -70.71 -37.21 73.54 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.49 0.186 . . . . 73.11 110.806 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' A' ' 456' ' ' TYR . 15.7 mt-30 -68.33 -47.41 67.61 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.044 -0.525 . . . . 60.52 110.311 177.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -64.99 -33.89 77.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.888 0.875 . . . . 74.22 110.983 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . 0.419 ' HB2' HG23 ' A' ' 68' ' ' ILE . 34.5 t80 -63.23 -47.13 83.79 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.225 0.61 . . . . 73.11 110.521 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 28.0 m -61.22 -31.24 71.02 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 123.584 0.553 . . . . 74.53 110.527 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.89 -54.55 8.43 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.095 0.558 . . . . 60.33 111.83 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 49.8 ttm -67.01 -32.25 73.35 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.959 0.904 . . . . 74.01 110.986 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -77.87 -66.08 0.89 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 108.942 -0.762 . . . . 73.34 108.942 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.74 77.41 1.51 Allowed 'General case' 0 CA--C 1.563 1.473 0 C-N-CA 122.817 0.447 . . . . 75.31 111.982 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.489 1.494 0 C-N-CA 123.555 0.742 . . . . 73.35 112.16 166.645 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 112.787 0.662 . . . . 72.43 112.787 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -60.49 -38.28 83.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.454 0.702 . . . . 70.31 111.283 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.401 ' O ' HG13 ' A' ' 8' ' ' ILE . 39.3 m -71.13 -43.68 67.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.687 0.795 . . . . 71.25 111.567 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.02 -37.76 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.007 0.367 . . . . 71.12 110.809 -174.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.3 -33.72 71.89 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.624 0.37 . . . . 74.44 110.041 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -57.6 -56.34 23.21 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.711 0.804 . . . . 72.42 110.47 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 4' ' ' THR . 99.7 mt -56.61 -55.02 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 124.361 1.064 . . . . 74.01 111.212 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -60.61 -52.43 65.19 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 114.571 -1.195 . . . . 72.43 111.043 -173.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 14' ' ' ILE . 78.6 mtm180 -74.65 -32.22 62.19 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 118.371 -0.823 . . . . 74.51 112.221 -170.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -64.41 -38.81 92.33 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 119.008 0.822 . . . . 72.11 110.378 171.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.6 -41.65 97.76 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 123.469 0.481 . . . . 72.23 110.043 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 30.9 mmt180 -59.44 -49.62 77.1 Favored 'General case' 0 C--N 1.362 1.132 0 O-C-N 123.689 0.618 . . . . 74.24 109.621 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 10' ' ' ARG . 97.1 mt -55.08 -41.82 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 124.543 1.137 . . . . 74.24 111.537 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.46 80.99 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.315 0.646 . . . . 61.02 111.522 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.98 -35.15 76.39 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.338 0.655 . . . . 74.41 111.13 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.0 mt -69.44 -53.52 18.87 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.798 0.839 . . . . 73.04 109.613 -177.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.473 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 50.9 p -56.98 -43.67 81.9 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 124.459 1.099 . . . . 75.05 111.231 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -56.1 -51.96 66.01 Favored 'General case' 0 C--O 1.245 0.839 0 O-C-N 124.26 0.975 . . . . 75.15 110.819 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 56.3 m -60.61 -58.27 9.17 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.026 0.829 . . . . 71.24 111.027 -177.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.61 ' HB2' HD11 ' A' ' 33' ' ' LEU . 3.7 pp -67.88 -22.56 65.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.158 0.583 . . . . 73.34 112.43 -173.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 74' ' ' ASN . 60.1 tp -64.05 -48.99 74.1 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.233 -0.654 . . . . 74.51 109.233 172.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.71 -36.61 84.42 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 114.528 -1.215 . . . . 65.33 110.455 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 32' ' ' LEU . 64.5 mt -70.6 -31.59 68.63 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.567 0.747 . . . . 72.22 111.504 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -71.1 -45.76 63.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.721 0.808 . . . . 72.23 111.002 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -72.24 -28.06 62.91 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.935 0.494 . . . . 73.21 110.678 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -68.88 -26.09 64.94 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.545 0.738 . . . . 72.35 110.419 171.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.01 3.18 68.19 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 116.206 -0.452 . . . . 42.42 112.996 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.08 82.22 2.92 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 109.347 -0.612 . . . . 72.25 109.347 174.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -65.25 -29.06 69.8 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.153 -0.93 . . . . 73.44 110.578 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.66 -51.26 70.71 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.337 1.055 . . . . 54.32 110.671 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.539 ' HB3' HD12 ' A' ' 24' ' ' LEU . 79.0 mt -75.1 -33.82 61.65 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.223 -0.899 . . . . 73.11 111.088 -176.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.61 HD11 ' HB2' ' A' ' 21' ' ' LEU . 48.9 tp -58.32 -52.64 64.76 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.922 0.889 . . . . 75.14 110.613 172.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 443' ' ' LEU . 99.0 mt -70.03 -27.09 64.38 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.872 0.869 . . . . 73.1 111.782 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -62.27 -45.21 94.3 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.445 -0.576 . . . . 71.22 109.445 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 86.1 mm-40 -82.91 -13.07 56.77 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.343 -0.844 . . . . 73.53 111.736 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.48 -55.12 38.95 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.807 0.843 . . . . 64.22 110.956 174.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 m -56.68 -45.8 82.78 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 O-C-N 124.37 1.044 . . . . 74.22 111.094 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 p -67.89 -47.8 67.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.502 0.721 . . . . 70.43 110.669 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 30.0 t80 -59.29 -59.18 5.87 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.065 0.946 . . . . 75.55 112.099 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.98 -38.66 91.7 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 123.917 0.761 . . . . 73.04 110.68 -176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -59.89 -42.59 94.11 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.288 0.367 . . . . 73.51 111.119 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.9 m -63.4 -40.52 97.43 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.436 0.694 . . . . 73.25 111.451 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.409 HG22 HD21 ' A' ' 457' ' ' LEU . 68.1 mt -64.32 -44.54 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.093 0.473 . . . . 73.24 110.756 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.82 -34.89 67.14 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.093 -0.503 . . . . 74.52 111.768 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -74.47 -34.11 63.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.022 0.129 . . . . 75.53 110.775 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.01 -29.87 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 O-C-N 122.145 -0.347 . . . . 73.44 110.136 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.447 ' HE1' ' HG3' ' A' ' 460' ' ' GLN . 21.5 mmt -79.69 -11.3 59.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.312 0.645 . . . . 65.34 112.292 175.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.45 -31.69 70.16 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 109.196 -0.668 . . . . 74.54 109.196 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -90.0 -24.76 21.14 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.934 0.894 . . . . 73.33 110.43 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 48' ' ' MET . 9.1 tt0 61.44 -79.36 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.917 1.687 . . . . 63.51 109.958 -169.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.2 m -152.38 115.77 2.91 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 124.335 1.054 . . . . 74.02 108.256 172.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.96 139.64 91.75 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.27 1.98 . . . . 75.21 111.093 166.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.31 -21.37 61.52 Favored 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.449 2.1 . . . . 75.13 113.271 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.37 58.47 4.99 Favored Glycine 0 C--N 1.351 1.401 0 C-N-CA 122.67 0.176 . . . . 71.13 112.742 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mm -122.23 117.06 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.211 1.004 . . . . 74.53 108.8 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t -79.25 173.12 12.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.791 0.836 . . . . 73.33 110.488 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -23.95 65.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.345 0.658 . . . . 74.15 112.104 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 t -70.4 -56.87 5.61 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.587 -0.523 . . . . 74.42 109.587 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.23 -35.83 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.303 1.041 . . . . 73.42 110.988 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -57.66 -47.48 82.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.008 0.923 . . . . 60.1 110.628 175.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.78 -35.35 74.82 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 123.935 0.772 . . . . 72.23 110.819 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.4 mtp -60.33 -60.34 3.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.221 1.008 . . . . 73.25 110.644 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.8 m -70.59 -24.14 25.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.918 0 CA-C-N 115.236 -0.893 . . . . 74.44 111.066 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.37 93.57 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.71 -0.478 . . . . 75.23 109.71 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.95 -43.42 98.93 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 115.939 -0.573 . . . . 65.22 112.107 174.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -64.54 -41.65 96.21 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.22 0.608 . . . . 74.14 112.0 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.554 HG22 ' HB2' ' A' ' 461' ' ' PHE . 61.8 mt -72.45 -37.06 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.59 -0.522 . . . . 73.43 109.59 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -63.68 -40.11 95.99 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 110.207 -0.294 . . . . 74.11 110.207 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.5 -50.16 73.83 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 115.882 -0.599 . . . . 72.33 110.229 174.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.405 HG21 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -67.36 -32.68 73.78 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.434 -0.803 . . . . 75.42 110.975 -173.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.75 -44.81 84.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.545 0.738 . . . . 73.42 110.255 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.73 -51.1 70.79 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.316 -0.856 . . . . 72.14 110.615 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.415 ' HA ' HD22 ' A' ' 22' ' ' LEU . 12.7 m120 -65.76 -44.78 84.84 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.231 -0.895 . . . . 64.23 111.212 -177.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 78' ' ' LEU . 44.0 tt0 -70.02 -28.02 65.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.355 1.062 . . . . 73.31 112.037 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.22 -42.15 72.68 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.202 0.525 . . . . 70.32 109.721 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.8 -31.06 71.81 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.479 -0.782 . . . . 75.25 111.1 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.4 mt -62.31 -49.51 75.33 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.794 0.437 . . . . 65.22 110.047 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -51.9 -54.52 28.34 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 124.123 0.889 . . . . 75.54 110.458 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.71 -58.5 11.93 Favored Glycine 0 C--N 1.354 1.547 0 O-C-N 123.714 0.634 . . . . 72.42 113.876 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.83 -56.03 26.85 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.526 1.131 . . . . 75.34 110.635 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.449 HD23 HD22 ' A' ' 443' ' ' LEU . 77.4 mt -64.8 -35.18 80.28 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 118.621 -0.704 . . . . 73.01 110.931 -176.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.423 ' N ' ' HE3' ' A' ' 447' ' ' MET . 10.1 tt0 -61.66 -39.54 91.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 118.358 0.526 . . . . 62.32 111.389 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 25.3 mt-30 -61.79 -50.61 71.67 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.609 -0.723 . . . . 73.12 110.144 174.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -44.24 92.13 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.06 0.944 . . . . 71.43 111.618 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 443' ' ' LEU . 91.9 mt -69.82 -36.52 75.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.352 1.061 . . . . 74.21 111.696 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.22 -37.61 88.1 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.705 0.628 . . . . 73.35 109.815 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 39.8 mt-10 -65.12 -47.95 75.31 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 114.964 -1.016 . . . . 71.02 110.631 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 93' ' ' ILE . 97.1 mt -59.55 -41.03 89.19 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.445 0.698 . . . . 75.24 111.005 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.1 t -63.21 -40.52 97.71 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.399 1.08 . . . . 70.24 111.023 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 32.4 t -63.17 -45.54 91.32 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 115.385 -0.825 . . . . 72.14 110.009 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.441 ' O ' HG21 ' A' ' 96' ' ' VAL . 95.7 mt -60.13 -39.46 86.38 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.037 0.935 . . . . 72.54 111.426 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 89' ' ' LEU . 75.7 mt -62.25 -46.24 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.342 0.657 . . . . 75.32 109.471 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.76 -26.59 67.13 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 116.09 -0.505 . . . . 73.11 113.887 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.6 mm100 -82.5 -50.38 8.9 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.404 0.681 . . . . 74.21 111.346 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 92' ' ' LEU . 26.8 m -83.83 -44.63 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 C-N-CA 122.539 0.336 . . . . 70.45 111.804 -173.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 429' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 108.443 -0.947 . . . . 73.3 108.443 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.785 -0.45 . . . . 74.43 109.785 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -61.86 -43.02 99.7 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.152 0.581 . . . . 71.12 111.297 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.67 -52.38 52.06 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.127 0.892 . . . . 72.12 110.871 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.2 t -65.1 -39.56 93.3 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 123.827 0.704 . . . . 71.21 111.217 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.04 -38.57 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.125 0.57 . . . . 70.44 110.862 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.96 83.55 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.88 0.472 . . . . 75.11 110.485 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -73.22 -47.12 46.03 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 123.308 0.643 . . . . 75.31 111.221 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -61.98 -44.36 96.91 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 123.257 0.348 . . . . 75.35 111.151 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.31 -42.85 92.61 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.068 0.855 . . . . 75.14 110.397 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.91 -58.77 7.1 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.735 0.647 . . . . 61.1 110.715 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -63.09 -38.82 92.71 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.204 0.602 . . . . 74.23 111.235 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . 0.453 ' HA ' HD23 ' A' ' 86' ' ' LEU . 82.5 t80 -61.82 -62.49 1.76 Allowed 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.633 0.583 . . . . 71.12 109.486 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 59.7 m -56.63 -37.88 71.35 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.19 0.931 . . . . 75.51 112.059 -174.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -65.78 -54.17 30.53 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.398 0.679 . . . . 73.03 111.784 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.703 ' HB2' HD21 ' A' ' 86' ' ' LEU . 9.1 mp -71.17 -23.94 62.15 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.462 0.305 . . . . 74.31 111.309 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -79.8 -38.31 33.27 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.093 0.957 . . . . 72.13 111.349 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.0 t -75.46 -31.9 60.44 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.201 -0.666 . . . . 64.55 109.201 174.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.57 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.5 ttt -60.22 -41.76 93.74 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 109.218 -0.66 . . . . 72.11 109.218 170.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.556 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 27.6 ttm -64.9 -49.04 72.0 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.469 1.106 . . . . 72.21 112.286 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 20.6 p -63.42 -37.24 86.53 Favored 'General case' 0 C--O 1.242 0.694 0 O-C-N 123.647 0.592 . . . . 73.4 110.803 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -69.6 -46.02 67.26 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 115.967 -0.561 . . . . 75.33 110.921 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.57 HD22 ' HG2' ' A' ' 446' ' ' MET . 3.3 pp -73.75 -18.25 61.0 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 117.842 0.292 . . . . 75.15 111.391 -175.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -80.4 -41.48 24.54 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.283 0.633 . . . . 64.44 109.396 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -61.36 -48.09 82.86 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 115.614 -0.721 . . . . 73.32 109.779 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.493 HG23 ' HH ' ' A' ' 456' ' ' TYR . 68.8 p -62.34 -56.71 15.75 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 118.014 -0.993 . . . . 73.24 109.64 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 67.1 p -50.18 -38.78 41.42 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.919 0.888 . . . . 74.33 112.654 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -57.87 -64.02 1.05 Allowed 'General case' 0 C--O 1.246 0.915 0 O-C-N 124.087 0.867 . . . . 74.22 110.884 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.493 ' HH ' HG23 ' A' ' 453' ' ' THR . 4.6 p90 -72.68 -20.96 61.14 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.407 0.521 . . . . 75.31 112.407 -176.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.409 HD21 HG22 ' A' ' 44' ' ' ILE . 35.6 mt -71.92 -42.51 66.61 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.779 0.832 . . . . 73.22 110.095 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.8 t -73.4 -34.33 65.46 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.546 0.529 . . . . 72.24 110.222 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -62.04 -49.23 76.81 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.486 0.491 . . . . 74.53 110.336 172.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . 0.447 ' HG3' ' HE1' ' A' ' 48' ' ' MET . 16.4 tm0? -69.95 -37.42 75.85 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.015 -0.993 . . . . 74.34 110.598 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . 0.554 ' HB2' HG22 ' A' ' 68' ' ' ILE . 9.1 t80 -60.91 -57.11 14.02 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.296 1.038 . . . . 71.21 110.693 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 29.5 m -63.66 -29.41 70.65 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 123.912 0.758 . . . . 74.35 110.74 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -68.92 -52.04 33.53 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.242 0.617 . . . . 74.1 111.019 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 39.8 ttm -65.04 -35.79 82.28 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.395 0.678 . . . . 65.32 110.663 -174.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -78.6 -64.2 1.23 Allowed 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.433 -0.803 . . . . 63.14 108.946 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.07 81.1 1.96 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.638 0.775 . . . . 74.4 111.955 175.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.491 1.619 0 C-N-CA 123.58 0.752 . . . . 64.32 112.135 167.336 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.4 p . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 111.938 0.347 . . . . 75.41 111.938 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 m -66.64 -32.1 73.2 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.876 0.47 . . . . 72.03 111.36 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.462 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 83.7 m -74.05 -39.59 63.4 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.758 -0.656 . . . . 73.24 111.647 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 p -75.36 -35.76 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 O-C-N 121.957 -0.465 . . . . 75.24 111.169 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.25 -33.76 72.02 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.717 -0.475 . . . . 74.32 109.717 175.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 4' ' ' THR . 38.8 t80 -52.56 -53.22 49.33 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.569 0.748 . . . . 75.13 110.129 168.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.462 HG12 HG22 ' A' ' 60' ' ' ILE . 80.2 mt -57.11 -62.52 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.742 0.817 . . . . 74.34 111.536 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 57.6 m-80 -61.28 -39.61 91.04 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.725 0.81 . . . . 71.13 112.542 -173.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' O ' HG13 ' A' ' 14' ' ' ILE . 69.2 mtm180 -76.82 -34.36 57.9 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 118.365 -0.826 . . . . 75.33 111.457 -175.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.407 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 48.1 m95 -61.62 -39.3 90.77 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 118.923 0.783 . . . . 74.24 110.062 170.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' HB3' ' O ' ' A' ' 9' ' ' ASN . 64.7 tt0 -57.72 -44.62 86.08 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 115.375 -0.83 . . . . 74.45 110.435 172.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 65.9 mmt-85 -62.65 -42.32 99.54 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 122.595 0.358 . . . . 71.21 110.37 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.9 mt -59.36 -44.48 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.764 0.826 . . . . 72.32 111.128 -176.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.2 67.9 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 112.249 0.462 . . . . 74.02 112.249 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.11 -40.22 86.81 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.722 0.409 . . . . 75.51 110.616 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 80.3 mt -70.28 -48.69 55.6 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 123.278 0.631 . . . . 73.04 109.809 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.45 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 69.2 p -55.81 -43.47 76.92 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.104 0.877 . . . . 71.24 111.339 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.9 -45.49 85.7 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.155 0.909 . . . . 63.32 110.71 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.9 m -61.6 -60.31 3.88 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.97 0.508 . . . . 75.21 111.034 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.545 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -67.36 -20.8 65.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.596 0.759 . . . . 72.15 112.035 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.87 -55.37 26.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.565 -0.531 . . . . 62.41 109.565 170.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 50.1 mt-10 -66.49 -27.19 67.59 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.337 1.023 . . . . 73.44 111.162 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.581 HD13 ' HB3' ' A' ' 32' ' ' LEU . 85.8 mt -71.35 -49.83 38.37 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.669 0.788 . . . . 71.54 110.274 175.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 33' ' ' LEU . . . -61.63 -37.15 82.94 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.756 0.822 . . . . 74.43 111.484 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.41 ' HA ' HD11 ' A' ' 81' ' ' LEU . 9.1 tt0 -68.99 -43.38 74.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.571 -1.195 . . . . 74.11 110.488 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -78.38 -10.24 59.6 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.722 0.809 . . . . 73.41 109.96 178.317 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.63 -2.91 45.79 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 119.262 -0.743 . . . . 71.1 114.79 170.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.91 92.05 0.69 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.444 0.698 . . . . 75.24 110.925 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -75.37 -32.11 60.72 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.112 -0.495 . . . . 74.34 110.286 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.54 -57.22 13.64 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.943 0.897 . . . . 74.53 110.368 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.581 ' HB3' HD13 ' A' ' 24' ' ' LEU . 95.5 mt -69.3 -35.29 75.83 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 114.658 -1.155 . . . . 73.54 111.226 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 21' ' ' LEU . 52.8 tp -54.22 -58.73 6.28 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.128 0.571 . . . . 74.15 111.085 173.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.516 HD23 HD11 ' A' ' 443' ' ' LEU . 53.4 mt -71.0 -24.15 62.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.059 0.943 . . . . 74.33 111.698 -174.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -68.11 -41.64 81.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.821 0.848 . . . . 75.42 109.807 173.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.13 -22.83 35.95 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.254 0.621 . . . . 70.21 111.42 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.91 -55.38 14.65 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.138 1.375 . . . . 71.41 111.411 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.1 m -59.99 -42.09 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.369 -1.287 . . . . 71.5 111.05 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -69.89 -36.47 75.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.531 0.732 . . . . 73.53 111.106 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.45 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 29.7 t80 -67.96 -59.38 3.32 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.747 1.219 . . . . 75.23 111.043 -176.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.25 -37.37 87.25 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.674 0.79 . . . . 73.42 110.697 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.15 -47.53 74.98 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.217 0.607 . . . . 71.52 110.869 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.412 ' HA ' HG23 ' A' ' 46' ' ' THR . 69.5 m -61.08 -40.75 94.9 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 123.876 0.735 . . . . 75.4 111.602 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.45 HG22 HD23 ' A' ' 457' ' ' LEU . 65.7 mt -65.34 -44.83 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.322 0.582 . . . . 72.0 110.686 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.1 -31.54 66.14 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.784 -0.644 . . . . 75.44 111.591 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.412 HG23 ' HA ' ' A' ' 43' ' ' SER . 5.5 t -82.89 -26.26 31.71 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.59 0.356 . . . . 71.51 111.256 -175.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.85 -36.72 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 109.656 -0.498 . . . . 71.54 109.656 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mmt -73.96 -16.03 61.09 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.2 0.6 . . . . 75.03 111.978 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.29 -31.34 70.72 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.514 0.726 . . . . 73.31 109.778 170.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -104.35 11.46 34.68 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.287 1.035 . . . . 75.23 109.937 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.587 ' HG3' ' H ' ' A' ' 52' ' ' THR . 6.3 pt20 38.16 -94.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.668 1.987 . . . . 72.22 112.988 -172.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.587 ' H ' ' HG3' ' A' ' 51' ' ' GLN . 92.1 m -150.61 112.25 3.19 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 106.002 -1.851 . . . . 70.24 106.002 174.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.412 ' O ' HG12 ' A' ' 56' ' ' ILE . 81.3 Cg_exo -51.37 153.04 10.71 Favored 'Trans proline' 0 C--N 1.378 2.079 0 C-N-CA 123.204 2.603 . . . . 72.21 113.398 176.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.12 -24.03 28.47 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.262 1.975 . . . . 75.42 111.957 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -94.04 60.75 1.96 Allowed Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.973 -0.558 . . . . 63.52 112.268 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.438 HD11 HG22 ' A' ' 4' ' ' THR . 48.5 mm -108.31 105.97 19.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.108 -1.071 . . . . 74.12 108.108 172.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.7 t -74.89 172.28 12.52 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.5 0.5 . . . . 74.35 110.2 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -26.52 67.05 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.209 0.604 . . . . 73.4 110.914 -171.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 63' ' ' MET . 40.5 t -70.85 -51.82 24.11 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.88 0.872 . . . . 72.3 110.327 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.65 ' HA ' ' HE1' ' A' ' 63' ' ' MET . 93.4 mt -61.67 -44.77 99.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 123.994 0.809 . . . . 74.33 110.139 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.04 -41.25 96.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.819 1.248 . . . . 72.33 111.418 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.37 -45.14 77.17 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.425 0.69 . . . . 74.1 111.104 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.65 ' HE1' ' HA ' ' A' ' 60' ' ' ILE . 51.4 mtm -59.67 -58.64 7.71 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.09 0.556 . . . . 74.05 110.501 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.4 m -66.01 -31.2 52.63 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.813 0 CA-C-N 115.453 -0.794 . . . . 74.4 111.824 -175.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.38 82.97 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.294 0.497 . . . . 74.05 110.496 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.14 93.33 Favored Glycine 0 C--N 1.355 1.605 0 CA-C-N 116.069 -0.514 . . . . 72.53 111.992 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.441 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 31.8 m-85 -67.95 -36.74 80.62 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.319 0.648 . . . . 71.45 111.396 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 64' ' ' VAL . 74.5 mt -71.08 -40.94 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.295 -0.631 . . . . 65.52 109.295 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -58.89 -43.94 91.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.359 0.664 . . . . 74.3 110.768 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.84 -51.58 64.05 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.389 -0.823 . . . . 74.04 110.89 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 68' ' ' ILE . 4.7 t -65.47 -31.61 72.78 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 123.713 0.633 . . . . 75.11 110.992 -174.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.34 -44.44 79.06 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.463 0.705 . . . . 75.13 111.116 175.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 25.1 t70 -59.9 -50.19 74.73 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.208 0.943 . . . . 74.11 110.419 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -65.99 -44.86 83.6 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.481 -0.781 . . . . 74.42 110.888 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.2 tt0 -70.34 -24.74 63.04 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.227 1.011 . . . . 75.45 111.778 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -66.62 -48.99 67.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.453 0.701 . . . . 61.02 109.664 171.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 75.8 mt -66.18 -32.51 73.99 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.498 -0.774 . . . . 64.32 110.522 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.3 mt -62.83 -49.2 75.86 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.459 0.704 . . . . 73.51 110.304 172.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -52.42 -50.63 62.17 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.916 0.887 . . . . 71.03 111.256 -177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.48 -44.23 59.0 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.618 0.574 . . . . 70.14 113.627 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.41 HD11 ' HA ' ' A' ' 26' ' ' GLN . 6.4 tt -59.85 -56.85 16.67 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.975 0.91 . . . . 74.34 109.686 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.27 -30.1 71.31 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 114.855 -1.066 . . . . 74.11 111.0 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.404 ' HA ' ' HE3' ' A' ' 447' ' ' MET . 8.5 tt0 -62.14 -44.56 96.34 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 118.265 0.484 . . . . 73.43 110.947 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -62.9 -49.9 73.0 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 124.148 0.905 . . . . 72.15 109.875 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.6 mmp_? -57.53 -54.19 49.64 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 124.123 0.89 . . . . 74.15 111.138 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 443' ' ' LEU . 89.5 mt -61.87 -35.52 78.55 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.108 0.963 . . . . 73.2 112.501 -178.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.44 -44.4 95.86 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.597 0.759 . . . . 71.22 109.726 176.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.1 mt-10 -68.86 -50.47 49.6 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.888 -1.051 . . . . 73.22 110.691 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 85.1 mt -57.97 -44.37 87.05 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.886 0.874 . . . . 72.13 110.288 -177.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.2 t -61.59 -45.67 93.1 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.017 0.927 . . . . 71.2 111.074 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.3 t -59.48 -39.25 83.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.829 0.852 . . . . 74.54 110.837 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 96.3 mt -73.0 -42.5 63.2 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.507 -0.77 . . . . 74.22 111.695 -177.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 89' ' ' LEU . 91.4 mt -60.79 -38.5 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.091 0.556 . . . . 74.21 109.949 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.52 -21.95 63.14 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 115.841 -0.618 . . . . 62.15 113.937 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.61 -57.19 3.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.732 0.813 . . . . 75.02 111.534 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.4 m -77.29 -39.75 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 111.948 0.351 . . . . 72.41 111.948 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 108.203 -1.036 . . . . 65.4 108.203 -177.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.093 -0.706 . . . . 73.22 109.093 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.09 -45.86 91.64 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.287 0.635 . . . . 74.24 110.525 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.9 mt-10 -60.56 -50.91 71.63 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.612 1.195 . . . . 75.14 110.765 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 1.9 t -67.32 -34.53 77.56 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 123.626 0.579 . . . . 74.34 110.811 -173.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.43 -49.27 84.99 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 N-CA-C 109.365 -0.606 . . . . 71.14 109.365 169.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.04 70.0 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.174 0.989 . . . . 75.3 112.352 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 18.3 mmt180 -70.7 -56.61 6.01 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.506 -0.553 . . . . 72.31 109.506 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -69.54 -24.68 63.76 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.309 -0.86 . . . . 72.33 111.545 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -72.87 -41.86 64.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.673 0.789 . . . . 74.04 109.712 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.88 -52.8 62.64 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.705 0.628 . . . . 74.1 110.067 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -62.3 -38.16 88.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.605 0.566 . . . . 75.43 111.109 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -64.52 -60.02 3.63 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 119.157 -0.449 . . . . 72.43 110.168 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 56.8 m -52.61 -43.65 65.49 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.196 0.998 . . . . 74.33 112.386 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -75.22 -46.51 33.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.683 0.793 . . . . 75.44 111.86 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.516 HD11 HD23 ' A' ' 34' ' ' LEU . 9.1 mp -69.71 -23.03 63.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.295 0.238 . . . . 72.43 110.691 175.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.58 -43.96 21.97 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.911 0.884 . . . . 62.11 111.413 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.8 t -67.73 -34.03 76.03 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.448 -0.575 . . . . 74.43 109.448 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.624 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.5 ttt -61.73 -47.81 83.55 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 123.694 0.621 . . . . 75.42 109.633 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.422 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 15.8 ttm -57.13 -51.36 69.62 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.246 1.018 . . . . 72.4 112.605 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 5.4 p -65.26 -39.91 93.25 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.624 0.578 . . . . 64.13 111.401 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -71.44 -38.07 71.38 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 119.055 -0.498 . . . . 73.04 111.271 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 446' ' ' MET . 2.2 pp -76.43 -19.25 58.28 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.197 0.453 . . . . 74.45 110.613 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -75.78 -44.77 39.74 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.931 0.892 . . . . 71.13 109.314 174.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -58.21 -50.35 73.84 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 114.476 -1.238 . . . . 64.44 110.27 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.461 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 48.9 p -62.96 -59.72 4.44 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 115.111 -0.95 . . . . 75.51 110.149 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 93.2 p -51.99 -32.34 33.25 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.568 0.747 . . . . 71.44 112.399 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.433 ' O ' HG21 ' A' ' 458' ' ' THR . 28.6 t -59.91 -65.07 0.74 Allowed 'General case' 0 CA--C 1.549 0.917 0 O-C-N 123.652 0.595 . . . . 74.43 110.886 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.425 ' HH ' HG21 ' A' ' 453' ' ' THR . 3.9 p90 -72.05 -20.22 61.71 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.379 0.511 . . . . 73.1 112.379 -176.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.45 HD23 HG22 ' A' ' 44' ' ' ILE . 64.5 mt -75.51 -39.6 58.26 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.663 0.785 . . . . 73.32 110.881 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.433 HG21 ' O ' ' A' ' 455' ' ' SER . 5.8 t -70.7 -36.68 73.39 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.897 -0.408 . . . . 74.13 109.897 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -63.83 -43.25 96.74 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 123.492 0.495 . . . . 75.11 110.204 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -66.96 -32.84 74.35 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.375 -0.829 . . . . 72.2 110.882 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -67.42 -52.66 36.99 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.896 0.479 . . . . 72.15 110.323 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 53.5 m -59.46 -39.5 83.83 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 124.136 0.898 . . . . 71.03 111.196 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.13 -52.01 11.0 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.873 0.469 . . . . 75.23 111.725 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' MET . . . . . 0.507 ' SD ' HG22 ' A' ' 64' ' ' VAL . 56.1 ttm -61.13 -33.21 73.03 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.926 0.49 . . . . 74.32 111.095 -177.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -81.01 -63.74 1.34 Allowed 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.057 -0.519 . . . . 73.3 109.935 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 79.57 1.85 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.52 0.563 . . . . 74.11 112.52 175.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.251 1.145 0 O-C-N 121.338 -0.851 . . . . 65.52 109.318 167.321 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 111.55 0.204 . . . . 64.22 111.55 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -62.78 -38.97 92.75 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.808 0.843 . . . . 62.12 111.405 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 8' ' ' ILE . 20.9 m -75.76 -35.75 60.06 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.661 -0.7 . . . . 73.41 111.658 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.38 -40.09 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 117.86 0.3 . . . . 64.23 110.817 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.06 -31.22 71.58 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 120.92 0.391 . . . . 74.41 110.133 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.494 ' HE1' HG22 ' A' ' 52' ' ' THR . 37.2 t80 -57.73 -53.35 59.23 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.349 1.06 . . . . 74.5 110.875 170.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 4' ' ' THR . 77.9 mt -52.71 -57.47 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 C-N-CA 123.85 0.86 . . . . 74.32 110.504 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.488 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 80.0 m-20 -59.09 -47.53 84.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 113.435 -1.712 . . . . 74.55 111.972 -171.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.475 ' HE ' HG11 ' A' ' 47' ' ' VAL . 28.2 mtm180 -70.48 -44.23 68.12 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 118.509 -0.758 . . . . 74.2 112.071 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -60.72 -36.36 78.65 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 118.554 0.615 . . . . 72.45 110.924 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.5 tt0 -60.47 -47.6 85.42 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.133 -0.939 . . . . 75.32 109.571 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 70.8 mmt-85 -63.13 -37.15 86.06 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.498 0.499 . . . . 75.12 111.025 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.7 mt -61.77 -42.84 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.581 0.752 . . . . 72.13 110.145 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -42.67 74.76 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.957 0.503 . . . . 73.33 112.026 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 96.3 mt -65.77 -40.53 92.11 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.307 0.643 . . . . 74.05 111.134 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 81.3 mt -73.44 -46.44 48.45 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.76 0.824 . . . . 71.0 110.351 -176.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.417 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 51.9 p -57.38 -42.32 81.93 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.883 0.74 . . . . 74.11 110.81 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -59.19 -51.25 70.8 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.29 0.994 . . . . 52.42 111.146 173.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 m -57.63 -53.29 59.81 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.494 0.718 . . . . 71.13 111.349 -177.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.698 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.0 pp -74.86 -20.53 59.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.545 -0.752 . . . . 74.41 111.691 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.59 -44.03 83.3 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.569 -0.53 . . . . 75.21 109.569 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.9 -47.99 83.0 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.769 -1.105 . . . . 71.35 109.857 173.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 32' ' ' LEU . 58.1 mt -65.17 -33.8 76.86 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.715 0.806 . . . . 74.0 111.801 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -68.32 -48.69 64.21 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.57 0.748 . . . . 73.41 111.22 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.48 -27.71 63.43 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.219 -0.446 . . . . 75.03 111.16 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -75.54 -18.88 59.65 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.466 0.707 . . . . 75.22 111.382 175.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.44 5.45 72.22 Favored Glycine 0 C--N 1.345 1.079 0 O-C-N 123.185 0.303 . . . . 71.21 113.281 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 83.74 2.64 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.049 0.54 . . . . 72.42 109.91 172.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -74.43 -34.54 63.25 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.176 -0.92 . . . . 72.3 111.117 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.18 -44.25 97.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.295 0.638 . . . . 72.02 110.351 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' HB3' HD12 ' A' ' 24' ' ' LEU . 83.9 mt -74.07 -34.88 64.18 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.347 -0.842 . . . . 74.12 111.023 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' A' ' 21' ' ' LEU . 51.1 tp -56.5 -47.29 79.6 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.666 0.786 . . . . 75.01 110.497 173.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.542 HD22 HD11 ' A' ' 443' ' ' LEU . 84.0 mt -75.36 -24.59 57.33 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.087 0.955 . . . . 75.02 111.824 -177.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.61 -38.05 88.34 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.971 -0.381 . . . . 72.53 109.971 172.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 62.2 mm-40 -82.55 -29.16 30.53 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.165 -0.471 . . . . 72.35 110.94 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.09 -61.12 1.58 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 125.259 1.424 . . . . 71.02 111.84 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.5 m -59.05 -45.26 92.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 114.474 -1.239 . . . . 55.04 111.85 -173.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.7 m -68.15 -42.3 80.32 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.578 0.751 . . . . 74.25 111.739 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.5 t80 -67.34 -57.59 6.35 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 124.849 1.26 . . . . 75.23 111.256 -174.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.08 -39.28 89.32 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.089 -0.96 . . . . 71.25 110.466 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -55.55 -45.23 77.3 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.437 0.695 . . . . 74.03 111.317 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.8 m -63.06 -40.72 98.53 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.739 0.649 . . . . 73.23 111.171 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.455 HG21 HD22 ' A' ' 457' ' ' LEU . 64.7 mt -63.02 -46.32 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-O 121.652 0.739 . . . . 75.21 110.323 175.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -63.02 -39.61 95.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 114.983 -1.008 . . . . 71.45 111.445 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.41 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 7.0 t -83.79 -24.67 30.93 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.062 0.393 . . . . 74.21 112.062 -172.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.475 HG11 ' HE ' ' A' ' 10' ' ' ARG . 27.2 m -74.86 -34.42 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 CA-C-N 118.551 0.614 . . . . 75.32 110.158 172.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.584 ' HE1' ' HG3' ' A' ' 460' ' ' GLN . 25.9 mmt -77.64 -25.89 50.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.996 0.519 . . . . 75.2 111.585 175.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 38.6 tt0 -72.94 -31.15 64.4 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.6 0.76 . . . . 72.15 109.695 170.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HD2' ' HG3' ' A' ' 53' ' ' PRO . 1.5 tmtm? -75.48 -2.29 28.14 Favored 'General case' 0 CA--C 1.56 1.34 0 CA-C-N 115.25 -0.886 . . . . 74.32 109.735 173.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 70.42 9.39 6.94 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.706 1.602 . . . . 73.43 111.807 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.494 HG22 ' HE1' ' A' ' 7' ' ' PHE . 63.7 m 56.11 93.84 0.05 OUTLIER Pre-proline 0 CA--C 1.557 1.235 0 C-N-CA 124.346 1.058 . . . . 75.24 109.966 -168.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.526 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 67.7 Cg_exo -50.22 116.47 2.49 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 123.142 2.561 . . . . 73.1 112.251 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -63.63 -11.9 28.6 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.203 2.602 . . . . 73.42 114.448 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.49 58.3 5.03 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 122.775 0.226 . . . . 74.34 113.248 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 53' ' ' PRO . 31.9 mm -114.16 127.5 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.187 0.995 . . . . 72.41 108.837 -177.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 t -75.56 166.91 22.85 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 109.526 -0.546 . . . . 74.42 109.526 173.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -25.61 66.51 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.399 0.68 . . . . 74.52 111.399 -174.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -69.68 -51.84 31.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.677 0.791 . . . . 70.5 110.118 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.651 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 87.6 mt -66.17 -39.59 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.225 -0.898 . . . . 73.13 110.388 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -55.0 -43.37 73.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.712 1.205 . . . . 74.21 110.822 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.76 -45.35 75.17 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.695 0.622 . . . . 54.52 111.101 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.651 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 34.3 mtm -56.76 -57.17 13.6 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.198 0.599 . . . . 72.15 110.828 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.561 HG21 ' SD ' ' A' ' 464' ' ' MET . 34.9 m -68.91 -30.29 46.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-N 115.475 -0.784 . . . . 71.55 111.946 -175.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.8 83.85 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.734 -0.469 . . . . 73.0 109.734 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -63.13 -46.92 92.23 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 115.264 -0.88 . . . . 60.44 111.786 172.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.88 -37.56 87.39 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.587 0.755 . . . . 73.34 112.636 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 64' ' ' VAL . 67.4 mt -69.7 -43.01 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 108.955 -0.757 . . . . 73.41 108.955 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -40.04 84.02 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.689 0.796 . . . . 75.23 110.457 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 28.7 mt-30 -63.17 -51.56 65.89 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.514 0.725 . . . . 73.21 110.156 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.67 -30.19 69.67 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.499 -0.773 . . . . 74.03 110.958 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.8 -43.62 79.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.805 0.842 . . . . 75.21 110.801 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.92 -54.19 49.74 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.207 0.942 . . . . 74.44 110.184 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 7.9 m120 -66.16 -40.88 90.87 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.254 -0.884 . . . . 75.33 111.226 -174.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.473 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.5 tt0 -74.9 -25.11 58.7 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.937 0.895 . . . . 72.12 111.429 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.62 -35.2 65.3 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.617 -0.512 . . . . 75.25 109.617 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.14 -32.56 69.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.749 -0.659 . . . . 73.23 110.48 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -63.76 -46.64 84.35 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.009 0.524 . . . . 74.2 109.865 171.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -53.18 -49.6 66.35 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.139 -0.937 . . . . 73.44 110.925 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.02 -47.7 30.02 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 123.519 0.512 . . . . 71.14 113.591 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.26 -57.57 11.85 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.114 0.966 . . . . 75.33 109.763 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.444 HD21 HD22 ' A' ' 443' ' ' LEU . 78.7 mt -65.52 -26.9 68.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.486 -0.779 . . . . 74.33 111.36 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.435 ' HA ' ' HE3' ' A' ' 447' ' ' MET . 8.4 tt0 -56.98 -49.76 74.75 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 118.476 0.58 . . . . 70.13 110.495 173.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -62.23 -49.52 75.41 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 124.426 1.079 . . . . 73.23 110.055 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 85' ' ' ARG . 1.6 mmp_? -56.14 -52.59 63.78 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.791 0.837 . . . . 72.43 111.415 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 443' ' ' LEU . 98.1 mt -68.61 -32.35 72.18 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.951 0.9 . . . . 73.12 112.59 -177.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.97 -46.87 82.69 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 121.289 0.566 . . . . 63.4 109.996 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 41.6 mt-10 -61.56 -51.63 67.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.7 -1.137 . . . . 74.32 110.183 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 77.0 mt -57.97 -43.32 86.41 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.521 0.728 . . . . 75.43 111.157 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.6 t -62.28 -40.91 97.81 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.377 0.671 . . . . 73.02 110.997 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.6 t -65.43 -40.3 93.13 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.183 0.593 . . . . 72.54 110.808 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.2 mt -66.75 -42.07 86.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.837 0.855 . . . . 74.34 111.264 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.1 mt -65.64 -38.12 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.074 0.95 . . . . 70.32 109.707 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.56 -31.08 76.42 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 116.314 -0.403 . . . . 63.13 113.069 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.98 -40.19 24.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.217 0.607 . . . . 63.51 112.024 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.71 -32.02 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 112.813 0.672 . . . . 74.34 112.813 -168.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 108.642 -0.873 . . . . 74.11 108.642 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 109.872 -0.418 . . . . 74.24 109.872 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.09 -40.88 77.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.577 0.751 . . . . 73.52 111.376 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 50.5 mt-10 -68.03 -52.38 36.11 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 124.032 0.832 . . . . 64.53 111.046 -176.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.2 t -66.59 -34.63 78.31 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.15 0.281 . . . . 65.54 111.008 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.61 -41.31 91.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 C-N-CA 122.584 0.354 . . . . 73.4 110.208 173.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.23 98.78 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.172 0.589 . . . . 71.05 111.808 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 27.8 mmt180 -68.78 -50.62 48.83 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.935 0.494 . . . . 64.41 110.406 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -71.29 -29.1 64.64 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.356 -0.838 . . . . 64.55 111.852 -177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -68.35 -43.5 77.33 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 109.421 -0.585 . . . . 75.23 109.421 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.96 -57.72 11.46 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 123.853 0.72 . . . . 60.22 109.932 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.15 -44.71 83.68 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.226 0.611 . . . . 75.32 111.696 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -62.91 -62.58 1.62 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.742 0.417 . . . . 71.32 110.739 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 37.6 m -63.52 -34.01 76.84 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.856 0.862 . . . . 73.2 112.372 -171.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.6 -46.18 66.89 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.388 0.675 . . . . 70.03 111.442 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.542 HD11 HD22 ' A' ' 34' ' ' LEU . 9.8 mp -73.79 -20.28 60.52 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.399 0.28 . . . . 75.42 110.947 175.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -79.77 -43.58 22.25 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.314 1.046 . . . . 74.14 110.909 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.0 t -69.14 -35.55 76.48 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.782 -0.821 . . . . 64.4 108.782 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.598 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -60.22 -44.09 95.45 Favored 'General case' 0 C--N 1.364 1.213 0 O-C-N 123.547 0.529 . . . . 72.04 109.874 172.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.538 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 35.7 ttm -62.36 -53.86 48.85 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.11 0.881 . . . . 74.33 112.371 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 26.0 p -60.06 -38.44 82.83 Favored 'General case' 0 C--O 1.247 0.953 0 O-C-N 123.553 0.533 . . . . 73.33 110.972 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.98 -49.84 64.14 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 115.597 -0.729 . . . . 74.24 110.835 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.598 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.1 pp -70.41 -19.34 63.01 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 123.132 0.27 . . . . 74.03 111.537 -174.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -75.11 -50.47 16.27 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.751 0.821 . . . . 72.04 109.178 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -61.87 -41.81 98.31 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 115.141 -0.936 . . . . 73.22 110.581 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.448 HG23 ' HH ' ' A' ' 456' ' ' TYR . 56.0 p -65.49 -56.64 11.3 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.557 -0.735 . . . . 72.45 109.718 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 88.9 p -53.25 -32.62 49.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.206 0.603 . . . . 64.12 112.096 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.9 t -60.38 -64.22 1.03 Allowed 'General case' 0 CA--C 1.55 0.958 0 O-C-N 123.771 0.669 . . . . 52.03 110.872 174.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.448 ' HH ' HG23 ' A' ' 453' ' ' THR . 5.7 p90 -71.48 -21.36 61.95 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.474 0.546 . . . . 74.14 112.474 -176.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.455 HD22 HG21 ' A' ' 44' ' ' ILE . 65.8 mt -73.79 -39.17 64.33 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.37 0.668 . . . . 73.33 110.755 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 8.0 t -74.36 -33.02 62.98 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 110.381 -0.229 . . . . 74.14 110.381 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.95 -41.56 82.29 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.93 0.492 . . . . 75.25 110.587 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . 0.584 ' HG3' ' HE1' ' A' ' 48' ' ' MET . 16.7 tm0? -70.52 -33.67 71.45 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.324 0.65 . . . . 73.21 109.539 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -67.03 -37.26 83.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.347 0.659 . . . . 74.11 110.438 174.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 76.8 m -61.74 -39.71 92.52 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.462 0.305 . . . . 71.13 110.529 175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.23 -51.87 22.22 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.344 -0.389 . . . . 72.21 111.423 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' MET . . . . . 0.561 ' SD ' HG21 ' A' ' 64' ' ' VAL . 58.6 ttm -62.05 -33.14 73.83 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.856 0.862 . . . . 74.45 111.254 -176.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -79.83 -65.12 1.04 Allowed 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 108.74 -0.837 . . . . 75.11 108.74 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.4 79.96 1.8 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.119 0.568 . . . . 72.03 111.987 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 64.1 m . . . . . 0 C--O 1.253 1.276 0 C-N-CA 123.466 0.706 . . . . 73.23 111.58 166.101 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 112.38 0.511 . . . . 75.34 112.38 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -68.35 -35.13 77.29 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.338 0.655 . . . . 72.43 111.494 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 8' ' ' ILE . 41.4 m -71.57 -37.95 70.99 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.211 0.604 . . . . 75.45 111.685 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 p -79.53 -37.26 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.604 0.362 . . . . 74.43 110.614 -175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.67 -33.69 75.42 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.757 -0.46 . . . . 73.3 109.757 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HE1' HG21 ' A' ' 52' ' ' THR . 53.4 t80 -55.06 -56.59 18.06 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.973 0.909 . . . . 64.04 110.434 169.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.525 HG12 HG22 ' A' ' 60' ' ' ILE . 81.3 mt -55.2 -60.75 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.821 0.848 . . . . 75.14 111.447 -178.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 63.5 m-80 -59.88 -45.33 92.85 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.291 0.994 . . . . 72.41 111.525 -173.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.477 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.3 mtm180 -72.44 -32.88 66.66 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.361 -0.828 . . . . 61.31 112.387 -174.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.427 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 57.2 m95 -64.13 -38.03 89.58 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 118.744 0.702 . . . . 75.13 110.325 171.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -62.81 -40.01 96.08 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.656 0.597 . . . . 75.53 110.157 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 34.1 mmt180 -61.26 -52.37 65.04 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 109.07 -0.715 . . . . 72.4 109.07 175.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.7 mt -52.67 -42.14 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.738 1.215 . . . . 74.15 111.491 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.62 65.06 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.777 0.831 . . . . 51.21 112.178 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.5 mt -74.39 -31.41 62.34 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.119 0.568 . . . . 73.14 111.239 -176.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.9 mt -71.93 -50.86 25.46 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 118.724 -0.655 . . . . 71.23 109.333 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 67.8 p -55.36 -44.64 76.19 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 124.248 0.967 . . . . 73.55 111.072 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.12 -48.47 81.49 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 124.283 0.989 . . . . 65.31 111.111 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -65.22 -53.15 48.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.275 0.63 . . . . 64.44 111.767 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.584 ' HA ' HD12 ' A' ' 24' ' ' LEU . 4.3 pp -69.8 -20.99 63.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.944 0.497 . . . . 72.35 111.54 -177.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.443 ' HG ' ' NE2' ' A' ' 26' ' ' GLN . 65.9 tp -64.09 -52.18 60.5 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.033 -0.729 . . . . 71.24 109.033 171.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.78 -37.82 66.5 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.168 0.987 . . . . 75.41 110.735 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 21' ' ' LEU . 70.6 mt -68.42 -44.38 75.12 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.139 0.976 . . . . 74.11 111.19 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.36 88.34 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.298 0.639 . . . . 73.3 111.36 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.443 ' NE2' ' HG ' ' A' ' 22' ' ' LEU . 45.3 mt-30 -68.89 -33.1 73.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.587 0.755 . . . . 73.05 110.571 177.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.586 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -78.04 -14.21 59.59 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.885 0.874 . . . . 74.23 111.611 175.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.52 12.84 79.65 Favored Glycine 0 C--N 1.345 1.037 0 O-C-N 123.146 0.279 . . . . 61.23 113.25 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 25.6 mm-40 -77.5 86.79 3.85 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.972 0.909 . . . . 74.22 109.54 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -76.06 -35.22 59.53 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.234 -0.439 . . . . 75.52 110.929 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.57 -46.82 81.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.688 0.795 . . . . 74.44 109.888 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB3' HD11 ' A' ' 24' ' ' LEU . 93.9 mt -68.97 -35.55 76.88 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 114.877 -1.056 . . . . 74.41 111.092 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 21' ' ' LEU . 61.8 tp -61.07 -49.54 76.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.751 0.82 . . . . 72.52 110.786 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 443' ' ' LEU . 96.0 mt -68.87 -30.31 68.8 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.894 0.877 . . . . 73.54 111.402 -176.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -58.49 -44.73 89.5 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.199 0.523 . . . . 74.42 110.036 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -88.56 -11.58 45.21 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.243 -0.89 . . . . 74.02 112.387 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -54.42 -54.53 39.49 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.347 0.659 . . . . 74.12 111.165 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -62.73 -43.6 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.139 -0.937 . . . . 62.23 111.909 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.0 p -65.74 -45.07 84.0 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.187 0.595 . . . . 54.41 110.297 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.8 t80 -63.22 -64.68 0.84 Allowed 'General case' 0 C--O 1.242 0.709 0 C-N-CA 124.71 1.204 . . . . 72.42 112.145 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.38 -43.53 88.54 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.192 0.932 . . . . 74.03 111.058 -175.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.61 -41.22 98.85 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-O 119.344 -0.36 . . . . 74.14 110.923 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.9 m -59.07 -40.12 84.22 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.16 0.287 . . . . 71.22 111.482 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.566 HG21 HD21 ' A' ' 457' ' ' LEU . 68.0 mt -62.7 -50.0 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 121.75 0.786 . . . . 73.4 110.412 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.48 -35.77 81.55 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.879 -1.055 . . . . 74.32 111.577 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -83.82 -28.23 28.21 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 112.088 0.403 . . . . 75.41 112.088 -173.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.1 m -70.54 -29.15 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 118.603 0.638 . . . . 75.34 109.603 169.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.3 mmt -83.22 -15.03 52.02 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.118 0.567 . . . . 75.21 112.523 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.78 -31.26 71.03 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.316 -0.624 . . . . 74.44 109.316 165.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -91.99 6.56 45.86 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.973 -1.012 . . . . 75.12 110.747 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 46.32 26.98 0.52 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 126.797 2.039 . . . . 73.52 113.862 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.465 HG21 ' HE1' ' A' ' 7' ' ' PHE . 53.0 m 56.51 95.74 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 123.999 0.92 . . . . 74.3 110.366 -170.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.456 ' O ' HG12 ' A' ' 56' ' ' ILE . 12.1 Cg_endo -54.3 128.86 31.76 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.844 2.363 . . . . 64.43 111.049 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.37 -12.37 25.1 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.343 2.028 . . . . 65.21 113.573 -173.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.71 68.03 3.45 Favored Glycine 0 C--N 1.355 1.622 0 N-CA-C 111.493 -0.643 . . . . 74.14 111.493 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 53' ' ' PRO . 47.5 mm -126.79 119.87 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.59 1.156 . . . . 64.31 108.663 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -74.53 165.1 25.76 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.77 -0.455 . . . . 73.04 109.77 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.31 -20.48 65.62 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.884 0.474 . . . . 74.33 111.187 -173.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.3 t -70.68 -51.16 29.47 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.28 0.632 . . . . 55.12 110.622 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.607 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 83.3 mt -63.49 -42.25 95.56 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 123.347 0.659 . . . . 72.23 109.73 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -56.52 -41.45 76.77 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.848 1.259 . . . . 74.01 111.38 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -63.28 -49.02 75.7 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.375 0.67 . . . . 74.22 110.788 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.607 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 51.5 mtm -57.45 -55.79 30.29 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.88 0.737 . . . . 72.34 110.719 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.576 HG21 ' SD ' ' A' ' 464' ' ' MET . 31.2 m -70.89 -31.29 45.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.533 -0.758 . . . . 74.41 112.228 -172.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.55 -38.75 91.26 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.953 -0.388 . . . . 64.15 109.953 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.81 -41.13 99.91 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-N 115.862 -0.608 . . . . 65.11 111.774 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.481 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.5 m-85 -66.34 -37.3 85.02 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.343 0.657 . . . . 74.14 111.548 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 64' ' ' VAL . 59.2 mt -71.1 -38.55 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 109.332 -0.618 . . . . 71.13 109.332 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -58.08 -46.21 85.85 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.572 0.749 . . . . 73.45 109.413 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.75 -54.98 41.01 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.821 0.701 . . . . 71.21 110.302 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.47 HG23 ' HA ' ' A' ' 68' ' ' ILE . 4.6 t -65.22 -31.29 72.39 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.272 -0.876 . . . . 74.35 111.686 -170.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.31 -48.15 68.44 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.073 0.549 . . . . 73.25 110.409 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.07 -52.99 63.36 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.649 0.78 . . . . 73.14 110.342 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -64.53 -44.32 91.21 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.97 -1.013 . . . . 71.52 111.166 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.527 ' HA ' HD13 ' A' ' 78' ' ' LEU . 43.5 tt0 -70.17 -26.29 63.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.861 0.865 . . . . 73.33 112.11 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -68.82 -42.4 77.31 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.136 0.493 . . . . 72.23 109.783 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.88 -33.19 74.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.296 -0.865 . . . . 75.3 110.785 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 75' ' ' GLU . 95.7 mt -62.32 -49.35 75.96 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.901 0.48 . . . . 74.45 109.748 172.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.02 -50.67 66.13 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.866 0.866 . . . . 74.13 111.092 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.29 -47.46 63.73 Favored Glycine 0 C--N 1.354 1.542 0 O-C-N 123.538 0.524 . . . . 60.23 113.754 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 26' ' ' GLN . 6.9 tt -64.86 -53.43 46.76 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.849 0.859 . . . . 71.2 110.139 -174.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.31 -30.21 71.04 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 123.432 0.693 . . . . 71.42 110.805 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -61.67 -41.81 98.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.836 0.454 . . . . 71.31 110.519 175.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.11 -45.53 93.05 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.569 -0.741 . . . . 75.33 110.757 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -61.01 -46.79 89.33 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.316 0.646 . . . . 74.53 111.126 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.77 -37.4 87.48 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.933 0.893 . . . . 72.44 111.262 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.01 -42.17 97.23 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 123.92 0.762 . . . . 75.43 110.668 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 72.2 mt-10 -70.11 -45.76 66.25 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.069 -0.969 . . . . 73.34 110.696 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.96 -35.83 79.62 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.791 0.436 . . . . 64.52 110.794 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 t -64.93 -43.65 92.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.61 0.764 . . . . 73.04 110.308 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 p -69.14 -33.44 73.45 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 123.244 0.34 . . . . 74.15 111.038 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.47 ' O ' HG21 ' A' ' 96' ' ' VAL . 94.9 mt -63.57 -62.21 1.81 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.833 0.453 . . . . 75.3 109.985 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 69.7 mt -54.97 -46.46 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.585 1.154 . . . . 75.05 111.146 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.83 -37.86 80.34 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 123.997 0.811 . . . . 75.22 113.972 -174.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -85.88 -41.62 14.81 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 122.941 0.496 . . . . 71.5 111.674 -176.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 433' ' ' VAL . 30.4 m -81.67 -35.85 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 N-CA-C 112.181 0.437 . . . . 73.13 112.181 -173.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 107.994 -1.113 . . . . 74.45 107.994 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 433' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 109.761 -0.459 . . . . 74.42 109.761 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.32 -46.88 84.61 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.425 0.69 . . . . 74.42 111.283 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.5 mt-10 -70.79 -35.51 72.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.332 -0.849 . . . . 73.25 111.749 -173.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.0 t -70.3 -38.66 75.04 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 110.168 -0.308 . . . . 74.44 110.168 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 96' ' ' VAL . 76.7 t -59.34 -41.12 83.24 Favored 'Isoleucine or valine' 0 C--N 1.364 1.222 0 O-C-N 123.458 0.474 . . . . 72.11 110.13 171.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.56 79.21 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.786 0.834 . . . . 74.5 111.096 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 439' ' ' GLN . 16.3 mmt180 -69.91 -47.03 64.08 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.107 -0.331 . . . . 72.44 110.107 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -61.65 -42.94 99.59 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 123.638 0.586 . . . . 71.41 111.438 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -73.34 -30.63 63.46 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.966 0.792 . . . . 73.34 110.542 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.0 -53.24 58.36 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.389 -0.597 . . . . 64.3 109.389 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 23.9 mm-40 -61.6 -38.01 86.03 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.618 -0.719 . . . . 74.03 110.246 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -65.36 -63.37 1.12 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.956 -0.566 . . . . 62.23 110.081 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 76.9 m -61.05 -35.95 78.3 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.38 1.072 . . . . 71.51 112.288 -172.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.01 -47.95 60.04 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.188 0.595 . . . . 75.22 111.523 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.508 HD13 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -72.06 -19.85 61.76 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 122.5 0.32 . . . . 74.53 111.36 176.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.58 -46.77 24.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.651 1.181 . . . . 74.02 110.39 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.1 t -70.8 -33.88 71.18 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 109.765 -0.457 . . . . 73.21 109.765 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.469 ' HG2' HD21 ' A' ' 450' ' ' LEU . 25.2 ttt -59.49 -44.27 93.11 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 123.344 0.657 . . . . 71.01 110.167 173.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.574 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 26.8 ttm -65.5 -48.16 73.52 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.971 0.909 . . . . 73.24 112.511 -176.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 13.7 p -61.94 -39.26 91.5 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.6 0.562 . . . . 73.42 110.685 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -66.95 -45.18 78.55 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 115.771 -0.649 . . . . 73.4 111.143 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.574 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 3.1 pp -75.02 -17.8 60.45 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 118.052 0.387 . . . . 72.41 111.71 -175.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.66 -45.24 38.18 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.005 -0.739 . . . . 64.4 109.005 173.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -59.02 -47.13 86.31 Favored 'General case' 0 C--O 1.254 1.338 0 C-N-CA 124.131 0.972 . . . . 75.24 110.55 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 456' ' ' TYR . 68.0 p -62.15 -57.17 12.53 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.329 -0.851 . . . . 64.44 110.009 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 63.0 p -50.27 -36.81 33.0 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.002 0.921 . . . . 72.31 112.337 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 42.5 m -56.68 -68.32 0.23 Allowed 'General case' 0 CA--C 1.551 1.012 0 O-C-N 123.988 0.805 . . . . 71.54 111.117 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 4.9 p90 -71.82 -20.39 61.84 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 113.202 0.815 . . . . 75.4 113.202 -174.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.566 HD21 HG21 ' A' ' 44' ' ' ILE . 58.8 mt -71.25 -45.76 62.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.616 0.766 . . . . 71.53 110.486 178.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.3 t -70.11 -31.77 69.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 123.487 0.492 . . . . 72.21 110.643 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -64.1 -50.79 66.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.236 0.614 . . . . 73.43 110.769 173.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -61.4 -33.98 74.59 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 114.771 -1.104 . . . . 72.23 110.426 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . 0.409 ' HB2' HG22 ' A' ' 68' ' ' ILE . 38.6 t80 -69.74 -41.41 75.3 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 123.852 0.861 . . . . 73.15 111.056 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 23.8 m -60.26 -43.92 95.75 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.493 0.496 . . . . 60.21 110.538 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -70.86 -50.02 39.82 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.909 -0.587 . . . . 73.42 111.435 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' MET . . . . . 0.576 ' SD ' HG21 ' A' ' 64' ' ' VAL . 55.3 ttm -63.16 -32.32 73.68 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.498 0.719 . . . . 71.42 111.65 -175.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -81.21 -60.03 2.43 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.611 -0.722 . . . . 75.41 109.102 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.2 77.0 1.51 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.506 0.67 . . . . 74.42 111.786 177.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 CA--C 1.561 1.385 0 C-N-CA 123.201 0.601 . . . . 70.11 111.388 165.446 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 111.91 0.337 . . . . 75.21 111.91 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -58.65 -45.55 89.08 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.408 1.083 . . . . 72.11 111.118 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.504 ' O ' HG13 ' A' ' 8' ' ' ILE . 13.8 m -72.9 -37.44 67.25 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.226 -0.897 . . . . 74.22 111.761 -174.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.2 p -75.14 -41.19 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 117.871 0.305 . . . . 72.52 111.147 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.91 -33.75 76.26 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 110.111 -0.329 . . . . 74.01 110.111 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.454 ' HB3' ' O ' ' A' ' 4' ' ' THR . 40.3 t80 -52.71 -53.84 42.01 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.337 1.055 . . . . 72.02 110.312 168.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.53 HG12 HG23 ' A' ' 60' ' ' ILE . 75.9 mt -55.81 -55.53 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.911 0.884 . . . . 75.52 111.325 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 55.3 m-80 -56.92 -49.4 75.73 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.039 0.837 . . . . 73.24 111.653 -176.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.577 HH22 ' HG2' ' A' ' 50' ' ' LYS . 35.9 mtm180 -65.96 -42.8 89.46 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.752 0.657 . . . . 73.33 111.7 -174.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -63.44 -37.12 86.06 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.931 0.332 . . . . 75.3 111.148 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.14 -43.39 95.75 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.476 0.485 . . . . 71.41 109.968 173.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 34.3 mmt-85 -58.84 -52.92 63.66 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 109.541 -0.54 . . . . 74.23 109.541 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.0 mt -55.05 -39.33 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.315 1.046 . . . . 74.34 111.308 -176.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.55 63.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.414 0.685 . . . . 75.14 112.377 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.47 -38.73 84.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.282 0.633 . . . . 71.21 110.484 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.8 mt -69.72 -49.5 52.64 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 115.232 -0.895 . . . . 75.44 109.605 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 77.2 p -55.02 -44.04 74.21 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.249 0.62 . . . . 71.04 111.292 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.81 -52.54 62.77 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 123.974 0.796 . . . . 71.43 111.205 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -62.69 -46.05 89.96 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.405 0.441 . . . . 71.12 112.116 -173.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.536 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.4 pp -73.85 -26.15 60.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.623 0.369 . . . . 73.53 111.874 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.41 -44.38 96.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.025 0.441 . . . . 75.3 110.111 173.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.65 -42.44 98.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.937 -1.029 . . . . 75.31 110.221 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 21' ' ' LEU . 72.6 mt -64.27 -35.53 81.15 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.416 0.687 . . . . 75.12 111.122 177.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.493 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -69.76 -49.83 49.26 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.69 0.796 . . . . 73.42 111.531 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -70.97 -26.45 63.17 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.128 0.571 . . . . 71.41 111.115 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -73.84 -26.61 60.68 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.901 0.48 . . . . 74.22 111.104 173.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.47 3.26 55.4 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 123.356 0.41 . . . . 63.32 113.215 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.01 81.43 1.71 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.708 0.803 . . . . 73.34 109.661 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -71.93 -34.81 69.34 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.442 -0.799 . . . . 73.42 110.698 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.68 -43.01 99.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.938 0.895 . . . . 73.12 110.38 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.6 mt -78.66 -31.2 46.65 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.845 -1.07 . . . . 74.42 110.73 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 21' ' ' LEU . 47.6 tp -60.5 -46.37 90.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.421 0.689 . . . . 74.05 110.335 172.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.55 HD21 HD11 ' A' ' 443' ' ' LEU . 85.8 mt -74.35 -26.71 60.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.229 1.012 . . . . 74.24 110.787 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -61.02 -40.48 93.76 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.0 -0.545 . . . . 65.44 109.796 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -85.62 -22.94 27.74 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.511 -0.768 . . . . 73.13 111.83 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -51.88 -48.93 63.85 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.315 1.046 . . . . 71.45 111.213 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -56.87 -52.56 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 124.176 0.923 . . . . 75.14 111.386 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.9 p -69.69 -39.08 77.16 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.656 0.782 . . . . 71.41 111.326 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.9 t80 -65.7 -62.96 1.22 Allowed 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.442 1.097 . . . . 73.04 111.775 -174.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.0 -34.99 79.25 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.687 -0.688 . . . . 61.13 110.569 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.53 -43.78 89.35 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.688 0.395 . . . . 64.34 111.169 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.496 ' HA ' HG23 ' A' ' 46' ' ' THR . 73.1 m -66.29 -36.53 83.21 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.481 0.488 . . . . 73.13 111.684 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.579 HG21 HD21 ' A' ' 457' ' ' LEU . 62.9 mt -66.27 -44.83 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 121.944 0.878 . . . . 64.42 110.231 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.29 -36.04 82.82 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.884 -1.053 . . . . 73.21 111.196 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.496 HG23 ' HA ' ' A' ' 43' ' ' SER . 14.5 t -81.83 -31.2 31.8 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 119.067 -0.492 . . . . 73.24 112.119 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.0 m -67.01 -39.16 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 118.895 0.771 . . . . 74.44 110.288 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.423 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 25.1 mmt -79.78 -25.45 40.96 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.289 -0.414 . . . . 71.22 111.985 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.95 -30.0 63.52 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.277 -0.638 . . . . 75.51 109.277 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.577 ' HG2' HH22 ' A' ' 10' ' ' ARG . 50.0 tptt -73.88 -0.23 15.37 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.978 0.911 . . . . 74.14 110.76 171.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 72.53 10.51 5.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.832 1.653 . . . . 73.03 111.245 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.419 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 58.2 m 51.99 94.12 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.886 1.274 . . . . 70.41 110.521 -170.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 52' ' ' THR . 10.1 Cg_endo -50.28 120.32 6.1 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 123.232 2.622 . . . . 74.43 111.926 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -80.92 -4.21 12.62 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 123.124 2.549 . . . . 64.41 114.772 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.99 62.84 4.58 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 112.184 -0.366 . . . . 71.25 112.184 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.4 mm -120.47 123.25 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.546 1.139 . . . . 74.05 109.737 -169.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -76.12 167.52 21.71 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.708 0.403 . . . . 64.22 110.069 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -28.15 68.43 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.111 0.564 . . . . 74.25 111.853 -171.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.7 m -69.94 -48.22 59.27 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.235 0.614 . . . . 71.42 110.685 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.589 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 99.1 mt -68.9 -40.48 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 114.958 -1.019 . . . . 71.04 110.523 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.81 -36.1 80.15 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.537 1.135 . . . . 73.52 110.846 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.2 -39.52 68.54 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.604 -0.725 . . . . 52.22 110.64 177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.589 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 53.3 mtm -57.72 -54.48 46.37 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.156 0.503 . . . . 75.14 110.241 176.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.596 HG21 ' SD ' ' A' ' 464' ' ' MET . 33.0 m -74.8 -25.41 18.8 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 CA-C-N 115.143 -0.935 . . . . 62.51 112.104 -173.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.85 85.41 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.56 -0.533 . . . . 61.0 109.56 170.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.7 -42.49 97.2 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 115.711 -0.677 . . . . 73.53 112.312 171.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.79 -37.59 82.24 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.163 0.585 . . . . 73.13 111.921 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.527 ' HA ' HG22 ' A' ' 71' ' ' THR . 73.5 mt -72.08 -38.89 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.898 -0.779 . . . . 73.11 108.898 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.15 -38.45 79.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.981 0.512 . . . . 72.32 110.755 174.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -63.5 -53.25 55.0 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 123.407 0.442 . . . . 71.11 110.641 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 68' ' ' ILE . 14.5 t -65.91 -30.91 71.58 Favored 'General case' 0 C--O 1.211 -0.966 0 O-C-N 123.589 0.555 . . . . 75.2 111.084 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.68 -45.93 73.78 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.806 0.442 . . . . 74.44 111.272 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.6 -52.24 66.0 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.823 0.702 . . . . 74.51 110.151 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -67.33 -41.67 84.87 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.304 -0.862 . . . . 63.21 111.287 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 78' ' ' LEU . 34.2 tt0 -77.88 -20.91 52.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.688 0.795 . . . . 55.25 111.478 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -68.9 -40.38 79.16 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.382 0.673 . . . . 63.45 109.794 168.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.8 -32.95 65.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.381 -0.827 . . . . 71.14 110.715 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' A' ' 75' ' ' GLU . 90.6 mt -65.98 -38.43 88.53 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.998 0.519 . . . . 75.21 109.889 171.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -59.32 -58.22 9.57 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 116.091 -0.504 . . . . 75.22 110.069 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -61.49 -48.62 83.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 123.977 0.798 . . . . 73.31 113.201 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.68 -56.81 11.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.672 0.789 . . . . 74.14 110.534 -173.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.52 -29.43 69.51 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.418 0.449 . . . . 73.33 111.445 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.24 -41.17 94.61 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 122.776 0.431 . . . . 73.23 110.941 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 28.5 mt-30 -64.28 -44.49 91.52 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.684 -0.689 . . . . 75.21 110.028 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 2.4 mmp_? -58.84 -47.18 85.76 Favored 'General case' 0 C--O 1.208 -1.107 0 O-C-N 123.971 0.794 . . . . 74.44 110.428 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.85 -35.93 82.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.51 0.724 . . . . 75.41 111.666 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.07 -46.28 91.31 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-O 121.385 0.612 . . . . 72.52 110.397 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.6 mt-10 -65.83 -54.06 31.75 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.723 -1.126 . . . . 74.44 110.527 178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 90.3 mt -56.01 -43.05 77.36 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.3 1.04 . . . . 75.03 110.794 -177.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -59.9 -47.07 87.26 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.46 0.704 . . . . 75.54 110.86 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 21.3 t -63.5 -42.58 98.5 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.845 0.715 . . . . 74.3 110.667 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 95.9 mt -61.26 -47.96 83.63 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.032 0.933 . . . . 63.3 111.467 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.6 -41.01 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.133 0.973 . . . . 74.12 109.805 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.18 -34.31 88.69 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-N 115.757 -0.656 . . . . 73.21 113.29 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 91' ' ' SER . 12.6 mm100 -78.88 -35.35 43.82 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.113 0.565 . . . . 75.35 111.728 -176.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.8 -40.64 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 N-CA-C 112.306 0.484 . . . . 72.31 112.306 -173.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 107.048 -1.464 . . . . 73.43 107.048 173.526 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.568 -0.16 . . . . 74.1 110.568 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.17 -48.82 80.18 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.798 0.839 . . . . 74.25 111.162 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.2 mt-10 -63.16 -52.6 61.79 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 124.07 0.856 . . . . 74.52 111.247 -176.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.1 t -65.2 -42.23 93.74 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 123.303 0.377 . . . . 74.54 111.338 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 49.2 t -60.19 -43.35 93.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 109.643 -0.503 . . . . 72.13 109.643 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -60.81 -33.57 73.2 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.669 0.605 . . . . 73.5 112.133 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 21.3 mmt180 -73.68 -54.43 8.12 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.615 0.366 . . . . 73.31 110.499 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -66.02 -32.36 73.78 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.914 -0.584 . . . . 75.02 111.667 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -78.57 -37.88 41.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.866 0.866 . . . . 73.34 110.844 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.89 52.58 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.56 -0.533 . . . . 75.33 109.56 173.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -62.83 -33.63 75.63 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.927 -0.578 . . . . 74.51 111.246 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.09 -61.13 2.69 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 110.062 -0.347 . . . . 73.33 110.062 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 46.2 m -61.19 -35.73 77.97 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.929 0.892 . . . . 74.24 112.4 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.09 -47.84 55.9 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.585 0.754 . . . . 75.34 111.474 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 34' ' ' LEU . 10.9 mp -70.85 -19.29 62.66 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.648 0.379 . . . . 64.5 111.042 174.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.22 -44.71 17.39 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.68 0.792 . . . . 72.22 111.253 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.9 t -66.72 -35.35 79.9 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.898 -0.779 . . . . 71.24 108.898 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.59 ' HG2' HD21 ' A' ' 450' ' ' LEU . 26.2 ttt -62.54 -42.44 99.53 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 123.5 0.5 . . . . 72.51 110.285 172.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -53.52 57.19 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.195 0.998 . . . . 75.33 112.068 -177.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 23.7 p -65.29 -40.95 94.52 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 115.372 -0.831 . . . . 53.12 110.986 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -66.48 -44.54 82.4 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.607 -0.724 . . . . 75.42 111.147 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.59 HD21 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -72.4 -25.82 61.63 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.692 0.282 . . . . 74.52 110.604 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -67.95 -50.53 55.37 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 123.601 0.761 . . . . 75.05 109.72 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.49 -43.62 96.72 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.207 -0.906 . . . . 63.32 110.954 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.482 ' HB ' HG23 ' A' ' 44' ' ' ILE . 37.3 p -61.12 -62.86 1.54 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 116.022 -0.535 . . . . 73.12 110.0 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 81.1 p -52.87 -32.25 43.86 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.665 0.786 . . . . 64.24 112.225 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.3 t -60.1 -59.7 5.0 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 123.592 0.557 . . . . 74.3 111.234 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 2.6 p90 -73.51 -20.91 60.54 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 112.312 0.486 . . . . 74.5 112.312 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.579 HD21 HG21 ' A' ' 44' ' ' ILE . 73.9 mt -68.59 -41.25 79.89 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.093 0.557 . . . . 75.04 110.578 175.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.5 t -77.3 -28.0 53.14 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.014 0.196 . . . . 73.13 111.313 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.11 -53.22 60.36 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.647 0.737 . . . . 73.51 109.659 168.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.86 -34.56 77.62 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 114.122 -1.399 . . . . 70.21 111.074 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.41 -50.85 57.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.303 0.641 . . . . 74.21 111.062 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 25.6 m -62.7 -33.97 76.2 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 123.736 0.647 . . . . 73.2 110.664 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -70.59 -47.25 61.1 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.26 0.624 . . . . 64.04 111.518 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' MET . . . . . 0.596 ' SD ' HG21 ' A' ' 64' ' ' VAL . 56.2 ttm -70.63 -27.73 64.28 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.035 0.934 . . . . 74.31 111.179 -174.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -85.07 -60.81 1.93 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 108.512 -0.921 . . . . 74.24 108.512 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.21 78.53 1.65 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.828 0.451 . . . . 73.32 111.783 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.253 1.27 0 C-N-CA 123.58 0.752 . . . . 74.32 111.401 163.467 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 112.402 0.519 . . . . 72.24 112.402 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -65.43 -38.47 89.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.558 0.743 . . . . 74.31 111.283 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 8' ' ' ILE . 46.3 m -73.68 -37.26 65.28 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.219 -0.9 . . . . 74.3 111.49 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.8 -41.32 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 117.928 0.331 . . . . 74.13 111.007 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.78 -34.62 78.77 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 109.987 -0.375 . . . . 74.11 109.987 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 4' ' ' THR . 69.9 t80 -57.2 -55.16 38.31 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.912 0.885 . . . . 72.11 110.955 172.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 4' ' ' THR . 82.0 mt -54.94 -60.33 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 124.236 1.014 . . . . 63.41 111.185 -177.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 38.7 m-80 -60.2 -49.24 78.41 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.774 -1.103 . . . . 74.1 111.846 -174.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' HG13 ' A' ' 14' ' ' ILE . 84.1 mtm180 -68.0 -35.75 78.85 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 118.451 -0.785 . . . . 75.43 112.353 -173.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -63.13 -40.42 97.55 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.582 0.628 . . . . 75.4 110.898 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.83 -41.96 92.52 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.589 0.556 . . . . 74.24 110.501 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 23.3 mmt180 -61.98 -48.55 79.85 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.703 0.627 . . . . 75.54 110.334 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.4 mt -55.0 -42.19 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 124.468 1.107 . . . . 74.34 110.759 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.481 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . . . -69.15 -42.16 76.32 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.983 0.913 . . . . 71.42 112.131 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.52 -39.89 85.08 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.235 0.614 . . . . 74.4 110.373 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.3 mt -66.04 -50.5 63.97 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.866 0.866 . . . . 70.33 109.774 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 52.7 p -56.41 -44.82 80.7 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 124.579 1.174 . . . . 55.53 111.186 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -62.55 -51.06 68.86 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.98 0.8 . . . . 72.32 111.243 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.1 m -59.31 -51.61 69.21 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.79 0.682 . . . . 73.45 111.595 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.523 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.5 pp -74.69 -19.59 60.2 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.067 0.547 . . . . 73.35 111.876 -177.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -63.52 -47.18 82.72 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.295 -0.631 . . . . 73.04 109.295 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.58 -34.58 78.57 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.07 -0.968 . . . . 74.12 110.534 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.97 -44.43 69.49 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.731 0.812 . . . . 75.14 111.418 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.501 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -61.31 -41.92 97.8 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.681 0.792 . . . . 75.55 110.237 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.87 -33.77 74.33 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.752 -1.113 . . . . 74.5 111.076 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.614 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -79.47 -8.51 59.18 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.714 0.806 . . . . 73.11 111.333 178.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.83 9.54 86.19 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 123.181 0.3 . . . . 75.3 112.904 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.614 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 10.9 mm-40 -77.0 80.71 3.53 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.296 -1.002 . . . . 45.32 108.296 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -72.22 -40.3 67.9 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.213 0.605 . . . . 64.53 111.094 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.46 -41.16 98.62 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.649 0.593 . . . . 64.5 110.391 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.59 -33.34 62.62 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.39 -0.823 . . . . 71.33 111.064 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 21' ' ' LEU . 49.9 tp -60.59 -50.59 72.91 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.85 0.86 . . . . 74.34 110.126 174.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.431 HD22 HD12 ' A' ' 443' ' ' LEU . 78.7 mt -72.38 -26.34 61.85 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.429 1.092 . . . . 73.21 111.369 -176.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -61.01 -40.97 95.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.085 0.954 . . . . 73.44 109.986 172.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -88.94 -23.53 22.66 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.657 -0.702 . . . . 74.44 111.69 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -49.48 -57.89 6.19 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.109 1.364 . . . . 73.25 111.487 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.0 m -57.45 -45.18 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 124.708 1.255 . . . . 75.04 110.751 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.5 m -60.64 -45.83 92.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.982 0.913 . . . . 72.42 110.34 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.6 t80 -69.93 -64.43 0.89 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.13 1.372 . . . . 74.31 111.962 -171.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.85 -39.44 81.29 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.123 0.89 . . . . 74.4 111.02 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -65.62 -40.07 92.17 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.593 0.357 . . . . 72.33 111.316 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.2 m -60.63 -39.8 89.61 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.524 0.515 . . . . 74.11 111.394 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.642 HG21 HD23 ' A' ' 457' ' ' LEU . 69.6 mt -63.4 -48.91 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 121.163 0.506 . . . . 73.1 110.406 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.13 -42.3 90.28 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.079 -0.964 . . . . 73.11 111.515 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 t -77.45 -35.58 53.77 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 112.21 0.448 . . . . 73.45 112.21 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.96 -30.03 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 CA-C-N 118.446 0.566 . . . . 74.23 110.545 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.505 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 23.0 mmt -85.61 -19.75 30.54 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.165 0.586 . . . . 64.23 112.117 176.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -72.98 -28.01 62.14 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.086 -0.709 . . . . 74.25 109.086 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -68.71 -15.47 63.53 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 114.739 -1.119 . . . . 74.23 110.844 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 70.78 9.35 6.81 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.285 1.434 . . . . 74.12 111.143 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.3 m 65.07 109.32 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.41 0 C-N-CA 124.601 1.16 . . . . 73.24 110.648 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HG2' HD13 ' A' ' 56' ' ' ILE . 19.7 Cg_endo -56.22 132.63 53.07 Favored 'Trans proline' 0 C--N 1.381 2.28 0 C-N-CA 122.877 2.385 . . . . 72.01 112.458 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -60.77 -27.32 84.62 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 123.117 2.545 . . . . 74.23 114.202 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -85.71 60.54 4.66 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.462 -0.336 . . . . 55.32 113.439 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.505 HD13 ' HG2' ' A' ' 53' ' ' PRO . 39.8 mm -114.38 113.59 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.825 0.85 . . . . 71.13 108.854 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.3 t -74.27 169.85 16.78 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.971 0.508 . . . . 73.54 110.094 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -66.27 -25.82 67.05 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.141 0.576 . . . . 70.42 111.652 -171.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -75.65 -44.69 41.21 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.365 0.666 . . . . 74.14 110.887 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.58 ' HA ' ' HE1' ' A' ' 63' ' ' MET . 95.6 mt -67.31 -43.9 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.584 0.754 . . . . 75.11 109.641 176.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -54.64 -40.29 68.85 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.163 1.385 . . . . 73.11 111.237 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.38 -48.12 68.35 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.8 0.84 . . . . 73.44 110.987 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.58 ' HE1' ' HA ' ' A' ' 60' ' ' ILE . 59.1 mtm -58.36 -53.59 56.54 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.587 0.554 . . . . 73.51 110.32 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 68' ' ' ILE . 20.4 m -71.3 -25.89 25.96 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 CA-C-N 115.029 -0.987 . . . . 73.32 111.742 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.27 87.05 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.65 0.659 . . . . 75.22 109.778 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.65 -44.36 97.64 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 123.911 0.757 . . . . 72.25 111.737 170.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -67.52 -32.28 72.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.722 0.809 . . . . 73.45 112.257 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.559 ' HA ' HG23 ' A' ' 71' ' ' THR . 86.8 mt -75.43 -37.34 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 108.909 -0.775 . . . . 74.13 108.909 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -64.24 -33.01 74.82 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.375 0.27 . . . . 73.41 110.443 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 28.3 mt-30 -69.08 -51.91 33.87 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.092 0.557 . . . . 71.23 110.768 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.559 HG23 ' HA ' ' A' ' 68' ' ' ILE . 14.0 t -64.01 -35.35 80.43 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.441 0.463 . . . . 74.44 110.775 -175.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.72 -44.24 74.28 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.443 0.697 . . . . 52.42 111.421 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.76 -54.77 42.42 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.933 0.77 . . . . 72.23 110.56 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 9.4 m120 -68.14 -38.59 82.34 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.239 -0.892 . . . . 70.15 110.847 -173.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.528 ' HA ' HD11 ' A' ' 78' ' ' LEU . 36.1 tt0 -75.66 -25.15 56.54 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.702 0.801 . . . . 74.41 111.869 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -69.79 -40.62 75.89 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.348 -0.612 . . . . 75.32 109.348 170.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.42 -33.33 72.82 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.665 -0.698 . . . . 73.51 110.472 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 75' ' ' GLU . 92.3 mt -67.0 -37.58 84.46 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.563 0.745 . . . . 74.24 110.16 172.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -59.25 -54.02 51.6 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 123.704 0.628 . . . . 75.13 109.968 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.31 -47.77 84.89 Favored Glycine 0 C--N 1.348 1.22 0 O-C-N 123.829 0.706 . . . . 62.2 112.784 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.2 -59.9 4.6 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.482 1.113 . . . . 74.2 110.469 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.57 -28.12 67.51 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 123.482 0.713 . . . . 74.12 111.29 -175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.72 -44.89 96.05 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 118.318 0.508 . . . . 74.35 110.523 174.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -58.96 -46.41 88.11 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.884 0.74 . . . . 74.12 110.386 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.4 mmp_? -60.04 -50.0 75.43 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 124.328 1.017 . . . . 71.52 110.895 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.53 -35.04 78.18 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.296 1.039 . . . . 75.22 111.852 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.27 -48.05 81.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.869 0.731 . . . . 71.43 109.559 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.49 -45.57 79.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.83 0.852 . . . . 72.53 111.372 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 93' ' ' ILE . 97.5 mt -60.32 -52.28 65.94 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.914 0.759 . . . . 70.52 109.883 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.0 t -59.2 -39.13 81.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.118 0.967 . . . . 74.32 111.722 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.5 t -63.83 -33.26 75.28 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.648 0.592 . . . . 72.2 110.814 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.9 mt -84.56 -30.88 24.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.939 0.895 . . . . 73.51 111.898 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 89' ' ' LEU . 96.9 mt -66.94 -52.58 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.402 0.681 . . . . 73.12 110.159 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.8 -25.4 58.95 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.843 0.714 . . . . 75.14 113.946 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -70.37 -53.44 16.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.158 0.583 . . . . 65.45 110.516 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.513 HG21 HG21 ' A' ' 433' ' ' VAL . 26.9 m -83.55 -21.86 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.74 0.816 . . . . 75.04 112.495 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 107.369 -1.345 . . . . 73.23 107.369 -177.359 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.939 -0.393 . . . . 74.13 109.939 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.02 -44.89 83.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.147 0.579 . . . . 71.5 111.196 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.6 mt-10 -63.91 -56.34 15.99 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.096 0.873 . . . . 73.0 110.409 -176.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.9 t -60.82 -40.42 92.67 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 123.698 0.623 . . . . 72.34 111.604 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . 0.513 HG21 HG21 ' A' ' 96' ' ' VAL . 55.7 t -60.39 -49.78 82.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 N-CA-C 109.029 -0.73 . . . . 61.42 109.029 174.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.91 -29.07 69.99 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.893 0.877 . . . . 61.23 112.346 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.1 mmt180 -68.39 -57.08 6.43 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 109.486 -0.561 . . . . 73.04 109.486 178.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -70.1 -25.57 63.57 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.602 -0.726 . . . . 75.31 111.627 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -72.12 -45.78 59.22 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.057 0.943 . . . . 74.05 109.714 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.55 -52.92 59.01 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 123.802 0.689 . . . . 51.24 109.7 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -55.47 -41.33 72.81 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.061 0.851 . . . . 64.11 111.459 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.44 -63.89 1.05 Allowed 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 118.899 -0.572 . . . . 74.4 109.935 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 44.1 m -55.35 -34.71 64.51 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.387 1.075 . . . . 73.13 112.374 -173.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -70.58 -50.78 33.73 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.79 0.836 . . . . 74.24 111.432 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.431 HD12 HD22 ' A' ' 34' ' ' LEU . 9.4 mp -74.0 -18.47 60.85 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 122.636 0.374 . . . . 74.25 111.009 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.23 -44.24 18.06 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.593 1.157 . . . . 75.24 110.527 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.7 t -67.65 -32.95 73.99 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 109.341 -0.614 . . . . 72.4 109.341 172.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.474 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.7 ttt -62.5 -44.08 97.24 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 109.756 -0.461 . . . . 74.43 109.756 171.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 36.7 tpp -60.47 -50.28 74.2 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.397 1.079 . . . . 74.51 112.037 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 8.6 p -66.58 -40.68 89.07 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.479 -0.782 . . . . 73.41 111.304 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.57 -36.22 70.85 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 119.068 -0.491 . . . . 74.51 111.425 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.474 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -73.75 -23.93 59.81 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.798 0.332 . . . . 70.44 110.16 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.4 -53.14 25.75 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.335 0.654 . . . . 62.43 109.541 172.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -56.17 -47.02 79.08 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 124.518 1.127 . . . . 64.52 111.253 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.442 ' HB ' HG23 ' A' ' 44' ' ' ILE . 34.0 p -62.13 -61.26 2.59 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.016 -0.993 . . . . 72.3 109.962 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.1 p -53.19 -29.53 32.44 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.463 0.705 . . . . 72.23 112.843 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 71.2 m -59.83 -62.44 1.87 Allowed 'General case' 0 C--O 1.247 0.962 0 C-N-CA 122.919 0.488 . . . . 74.02 110.554 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 3.7 p90 -73.86 -21.2 60.19 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.551 0.575 . . . . 74.21 112.551 -178.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.642 HD23 HG21 ' A' ' 44' ' ' ILE . 66.6 mt -69.47 -42.41 74.89 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.568 0.747 . . . . 74.52 110.621 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 3.7 t -75.8 -33.18 60.12 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 123.542 0.526 . . . . 64.4 110.692 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -62.76 -42.96 99.92 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.443 0.464 . . . . 72.51 110.306 171.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . 0.473 ' HG2' ' HE1' ' A' ' 48' ' ' MET . 25.9 tp60 -62.79 -40.37 97.13 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.145 -0.934 . . . . 71.4 110.393 175.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -64.48 -40.34 95.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.147 0.579 . . . . 73.4 110.37 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 57.7 m -63.81 -45.21 90.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.417 0.687 . . . . 75.32 110.603 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.66 -50.74 23.05 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.052 0.453 . . . . 74.42 111.814 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' MET . . . . . 0.451 ' SD ' HG21 ' A' ' 64' ' ' VAL . 59.0 ttm -63.47 -33.02 74.64 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.834 0.854 . . . . 72.43 111.513 -174.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -89.18 -56.45 3.27 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 122.637 0.375 . . . . 61.33 110.046 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 78.53 1.78 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 112.316 0.487 . . . . 73.24 112.316 174.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 CA--C 1.56 1.339 0 O-C-N 121.578 -0.702 . . . . 70.41 110.708 167.266 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 112.199 0.444 . . . . 74.01 112.199 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -68.54 -35.79 77.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.218 0.607 . . . . 70.42 110.994 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.424 ' O ' HG13 ' A' ' 8' ' ' ILE . 76.1 m -73.38 -41.93 62.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.844 -0.616 . . . . 72.42 111.331 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.39 -38.07 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 117.827 0.285 . . . . 74.54 110.988 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.54 -37.86 83.34 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 109.57 -0.53 . . . . 72.53 109.57 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.446 ' HE1' HG21 ' A' ' 52' ' ' THR . 60.9 t80 -53.55 -55.49 25.11 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.112 0.965 . . . . 74.2 110.547 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.468 HG12 HG22 ' A' ' 60' ' ' ILE . 92.4 mt -55.72 -57.98 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.136 0.974 . . . . 65.25 111.463 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.454 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 88.6 m-20 -57.08 -46.6 82.39 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.606 1.191 . . . . 74.42 111.737 -172.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' ILE . 62.3 mtm180 -74.76 -32.04 61.96 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 118.41 -0.805 . . . . 74.33 111.663 -174.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.402 ' HH2' HD23 ' A' ' 457' ' ' LEU . 51.2 m95 -64.68 -37.79 88.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 118.542 0.61 . . . . 74.24 110.64 171.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -60.44 -44.48 95.78 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 123.69 0.618 . . . . 72.25 109.779 173.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 44.3 mmt-85 -58.89 -49.85 76.23 Favored 'General case' 0 C--N 1.359 1.02 0 O-C-N 123.578 0.549 . . . . 74.14 109.883 175.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.9 mt -55.58 -44.69 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.137 0.975 . . . . 72.3 111.164 -175.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.59 -47.35 32.88 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 123.619 0.768 . . . . 72.14 112.62 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.5 mt -71.99 -38.82 69.62 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.308 -0.405 . . . . 74.33 110.439 -176.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.7 mt -69.78 -40.4 76.06 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 118.404 -0.808 . . . . 64.44 110.663 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 70.3 p -59.6 -43.78 93.61 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.521 0.513 . . . . 74.54 110.545 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.03 -43.26 99.18 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 123.89 0.744 . . . . 72.04 110.704 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -63.16 -52.59 61.79 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.377 0.671 . . . . 74.54 112.02 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.576 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.0 pp -71.4 -22.34 61.88 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.847 0.459 . . . . 74.3 111.433 -177.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.86 -44.9 88.21 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 122.762 0.425 . . . . 72.33 110.16 172.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -57.64 -45.65 85.19 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.021 0.826 . . . . 74.22 110.092 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 32' ' ' LEU . 55.5 mt -64.82 -32.49 74.21 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.847 0.859 . . . . 75.22 111.7 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB1' HD13 ' A' ' 33' ' ' LEU . . . -72.5 -46.43 54.72 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.658 0.783 . . . . 64.24 110.813 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.44 -17.6 59.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.053 0.541 . . . . 74.43 111.855 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -85.81 -26.54 25.67 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.807 0.443 . . . . 74.4 110.065 169.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.52 1.66 50.18 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-O 118.927 -0.93 . . . . 75.05 114.684 174.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -68.54 88.43 0.34 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.477 1.138 . . . . 74.32 109.985 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -68.5 -36.87 79.5 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 123.054 0.541 . . . . 75.44 110.173 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.56 -46.85 80.49 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.463 0.705 . . . . 74.02 111.062 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' HB3' HD13 ' A' ' 24' ' ' LEU . 85.5 mt -75.62 -35.59 60.45 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.736 -0.665 . . . . 74.04 111.167 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 21' ' ' LEU . 60.4 tp -57.56 -46.18 84.27 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.786 0.835 . . . . 74.54 110.432 173.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -77.38 -25.17 50.67 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.217 1.007 . . . . 71.15 111.36 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -65.0 -39.58 93.67 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.256 0.55 . . . . 73.32 109.579 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -87.58 -19.0 28.42 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.415 -0.811 . . . . 73.23 111.63 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.3 -59.92 3.27 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.044 0.937 . . . . 64.45 111.339 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.8 m -59.19 -42.7 87.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 CA-C-N 114.777 -1.102 . . . . 74.12 111.243 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 m -61.09 -47.05 88.09 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.84 0.856 . . . . 71.11 110.479 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 26.5 t80 -69.62 -61.32 1.83 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.52 1.528 . . . . 74.11 111.869 -172.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.24 -40.53 86.23 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.028 0.83 . . . . 75.45 110.951 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.91 -40.92 99.07 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.428 0.455 . . . . 74.43 111.587 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 m -60.64 -41.09 94.24 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.411 0.444 . . . . 63.41 111.226 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.48 HG23 HD21 ' A' ' 457' ' ' LEU . 58.5 mt -63.89 -44.46 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-O 121.44 0.638 . . . . 75.41 110.08 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -57.51 -47.55 81.65 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.795 -1.093 . . . . 75.03 111.323 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -77.36 -30.35 53.79 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.478 0.547 . . . . 72.55 112.478 -171.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.28 -31.68 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 CA-C-N 118.682 0.674 . . . . 63.21 110.241 172.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.459 ' HE3' ' HG3' ' A' ' 460' ' ' GLN . 25.4 mmt -82.78 -24.94 33.21 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 112.622 0.601 . . . . 74.21 112.622 176.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.17 -29.33 63.91 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.912 0.485 . . . . 72.24 110.047 171.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -88.47 18.51 4.47 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.905 0.882 . . . . 73.3 110.419 168.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 48.89 14.89 0.08 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 127.152 2.181 . . . . 75.12 115.792 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.446 HG21 ' HE1' ' A' ' 7' ' ' PHE . 98.7 m 56.86 94.04 0.05 OUTLIER Pre-proline 0 CA--C 1.561 1.385 0 C-N-CA 123.789 0.835 . . . . 74.41 109.971 -168.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.441 ' O ' HG12 ' A' ' 56' ' ' ILE . 16.9 Cg_endo -55.67 136.83 76.11 Favored 'Trans proline' 0 C--N 1.385 2.464 0 C-N-CA 122.8 2.334 . . . . 71.04 111.822 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -73.56 -9.6 22.93 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.672 2.248 . . . . 75.11 113.393 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.92 58.54 5.03 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 112.09 -0.404 . . . . 62.54 112.09 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 53' ' ' PRO . 45.1 mm -123.43 115.43 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.694 1.198 . . . . 74.25 108.675 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -74.95 174.29 9.49 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.027 0.531 . . . . 75.35 110.293 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -28.63 67.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.679 0.392 . . . . 75.4 111.211 -175.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -70.32 -47.75 59.67 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.543 0.737 . . . . 71.42 110.531 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.682 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 93.6 mt -67.41 -39.0 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.098 -0.955 . . . . 73.31 109.842 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.07 -40.74 90.56 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.973 0.909 . . . . 75.31 111.091 175.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.27 -50.25 73.79 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.612 0.57 . . . . 74.44 110.187 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.682 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 49.6 mtm -55.08 -54.37 44.01 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 124.258 0.974 . . . . 75.15 110.46 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.5 m -75.32 -28.09 20.01 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 CA-C-O 118.624 -0.703 . . . . 72.22 112.551 -171.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.34 82.32 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.3 -0.629 . . . . 70.13 109.3 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.99 -36.92 92.68 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.541 -0.754 . . . . 65.12 112.108 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.451 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 21.5 m-85 -68.67 -36.53 78.65 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.169 0.588 . . . . 71.21 111.399 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 64' ' ' VAL . 52.3 mt -71.99 -38.87 65.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 108.898 -0.778 . . . . 73.33 108.898 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -55.7 -48.6 74.84 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.335 0.654 . . . . 74.25 110.622 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.36 -50.83 71.32 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 115.33 -0.85 . . . . 75.25 111.021 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.51 HG21 ' HA ' ' A' ' 68' ' ' ILE . 7.5 t -63.53 -40.17 96.34 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 123.584 0.553 . . . . 71.13 110.823 -174.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.38 -42.06 98.83 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.429 0.692 . . . . 70.11 111.109 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.67 -56.92 14.56 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.785 0.678 . . . . 73.12 110.421 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -66.01 -38.56 88.78 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.508 -0.769 . . . . 75.25 111.792 -173.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' HA ' HD13 ' A' ' 78' ' ' LEU . 37.0 tt0 -77.27 -27.7 53.23 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.112 0.965 . . . . 73.51 111.463 -176.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -66.22 -41.06 90.65 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.123 0.569 . . . . 65.44 109.814 169.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.3 -32.53 72.73 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.445 -0.798 . . . . 73.41 110.941 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 75' ' ' GLU . 96.0 mt -64.63 -45.86 85.04 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.946 0.498 . . . . 73.13 110.004 172.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -53.34 -52.49 59.04 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 123.974 0.796 . . . . 71.24 110.451 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -66.51 -49.31 57.06 Favored Glycine 0 C--N 1.351 1.416 0 O-C-N 123.941 0.776 . . . . 62.31 113.496 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.99 -55.97 27.47 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.464 1.105 . . . . 72.51 110.369 -176.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.41 HD23 HD21 ' A' ' 443' ' ' LEU . 62.6 mt -68.02 -27.03 66.2 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.236 -0.893 . . . . 74.14 110.581 -177.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.08 -44.13 97.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.65 0.38 . . . . 73.14 110.244 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 22.1 mt-30 -58.79 -51.48 69.82 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.212 0.945 . . . . 64.13 109.557 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -59.98 -44.65 94.35 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.948 -1.024 . . . . 74.42 111.899 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 443' ' ' LEU . 73.7 mt -73.04 -31.3 64.34 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.517 0.727 . . . . 71.31 111.646 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.06 -40.93 95.45 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.685 0.615 . . . . 75.12 109.377 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 34.5 mt-10 -69.51 -47.05 65.05 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.159 0.912 . . . . 75.23 110.89 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 93' ' ' ILE . 89.8 mt -59.23 -49.54 77.44 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.186 0.594 . . . . 74.25 110.004 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.7 t -60.52 -38.14 83.44 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.66 0.784 . . . . 74.23 111.303 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.8 t -63.24 -33.11 74.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.018 0.527 . . . . 71.3 110.864 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 85.9 mt -73.47 -49.14 28.32 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.15 0.58 . . . . 75.43 109.628 175.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 89' ' ' LEU . 89.2 mt -58.71 -41.53 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 124.476 1.11 . . . . 75.41 111.79 -174.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.29 -23.55 71.7 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 121.906 -0.188 . . . . 52.41 113.427 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -100.03 -29.84 12.31 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.272 0.629 . . . . 73.34 112.002 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 433' ' ' VAL . 23.4 m -97.08 -32.41 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 122.846 0.458 . . . . 74.53 111.21 -175.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 106.312 -1.736 . . . . 75.0 106.312 172.348 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.222 -0.288 . . . . 74.54 110.222 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.63 -46.49 70.51 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 123.421 0.689 . . . . 74.24 110.967 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -70.59 -50.07 41.15 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.736 -1.12 . . . . 65.54 111.34 -172.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.3 t -68.58 -40.44 80.52 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 123.487 0.492 . . . . 61.31 111.455 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . 0.471 HG23 HG22 ' A' ' 96' ' ' VAL . 55.5 t -66.7 -38.24 81.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.551 0 C-N-CA 123.314 0.646 . . . . 74.34 109.716 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -67.73 -29.08 68.23 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.091 0.556 . . . . 64.41 111.228 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -72.0 -45.06 62.32 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.671 0.388 . . . . 74.23 110.368 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -64.73 -39.63 93.97 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.469 0.48 . . . . 75.31 110.649 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.87 -39.99 83.63 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.944 1.297 . . . . 75.53 110.511 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -66.36 -57.18 8.01 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.966 0.507 . . . . 71.42 110.645 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -61.24 -34.54 75.3 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.936 0.773 . . . . 75.4 110.673 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -62.17 -64.99 0.76 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 109.233 -0.654 . . . . 74.01 109.233 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 34.3 m -58.76 -34.32 71.28 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.31 1.044 . . . . 71.33 112.401 -171.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.05 -58.05 7.07 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.537 0.735 . . . . 72.53 111.334 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.519 ' HB2' HD21 ' A' ' 86' ' ' LEU . 7.9 mp -70.57 -18.73 62.91 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.12 0.568 . . . . 72.01 110.825 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.37 -53.35 8.28 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.145 1.378 . . . . 74.13 110.835 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.0 t -67.06 -30.82 70.98 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 123.511 0.507 . . . . 74.4 109.69 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.632 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.4 ttt -59.96 -47.98 83.57 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 123.865 0.728 . . . . 70.32 109.396 173.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.625 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 47.3 ttm -64.06 -46.97 81.98 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.285 0.991 . . . . 75.0 112.152 -175.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 7.8 p -63.71 -37.12 86.16 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 123.557 0.536 . . . . 54.13 111.201 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -71.82 -40.95 68.75 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 119.241 -0.409 . . . . 74.15 111.231 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.632 HD22 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -77.46 -21.28 53.15 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 117.941 0.337 . . . . 74.14 111.135 -175.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -82.35 -38.25 24.5 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.095 -0.706 . . . . 74.21 109.095 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -57.61 -50.06 74.39 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.891 0.876 . . . . 75.24 109.787 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 41.6 p -63.54 -61.61 2.21 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 115.063 -0.971 . . . . 75.32 109.763 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 77.6 p -51.27 -32.02 23.21 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.497 0.719 . . . . 62.43 112.824 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -63.14 -62.24 1.84 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 122.898 0.479 . . . . 72.13 110.574 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -70.9 -20.74 62.47 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.067 0.395 . . . . 73.33 112.067 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.48 HD21 HG23 ' A' ' 44' ' ' ILE . 65.2 mt -71.92 -43.46 65.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.776 0.83 . . . . 75.01 110.549 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.5 t -72.08 -33.34 67.82 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.303 0.377 . . . . 74.45 110.673 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -62.4 -50.2 72.47 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.048 0.452 . . . . 74.43 110.113 171.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . 0.459 ' HG3' ' HE3' ' A' ' 48' ' ' MET . 16.0 tm0? -64.47 -36.33 83.82 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.189 -0.914 . . . . 75.05 110.076 -177.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . 0.53 ' HB2' HG23 ' A' ' 68' ' ' ILE . 40.9 t80 -65.0 -45.21 86.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.674 0.79 . . . . 74.32 110.482 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 52.0 m -59.94 -38.37 82.22 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.121 0.888 . . . . 61.3 110.136 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.17 -51.19 18.77 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.864 0.466 . . . . 55.21 111.724 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.1 ttm -60.33 -34.73 74.24 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.915 0.886 . . . . 72.13 110.783 -174.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -86.6 -67.71 0.79 Allowed 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.158 -0.928 . . . . 74.15 109.06 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 78.0 1.69 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 118.069 0.395 . . . . 74.31 112.026 175.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 C--O 1.255 1.348 0 CA-C-O 118.965 -0.54 . . . . 73.15 111.233 171.813 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 112.105 0.409 . . . . 63.53 112.105 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -64.7 -41.14 96.23 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.84 0.856 . . . . 74.51 111.809 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.494 ' O ' HG13 ' A' ' 8' ' ' ILE . 33.4 m -74.54 -36.63 63.13 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.538 -0.755 . . . . 75.41 111.385 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.4 p -76.95 -39.22 29.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 119.501 -0.285 . . . . 73.31 110.516 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.99 -36.04 82.68 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.425 -0.583 . . . . 74.43 109.425 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.456 ' HB3' ' O ' ' A' ' 4' ' ' THR . 63.0 t80 -55.63 -57.71 10.82 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.501 1.12 . . . . 75.13 111.448 172.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 4' ' ' THR . 66.1 mt -57.28 -58.19 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 123.952 0.901 . . . . 74.2 110.746 -177.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 82.3 m-20 -52.93 -53.45 49.34 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 125.144 1.527 . . . . 73.14 111.592 -174.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.486 HH21 ' HD3' ' A' ' 50' ' ' LYS . 87.3 mtm180 -73.07 -36.21 66.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 118.415 -0.802 . . . . 73.25 112.846 -171.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -62.42 -40.88 97.99 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.769 0.713 . . . . 75.43 110.37 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -59.08 -43.82 91.83 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.235 1.014 . . . . 70.41 110.047 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 78.9 mmt-85 -62.48 -44.55 96.11 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.868 0.73 . . . . 73.11 111.009 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 10' ' ' ARG . 75.7 mt -60.87 -41.78 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 124.052 0.845 . . . . 74.31 111.24 -177.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.75 89.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.051 0.54 . . . . 70.24 111.523 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.32 -43.65 94.02 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.404 -0.816 . . . . 75.44 110.922 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 86.1 mt -67.31 -49.16 65.26 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.7 0.8 . . . . 71.12 110.463 -176.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.8 p -58.38 -46.27 86.65 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 124.243 0.964 . . . . 73.33 111.289 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -61.27 -44.2 97.63 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 124.193 0.933 . . . . 75.02 111.01 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.5 m -61.2 -54.23 46.85 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 123.887 0.742 . . . . 73.25 111.266 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.53 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -72.86 -19.02 61.38 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.098 0.559 . . . . 75.13 111.977 -175.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 74' ' ' ASN . 61.4 tp -68.94 -44.97 71.94 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.545 -0.539 . . . . 75.03 109.545 171.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.1 -38.81 77.16 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.109 0.881 . . . . 42.25 110.142 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 21' ' ' LEU . 59.1 mt -68.1 -43.88 77.48 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.403 -0.817 . . . . 74.03 111.112 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.08 88.95 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.568 0.747 . . . . 64.41 111.41 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -75.6 -29.61 59.3 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 123.349 0.405 . . . . 75.31 110.504 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.591 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -71.81 -22.73 61.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.54 0.736 . . . . 71.43 111.666 173.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 10.53 65.39 Favored Glycine 0 C--N 1.343 0.969 0 O-C-N 123.246 0.341 . . . . 62.42 112.85 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 17.6 mm-40 -75.48 82.07 2.53 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.724 0.81 . . . . 73.43 109.229 175.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.507 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 7.5 m95 -70.51 -44.26 67.94 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 122.778 0.431 . . . . 72.24 110.462 -177.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.44 -48.83 68.45 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.947 0.899 . . . . 74.42 111.417 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.76 -38.11 83.01 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.186 -0.915 . . . . 75.31 110.643 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' A' ' 21' ' ' LEU . 54.8 tp -61.24 -37.78 84.3 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.387 1.075 . . . . 71.45 111.078 175.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 83.2 mt -72.59 -33.71 66.91 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.218 1.007 . . . . 72.4 111.334 -178.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.67 -40.39 94.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.495 0.664 . . . . 73.43 109.88 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -82.48 -19.43 38.84 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.522 -1.217 . . . . 73.44 111.729 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.58 -62.12 1.86 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.193 0.997 . . . . 75.43 111.353 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.5 -41.27 89.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 115.018 -0.992 . . . . 75.14 112.039 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.4 p -70.08 -52.42 24.05 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.536 0.734 . . . . 71.43 110.684 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -60.27 -50.88 71.87 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.466 1.106 . . . . 71.12 111.969 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.638 ' HB3' ' HZ2' ' A' ' 449' ' ' LYS . 96.0 mt -61.92 -42.55 99.22 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.694 0.622 . . . . 74.51 110.459 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.97 -36.63 77.54 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.195 0.598 . . . . 73.1 111.394 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.4 m -62.78 -37.54 87.08 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.313 0.645 . . . . 63.04 110.394 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.51 ' HA ' HG23 ' A' ' 47' ' ' VAL . 46.1 mt -72.12 -38.24 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 CA-C-N 115.651 -0.704 . . . . 74.13 110.866 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.93 -43.67 86.42 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.675 0.39 . . . . 75.35 111.256 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.429 HG23 ' HD2' ' A' ' 10' ' ' ARG . 13.9 t -78.33 -25.73 46.56 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 123.186 0.304 . . . . 74.35 111.554 -174.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' HA ' ' A' ' 44' ' ' ILE . 32.6 m -78.38 -18.58 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.698 -0.626 . . . . 75.14 111.385 170.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.1 mmt -86.1 -21.31 27.72 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.776 0.43 . . . . 74.13 111.104 171.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -73.27 -31.63 64.19 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 122.883 0.473 . . . . 74.21 110.231 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HG2' ' HA ' ' A' ' 47' ' ' VAL . 16.2 pttp -85.65 -19.55 30.77 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.705 0.402 . . . . 72.2 110.745 172.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 60.81 -89.46 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.868 1.267 . . . . 65.13 109.286 -167.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 m -174.57 106.54 0.28 Allowed Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.087 1.755 . . . . 70.32 106.963 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 56' ' ' ILE . 51.2 Cg_exo -58.76 139.92 92.81 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.71 2.273 . . . . 74.3 112.73 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.09 -28.25 87.29 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.97 2.447 . . . . 73.01 113.924 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.45 66.76 3.62 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 122.987 0.18 . . . . 71.51 113.531 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 53' ' ' PRO . 48.6 mm -126.01 120.5 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.49 1.116 . . . . 74.24 108.023 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -77.29 174.47 10.74 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.644 0.378 . . . . 73.44 111.133 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.489 ' HD2' ' H ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -66.13 -34.27 77.66 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.343 1.057 . . . . 71.25 112.323 -174.242 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.489 ' H ' ' HD2' ' A' ' 58' ' ' ARG . 49.9 m -72.09 -44.8 62.67 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.864 0.466 . . . . 72.11 110.758 -178.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.658 ' HA ' ' HE3' ' A' ' 63' ' ' MET . 94.8 mt -67.91 -40.0 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.044 0.938 . . . . 75.24 110.259 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -61.5 -38.22 86.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.233 1.013 . . . . 73.21 110.48 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.08 -51.27 64.86 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.268 0.627 . . . . 74.4 111.184 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.658 ' HE3' ' HA ' ' A' ' 60' ' ' ILE . 44.6 mtm -55.87 -53.06 61.36 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 123.823 0.702 . . . . 75.5 110.513 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 68' ' ' ILE . 31.9 m -71.27 -31.27 43.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 CA-C-N 115.311 -0.859 . . . . 74.24 112.086 -173.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.04 85.79 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.164 0.438 . . . . 75.23 109.916 173.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.7 -42.43 98.66 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.767 -0.651 . . . . 63.44 111.752 172.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.405 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 22.4 m-85 -65.36 -39.6 92.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.556 0.742 . . . . 73.43 111.848 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 64' ' ' VAL . 72.9 mt -72.03 -39.9 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.333 -0.618 . . . . 75.03 109.333 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.8 -40.49 95.41 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.327 0.251 . . . . 70.31 110.434 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -59.47 -53.17 61.25 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.028 0.83 . . . . 73.05 110.081 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 t -67.26 -30.09 69.89 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 124.274 0.984 . . . . 75.31 111.386 -172.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.73 -46.24 72.74 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.455 0.702 . . . . 75.14 110.722 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.2 -46.94 78.7 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.195 0.934 . . . . 75.11 110.496 -177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.428 ' HA ' HD21 ' A' ' 22' ' ' LEU . 13.6 m120 -62.88 -46.45 87.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.526 0.73 . . . . 75.52 110.52 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.495 ' HA ' HD11 ' A' ' 78' ' ' LEU . 36.1 tt0 -72.83 -22.61 60.77 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.25 1.02 . . . . 71.43 111.939 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.14 -45.35 73.81 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.454 0.702 . . . . 65.41 109.612 170.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.33 -27.39 65.32 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.731 -0.668 . . . . 71.41 110.946 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' A' ' 75' ' ' GLU . 91.0 mt -66.71 -47.35 72.62 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.146 0.579 . . . . 73.51 109.736 170.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 447' ' ' MET . 64.3 tttp -53.63 -49.28 68.22 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.133 0.896 . . . . 75.3 110.537 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.438 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -65.65 -59.35 7.77 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.307 0.379 . . . . 75.15 113.071 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.85 -50.08 75.17 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.18 0.992 . . . . 72.05 111.239 -172.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 68.9 mt -72.05 -27.9 63.0 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 118.656 -0.688 . . . . 72.5 111.377 -177.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.412 ' N ' ' HE3' ' A' ' 447' ' ' MET . 10.2 tt0 -64.71 -37.02 86.16 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 118.489 0.586 . . . . 75.53 110.463 174.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 22.5 mt-30 -61.68 -49.34 76.91 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.076 0.86 . . . . 74.33 109.212 174.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -54.43 -46.11 73.17 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.443 1.089 . . . . 72.41 111.53 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 83.7 mt -65.66 -39.2 91.1 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.948 0.78 . . . . 74.54 111.398 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.25 -42.07 96.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.357 0.663 . . . . 63.1 110.33 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.2 mt-10 -65.83 -55.05 19.12 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.044 -0.98 . . . . 61.14 110.588 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.71 -33.31 75.66 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.763 0.825 . . . . 75.1 111.739 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 t -64.83 -42.42 94.97 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.285 0.634 . . . . 75.34 110.067 176.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 28.0 t -63.57 -43.04 98.15 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.659 -0.701 . . . . 63.31 110.205 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 98.1 mt -64.17 -43.11 96.14 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.612 0.765 . . . . 74.11 111.649 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.74 -42.68 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.581 0.752 . . . . 71.34 109.402 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.35 -27.41 71.61 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.487 -0.778 . . . . 63.31 113.954 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.4 mm100 -86.33 -45.56 11.11 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.404 0.682 . . . . 73.1 111.687 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.68 -33.83 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 111.876 0.324 . . . . 74.44 111.876 -173.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 108.168 -1.049 . . . . 74.33 108.168 -178.599 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 110.127 -0.323 . . . . 71.22 110.127 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.76 -42.89 94.27 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 123.163 0.585 . . . . 75.14 111.135 172.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.7 mt-10 -67.99 -35.58 78.58 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.761 0.663 . . . . 71.42 110.735 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.9 m -57.08 -52.9 63.44 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.949 0.899 . . . . 73.05 110.638 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.78 -37.11 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 114.318 -1.31 . . . . 74.35 110.807 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.03 89.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.012 0.525 . . . . 73.14 111.092 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 28.0 mmt180 -66.12 -55.45 16.39 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.61 0.569 . . . . 72.15 110.066 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -66.49 -41.95 88.14 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.225 -0.898 . . . . 75.21 112.043 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -76.33 -28.62 56.96 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.774 0.671 . . . . 72.11 110.848 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.84 -59.7 4.96 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.398 -0.593 . . . . 65.44 109.398 171.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -62.47 -35.72 80.22 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.617 -0.719 . . . . 71.11 110.921 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -68.12 -64.64 0.82 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 123.095 0.558 . . . . 75.43 110.271 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.6 m -58.37 -33.37 69.51 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.408 1.083 . . . . 74.24 112.245 -171.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.403 ' HB3' HD23 ' A' ' 34' ' ' LEU . 19.1 mt-30 -73.81 -53.39 10.37 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.327 0.651 . . . . 74.14 110.923 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.21 -20.1 66.28 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 117.577 0.171 . . . . 72.52 111.278 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -80.26 -46.06 16.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.875 1.27 . . . . 75.54 111.066 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.0 t -67.11 -36.67 82.43 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 109.574 -0.528 . . . . 74.53 109.574 174.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.613 ' HG2' HD21 ' A' ' 450' ' ' LEU . 25.3 ttt -60.12 -43.08 95.93 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.932 0.77 . . . . 73.33 109.663 174.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.589 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 4.2 ttm -67.95 -51.1 51.49 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.026 0.829 . . . . 65.43 112.908 -176.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 57.2 p -58.35 -40.73 82.96 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.76 0.663 . . . . 54.35 110.35 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . 0.638 ' HZ2' ' HB3' ' A' ' 41' ' ' LEU . 8.1 mtpm? -69.82 -45.74 67.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.12 -0.946 . . . . 75.02 110.883 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.613 HD21 ' HG2' ' A' ' 446' ' ' MET . 2.6 pp -73.08 -20.97 60.85 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 118.24 0.473 . . . . 64.14 111.309 -172.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -76.49 -45.42 31.09 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.981 -0.748 . . . . 71.4 108.981 174.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -58.09 -42.8 86.4 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.07 0.856 . . . . 74.32 110.444 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 456' ' ' TYR . 67.4 p -66.67 -59.5 3.54 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 123.785 0.678 . . . . 64.4 109.869 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.0 p -53.4 -29.27 34.02 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.556 0.742 . . . . 71.04 112.466 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 458' ' ' THR . 23.3 t -63.92 -62.77 1.42 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.42 0.688 . . . . 74.03 110.96 175.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 1.2 p90 -72.94 -20.98 60.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.507 -0.745 . . . . 74.33 112.371 -177.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.84 -34.1 60.07 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.258 0.623 . . . . 73.11 110.47 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 455' ' ' SER . 13.0 t -74.23 -33.09 63.24 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 117.878 0.308 . . . . 70.22 110.386 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 455' ' ' SER . 17.2 mt-30 -64.47 -47.04 80.5 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 123.467 0.479 . . . . 74.51 109.898 172.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -60.31 -39.78 88.2 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 114.67 -1.15 . . . . 72.42 110.204 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.11 -47.54 76.79 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 123.606 0.762 . . . . 71.32 110.807 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 94.2 m -60.58 -41.2 94.19 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 123.975 0.797 . . . . 75.15 111.276 -175.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.33 -52.99 8.83 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.927 -0.579 . . . . 70.24 111.558 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' MET . . . . . 0.436 ' SD ' HG21 ' A' ' 64' ' ' VAL . 53.8 ttm -61.15 -33.24 73.1 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.426 0.69 . . . . 64.42 110.994 -176.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -73.27 -71.47 0.31 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.316 -0.994 . . . . 74.44 108.316 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 86.23 2.46 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 112.88 0.696 . . . . 71.45 112.88 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 CA--C 1.558 1.252 0 O-C-N 121.761 -0.587 . . . . 74.52 109.881 162.316 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.4 p . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 112.05 0.389 . . . . 65.12 112.05 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -64.88 -35.1 80.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.723 0.809 . . . . 71.35 111.388 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 8' ' ' ILE . 38.5 m -78.44 -40.08 36.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 122.869 0.468 . . . . 75.4 111.542 -177.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.7 p -70.6 -37.06 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 118.117 0.417 . . . . 75.24 110.959 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.69 -40.58 88.59 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 109.242 -0.651 . . . . 74.24 109.242 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -52.69 -53.82 42.12 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.116 0.966 . . . . 74.41 111.418 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 4' ' ' THR . 98.7 mt -55.31 -59.34 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 124.589 1.156 . . . . 73.23 111.186 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 88.2 m-20 -60.68 -46.08 91.73 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.428 -1.26 . . . . 71.03 111.807 -172.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 14' ' ' ILE . 80.6 mtm180 -72.81 -35.04 67.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 118.564 -0.731 . . . . 74.32 111.832 -173.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.462 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 48.5 m95 -61.32 -41.4 96.96 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 118.609 0.641 . . . . 75.35 110.274 172.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.28 -42.41 95.38 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.585 0.553 . . . . 72.13 110.519 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 22.0 mmt180 -59.47 -45.61 91.14 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.656 0.598 . . . . 75.45 110.196 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 10' ' ' ARG . 90.2 mt -54.38 -50.64 55.76 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 O-C-N 124.396 1.06 . . . . 75.23 109.926 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB2' ' NE2' ' A' ' 70' ' ' GLN . . . -63.08 -43.91 97.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.185 0.994 . . . . 72.24 112.802 -177.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.65 -46.26 90.54 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.768 0.827 . . . . 75.14 110.141 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 90.8 mt -61.25 -45.89 92.63 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.811 -1.086 . . . . 74.14 110.066 177.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.0 m -52.22 -53.51 42.58 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.639 1.175 . . . . 75.43 111.139 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.95 -47.21 84.2 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-N 114.821 -1.081 . . . . 72.43 110.732 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.429 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 52.2 m -57.99 -55.84 29.67 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.951 0.782 . . . . 70.55 111.831 -177.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.576 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.2 pp -70.3 -25.13 63.18 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.219 0.608 . . . . 63.1 112.071 -175.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.6 tp -63.98 -46.48 84.42 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.467 0.479 . . . . 74.2 110.067 175.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.69 -43.33 94.11 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.766 -1.107 . . . . 75.22 109.965 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 32' ' ' LEU . 67.1 mt -66.89 -29.2 69.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.844 0.857 . . . . 72.42 112.061 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.39 -46.15 56.56 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.559 0.744 . . . . 62.14 110.939 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -75.6 -22.34 57.0 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.046 0.538 . . . . 74.21 111.281 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.414 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 27.5 mmm-85 -70.93 -24.53 62.47 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.724 0.81 . . . . 72.43 110.934 170.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.66 8.24 73.87 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-N 116.243 -0.435 . . . . 72.01 112.64 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 34.5 mm-40 -76.51 89.77 3.28 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.05 0.94 . . . . 65.3 109.884 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -77.61 -35.68 52.54 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.489 0.493 . . . . 75.14 111.421 -176.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.86 -45.89 90.47 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.147 0.499 . . . . 62.5 110.087 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' A' ' 24' ' ' LEU . 87.8 mt -70.48 -41.06 73.21 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.11 -0.95 . . . . 72.14 111.129 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 21' ' ' LEU . 60.0 tp -58.19 -49.36 77.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.716 0.806 . . . . 74.3 111.23 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 HD22 HD13 ' A' ' 443' ' ' LEU . 81.7 mt -77.91 -18.71 55.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.857 0.863 . . . . 73.13 111.712 -175.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -67.58 -38.83 84.61 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.609 -0.515 . . . . 72.05 109.609 169.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 73.4 mm-40 -79.97 -27.52 39.69 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.435 -0.802 . . . . 75.45 110.822 178.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -47.23 -60.02 2.77 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.887 1.275 . . . . 75.12 111.809 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.7 m -58.94 -44.49 91.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 115.048 -0.978 . . . . 74.12 111.357 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m -60.15 -46.77 88.54 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.197 0.999 . . . . 51.14 110.571 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -68.81 -57.96 4.86 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 125.704 1.602 . . . . 72.23 111.993 -170.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.69 -40.59 97.59 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.125 0.891 . . . . 75.51 110.558 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -65.73 -38.12 88.26 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.513 0.508 . . . . 74.31 110.916 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.418 ' HA ' HG23 ' A' ' 46' ' ' THR . 69.0 m -61.08 -38.22 85.48 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.072 0.549 . . . . 71.45 111.331 177.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.547 HG23 HD21 ' A' ' 457' ' ' LEU . 75.4 mt -65.82 -43.03 93.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 121.459 0.647 . . . . 73.33 110.53 176.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.66 -35.48 77.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.313 0.645 . . . . 74.41 112.094 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.418 HG23 ' HA ' ' A' ' 43' ' ' SER . 13.1 t -79.0 -31.25 44.7 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.66 0.384 . . . . 74.54 111.141 -175.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 m -70.87 -33.35 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 118.259 0.482 . . . . 75.41 110.086 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.1 mmt -77.42 -12.71 59.99 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.277 0.631 . . . . 73.03 112.405 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -67.69 -33.49 75.01 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 109.677 -0.49 . . . . 64.33 109.677 168.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -89.49 -17.92 27.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.432 0.693 . . . . 73.25 110.848 171.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 43.36 39.52 2.18 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 126.102 1.761 . . . . 74.04 112.911 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.9 m 68.07 101.51 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 125.146 1.379 . . . . 75.24 111.095 -174.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -51.57 155.67 7.21 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 123.466 2.777 . . . . 75.51 113.815 172.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -63.13 -38.52 44.87 Favored 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.761 2.307 . . . . 71.02 112.522 174.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.99 66.9 3.82 Favored Glycine 0 C--N 1.35 1.31 0 CA-C-N 115.964 -0.562 . . . . 71.42 113.107 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.5 mm -118.94 113.43 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 108.201 -1.037 . . . . 72.01 108.201 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -77.91 170.8 15.98 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.184 0.594 . . . . 64.34 110.009 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -24.99 65.03 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.292 0.637 . . . . 75.14 111.961 -174.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 63' ' ' MET . 29.0 t -72.35 -46.67 54.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.39 0.676 . . . . 73.4 110.545 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.591 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 80.2 mt -67.45 -41.11 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.749 0.819 . . . . 73.42 110.093 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.8 -46.43 74.47 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.831 1.253 . . . . 74.02 110.801 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.66 -49.28 78.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.95 0.9 . . . . 52.31 111.634 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.591 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 48.5 mtm -59.95 -55.97 27.44 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 123.789 0.681 . . . . 53.4 110.475 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 68' ' ' ILE . 29.2 m -69.11 -33.12 56.98 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 CA-C-N 115.388 -0.823 . . . . 74.43 111.693 -173.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.82 -34.67 78.43 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.386 0.429 . . . . 72.51 110.208 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -64.09 -39.33 97.08 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.697 -0.683 . . . . 64.54 111.958 172.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.86 -30.02 64.99 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.325 0.65 . . . . 63.52 111.456 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 64' ' ' VAL . 50.8 mt -73.75 -36.84 47.5 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 N-CA-C 109.049 -0.723 . . . . 65.53 109.049 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -60.01 -45.15 93.72 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.052 -0.722 . . . . 74.23 109.052 175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 15' ' ' ALA . 26.1 mt-30 -62.72 -49.03 76.67 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 115.684 -0.689 . . . . 72.42 111.079 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 68' ' ' ILE . 10.7 t -64.24 -44.22 92.49 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 123.617 0.573 . . . . 73.41 110.728 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.44 -44.4 92.92 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.809 0.844 . . . . 73.14 112.062 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.44 -54.86 33.99 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.166 0.987 . . . . 75.0 110.657 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.427 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 10.1 m120 -67.68 -37.74 82.74 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.273 -0.876 . . . . 73.25 111.036 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.488 ' HA ' HD13 ' A' ' 78' ' ' LEU . 35.8 tt0 -73.97 -27.18 60.86 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.821 1.248 . . . . 74.44 111.564 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.47 -43.46 90.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.786 0.834 . . . . 75.11 110.043 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.82 -31.22 68.98 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.15 -0.932 . . . . 74.41 111.002 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 75' ' ' GLU . 92.3 mt -66.23 -42.07 89.18 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.365 0.666 . . . . 74.14 110.132 172.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.25 -52.32 63.78 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.861 0.725 . . . . 75.44 110.103 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.09 -46.47 65.39 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.761 0.663 . . . . 70.13 113.712 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.4 -56.32 19.36 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.184 0.993 . . . . 72.34 110.022 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.06 -22.56 64.02 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 115.772 -0.649 . . . . 74.43 111.473 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.68 -46.21 90.69 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.353 0.524 . . . . 74.13 110.192 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.82 -50.46 73.71 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.863 -1.062 . . . . 71.14 110.434 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -59.22 -49.37 78.11 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.006 -0.997 . . . . 74.44 111.286 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.2 -31.41 70.91 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.881 0.872 . . . . 75.11 112.152 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.79 -48.24 81.53 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.336 0.589 . . . . 71.54 109.604 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 33.4 mt-10 -60.69 -57.46 12.59 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 114.675 -1.148 . . . . 73.52 110.237 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.61 -41.63 77.38 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.041 0.936 . . . . 74.51 111.506 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -60.55 -46.84 88.7 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.628 0.771 . . . . 71.34 110.966 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 26.9 t -65.22 -39.87 93.34 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 123.77 0.669 . . . . 74.32 111.061 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 95.9 mt -64.57 -47.64 77.97 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.555 0.742 . . . . 74.43 111.177 -177.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.63 -41.07 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.06 0.944 . . . . 70.24 109.671 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.22 -29.05 67.77 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 115.696 -0.684 . . . . 63.41 113.561 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.4 mm100 -86.89 -52.48 5.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.401 0.68 . . . . 74.31 111.315 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 26.7 m -75.43 -37.81 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.747 0.419 . . . . 74.32 111.495 -170.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 107.175 -1.417 . . . . 73.42 107.175 175.533 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 110.043 -0.355 . . . . 73.53 110.043 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.14 -45.09 91.87 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.662 0.785 . . . . 72.2 111.482 175.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 50.7 mt-10 -66.44 -48.88 68.56 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 123.832 0.708 . . . . 71.21 110.758 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.8 t -65.64 -34.21 77.7 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.039 0.212 . . . . 74.21 111.306 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 46.6 t -61.74 -51.01 77.87 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 N-CA-C 108.848 -0.797 . . . . 75.0 108.848 170.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.73 86.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.791 0.836 . . . . 75.34 112.547 -175.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 18.5 mmt180 -76.25 -54.24 7.07 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.8 0.44 . . . . 74.51 110.337 -175.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -67.88 -27.07 66.35 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.392 0.432 . . . . 73.14 111.395 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -75.75 -41.93 51.87 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.211 0.605 . . . . 70.03 110.508 176.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.1 73.04 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.337 0.398 . . . . 71.25 109.935 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -60.12 -44.35 94.96 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.428 0.691 . . . . 75.31 111.128 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.94 -57.13 14.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.744 0.418 . . . . 72.44 110.388 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 28.8 m -59.05 -35.7 73.78 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.106 0.962 . . . . 75.51 111.951 -175.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -71.19 -49.94 38.36 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.694 0.797 . . . . 73.3 111.591 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.426 HD13 HD22 ' A' ' 34' ' ' LEU . 10.4 mp -69.17 -21.96 63.95 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.742 0.417 . . . . 63.32 111.097 175.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.78 -43.36 16.83 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.967 0.907 . . . . 64.14 110.808 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.8 t -69.93 -31.89 69.88 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 109.068 -0.716 . . . . 63.51 109.068 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.552 ' HG2' HD21 ' A' ' 450' ' ' LEU . 26.3 ttt -62.55 -46.42 88.45 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 123.801 0.688 . . . . 70.1 109.608 171.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.523 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 17.4 ttm -62.67 -50.62 70.44 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.234 0.958 . . . . 75.02 112.366 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 24.3 p -63.78 -38.06 89.7 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.158 0.583 . . . . 71.43 110.792 -176.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -70.35 -44.67 67.68 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 115.896 -0.593 . . . . 74.24 111.055 174.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.552 HD21 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -71.85 -19.13 62.01 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 118.016 0.371 . . . . 74.11 110.924 -176.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -74.8 -49.27 21.38 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.991 0.916 . . . . 75.43 109.158 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -60.46 -44.78 95.51 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-N 115.201 -0.909 . . . . 72.33 110.583 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.435 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 63.0 p -64.45 -59.56 4.2 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 118.108 -0.949 . . . . 63.34 109.736 -177.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 80.9 p -52.39 -30.47 29.3 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.576 0.75 . . . . 75.44 112.585 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.4 t -60.62 -65.3 0.71 Allowed 'General case' 0 CA--C 1.548 0.899 0 O-C-N 123.677 0.611 . . . . 73.24 110.714 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -71.13 -18.33 62.52 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.645 0.609 . . . . 74.4 112.645 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.547 HD21 HG23 ' A' ' 44' ' ' ILE . 70.6 mt -77.19 -39.12 49.94 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.95 0.9 . . . . 73.23 111.22 177.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 12.3 t -72.44 -33.16 66.88 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 109.839 -0.43 . . . . 74.12 109.839 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -65.0 -46.56 80.91 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.591 0.557 . . . . 74.23 109.919 171.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -57.75 -44.05 85.84 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.545 1.138 . . . . 62.34 110.925 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -63.39 -55.37 24.96 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 124.09 0.869 . . . . 73.14 110.784 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 34.7 m -60.09 -37.47 80.03 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 124.13 0.894 . . . . 75.14 111.582 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.51 -50.63 20.49 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.091 0.556 . . . . 61.14 111.259 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' MET . . . . . 0.45 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.8 ttm -61.65 -35.57 78.3 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.375 0.67 . . . . 74.4 110.936 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -81.26 -66.03 0.94 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.327 -0.851 . . . . 55.14 109.117 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.04 79.53 1.8 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.419 0.688 . . . . 71.55 111.667 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.561 1.397 0 O-C-N 121.818 -0.551 . . . . 62.23 111.295 168.739 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.839 0.352 . . . . 74.45 111.193 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -63.73 -32.5 74.01 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 115.804 -0.635 . . . . 42.33 110.445 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 8' ' ' ILE . 36.4 m -81.0 -33.81 33.41 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.884 -0.598 . . . . 74.31 111.855 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.91 -42.02 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 118.933 0.788 . . . . 74.24 110.19 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.96 -34.26 75.05 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.6 0.36 . . . . 73.41 110.506 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 4' ' ' THR . 46.0 t80 -53.34 -53.63 48.32 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.171 0.989 . . . . 75.25 110.818 170.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.475 HG12 HG22 ' A' ' 60' ' ' ILE . 92.3 mt -54.2 -57.72 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 124.025 0.93 . . . . 75.14 110.72 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.51 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 74.8 m-20 -58.82 -47.41 84.89 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.916 -1.493 . . . . 71.4 111.515 -172.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.475 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.2 mtm180 -72.49 -35.03 68.07 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 118.626 -0.702 . . . . 74.12 111.949 -175.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -65.87 -36.32 83.11 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 118.676 0.671 . . . . 72.24 110.839 173.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -58.66 -44.87 90.29 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 123.798 0.687 . . . . 74.25 109.717 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 21.3 mmt180 -63.97 -42.15 97.35 Favored 'General case' 0 C--N 1.358 0.974 0 O-C-N 123.465 0.478 . . . . 75.12 110.384 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 10' ' ' ARG . 95.9 mt -60.52 -43.7 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 123.876 0.87 . . . . 71.44 110.737 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.78 77.2 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.697 0.399 . . . . 71.43 111.715 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.82 -35.11 78.04 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.919 0.488 . . . . 75.3 111.165 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 79.6 mt -72.61 -49.17 33.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.548 0.739 . . . . 74.33 110.522 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.8 p -56.27 -40.14 73.77 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.971 0.794 . . . . 75.21 110.487 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -64.82 -47.16 79.03 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.235 0.96 . . . . 73.32 111.264 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.425 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.2 m -58.67 -56.98 15.17 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.377 0.671 . . . . 72.23 111.065 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.71 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -74.44 -19.41 60.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.009 0.524 . . . . 65.51 112.068 -174.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.3 -47.89 82.29 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.316 -0.624 . . . . 73.03 109.316 170.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.91 -42.56 98.3 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 114.548 -1.206 . . . . 73.2 110.464 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 20' ' ' SER . 55.9 mt -68.86 -32.1 71.53 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.85 0.86 . . . . 73.14 111.446 -178.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 33' ' ' LEU . . . -72.48 -48.51 40.17 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.779 0.832 . . . . 63.33 111.06 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -70.79 -26.99 63.58 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.682 0.393 . . . . 75.23 111.048 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -79.14 -21.17 46.91 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.923 0.889 . . . . 70.53 112.027 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.05 6.41 71.8 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 119.975 -0.347 . . . . 62.13 113.705 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -79.55 80.24 5.95 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.206 -0.664 . . . . 75.45 109.206 172.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.427 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 42.3 m95 -68.35 -38.81 81.81 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 114.81 -1.087 . . . . 75.53 111.512 -175.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.37 -38.01 70.85 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.671 0.788 . . . . 63.31 111.206 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.4 mt -80.61 -32.91 36.21 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.401 -0.818 . . . . 74.12 110.995 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 21' ' ' LEU . 42.9 tp -60.35 -37.95 82.31 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.553 0.741 . . . . 75.2 110.291 171.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 87.2 mt -78.03 -32.34 50.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.639 1.175 . . . . 72.32 110.886 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.4 -44.05 96.08 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.441 -0.799 . . . . 71.43 109.587 173.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -89.07 -10.41 47.53 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.492 -0.777 . . . . 75.04 112.514 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -57.56 -55.78 30.36 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.129 0.572 . . . . 75.43 110.15 173.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.2 m -61.46 -41.39 89.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.831 -1.077 . . . . 75.05 111.576 -174.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 p -72.38 -43.5 63.89 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.721 0.809 . . . . 74.25 111.075 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.05 -56.21 14.37 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.417 1.087 . . . . 73.13 111.722 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.11 -37.53 87.8 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.41 -0.814 . . . . 74.11 110.46 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -55.15 -46.45 75.72 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 123.773 0.671 . . . . 63.13 111.558 172.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.3 m -61.28 -42.13 98.12 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 123.341 0.657 . . . . 72.33 111.413 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.4 HG23 HD21 ' A' ' 457' ' ' LEU . 56.9 mt -66.9 -41.22 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 116.019 -0.537 . . . . 75.11 110.323 177.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.67 -32.13 72.59 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.389 0.675 . . . . 55.33 111.516 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -84.75 -27.77 26.7 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 111.965 0.357 . . . . 74.11 111.965 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' HG2' ' A' ' 48' ' ' MET . 35.5 m -75.92 -32.85 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 121.75 -0.594 . . . . 75.25 110.386 170.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.525 ' HE3' ' HG2' ' A' ' 460' ' ' GLN . 17.2 mmt -98.75 0.02 43.62 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.547 0.944 . . . . 74.33 113.547 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.27 -31.15 63.91 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.692 -0.855 . . . . 74.32 108.692 166.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -35.73 16.07 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 114.262 -1.335 . . . . 71.52 108.621 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 69.84 59.13 0.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.115 1.366 . . . . 72.52 110.812 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.2 m 64.8 114.07 0.02 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.789 1.236 . . . . 70.31 112.944 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -67.45 129.28 19.84 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.627 2.218 . . . . 73.42 111.761 170.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.16 99.33 1.25 Allowed 'Trans proline' 0 C--N 1.37 1.7 0 C-N-CA 122.805 2.337 . . . . 74.21 109.967 171.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.84 42.28 0.02 OUTLIER Glycine 0 C--N 1.336 0.558 0 N-CA-C 110.2 -1.16 . . . . 74.41 110.2 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -110.59 116.08 51.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.179 0.992 . . . . 75.12 108.534 -173.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 t -76.07 175.95 8.44 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 117.807 0.276 . . . . 74.33 110.622 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 59' ' ' SER . 5.2 ppt_? -65.98 -30.02 70.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.596 0.758 . . . . 73.34 111.952 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 35.2 t -73.81 -44.02 57.09 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.198 0.599 . . . . 54.42 110.696 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.505 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 95.5 mt -72.62 -41.54 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.576 0.75 . . . . 74.44 110.266 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.405 ' HG3' ' HG2' ' A' ' 464' ' ' MET . 35.7 tt0 -60.98 -37.08 81.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.223 1.009 . . . . 73.43 110.46 176.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.05 -51.19 65.3 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.714 0.806 . . . . 75.44 110.159 175.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.505 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 55.5 mtm -58.8 -57.06 14.71 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.289 0.636 . . . . 74.41 111.0 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.4 m -68.25 -27.06 35.58 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.017 0 CA-C-N 115.876 -0.602 . . . . 71.41 111.976 -175.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.32 90.66 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 118.287 0.494 . . . . 71.32 109.775 171.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -64.17 -45.31 94.02 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 115.731 -0.668 . . . . 63.22 112.201 172.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -65.24 -37.31 86.84 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.458 0.703 . . . . 72.3 112.128 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 64' ' ' VAL . 83.4 mt -72.28 -41.07 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.708 -0.849 . . . . 75.2 108.708 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -58.32 -41.35 84.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.338 0.655 . . . . 73.51 111.037 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 23.5 mt-30 -63.0 -53.19 57.89 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.578 -0.737 . . . . 75.43 109.917 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -28.15 68.15 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 114.947 -1.024 . . . . 75.12 111.069 -171.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.42 -48.54 55.56 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.628 0.771 . . . . 74.12 110.665 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 18.4 t70 -55.52 -54.22 46.67 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 124.162 0.914 . . . . 70.31 110.262 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.435 ' N ' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -64.24 -42.3 96.59 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.838 -1.074 . . . . 74.02 111.172 -174.574 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.548 ' HA ' HD13 ' A' ' 78' ' ' LEU . 37.5 tt0 -74.81 -26.32 59.65 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.979 0.912 . . . . 74.43 111.516 -177.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -71.6 -39.27 70.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.311 0.644 . . . . 73.11 109.749 171.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 89.1 mt -67.11 -33.64 75.89 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.866 -0.606 . . . . 72.52 110.187 176.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.548 HD13 ' HA ' ' A' ' 75' ' ' GLU . 87.6 mt -63.54 -44.71 93.42 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.221 0.608 . . . . 72.05 110.122 172.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -53.81 -54.71 34.52 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.396 0.678 . . . . 74.51 110.575 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -49.05 52.42 Favored Glycine 0 C--N 1.351 1.365 0 O-C-N 123.77 0.669 . . . . 73.41 113.669 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.43 -54.52 35.34 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.994 0.918 . . . . 72.42 109.931 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.422 HD22 HD21 ' A' ' 443' ' ' LEU . 76.8 mt -67.72 -25.2 65.53 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.016 0.526 . . . . 74.14 111.328 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.39 -43.34 94.74 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.282 0.492 . . . . 71.02 110.829 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.35 -49.07 79.24 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.878 0.736 . . . . 75.22 109.54 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.423 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 1.2 mmp_? -57.7 -50.76 72.12 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.255 0.972 . . . . 74.45 111.734 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' A' ' 443' ' ' LEU . 95.9 mt -71.87 -25.19 61.84 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.896 0.878 . . . . 74.14 112.263 -176.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.1 -37.8 72.39 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.454 -0.572 . . . . 71.24 109.454 174.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 34.8 mt-10 -69.6 -47.39 63.68 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.864 0.866 . . . . 75.21 110.403 175.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.542 HD11 HD23 ' A' ' 86' ' ' LEU . 96.0 mt -62.13 -44.12 97.34 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.786 0.834 . . . . 73.2 110.462 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.1 t -69.14 -32.82 72.45 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.129 0.572 . . . . 64.02 111.308 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.1 t -64.41 -38.02 89.58 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.336 0.654 . . . . 62.51 110.124 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 93.5 mt -69.76 -48.67 58.48 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.528 -0.76 . . . . 75.24 110.037 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 89' ' ' LEU . 95.8 mt -60.44 -40.73 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 124.522 1.129 . . . . 74.53 110.976 -177.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.55 -25.53 63.31 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.191 -0.459 . . . . 72.1 113.622 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -93.34 -50.73 5.32 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.646 0.778 . . . . 72.0 110.741 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.566 HG21 HG22 ' A' ' 433' ' ' VAL . 22.4 m -79.89 -26.71 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.491 0.716 . . . . 73.24 112.404 -167.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 107.265 -1.383 . . . . 70.22 107.265 173.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 110.075 -0.343 . . . . 63.35 110.075 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.73 -42.98 90.06 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 123.812 0.845 . . . . 70.44 111.016 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.6 mt-10 -64.79 -56.85 11.02 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 123.966 0.791 . . . . 73.51 111.014 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 14.1 t -63.05 -40.87 98.99 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 123.447 0.467 . . . . 75.11 111.968 -174.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . 0.566 HG22 HG21 ' A' ' 96' ' ' VAL . 82.6 t -67.43 -37.13 78.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 122.83 0.452 . . . . 75.24 110.177 177.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.96 82.18 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.197 0.599 . . . . 71.55 111.376 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 23.1 mmt180 -68.32 -47.47 67.44 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 109.723 -0.473 . . . . 74.23 109.723 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -63.58 -37.41 87.22 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.68 0.392 . . . . 75.53 111.246 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -71.54 -33.98 69.61 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.217 1.007 . . . . 75.15 110.296 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.1 -55.97 15.67 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 109.639 -0.504 . . . . 51.13 109.639 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 21.1 mm-40 -61.83 -35.21 77.58 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.693 -0.685 . . . . 75.3 110.681 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.92 -63.93 0.99 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 115.999 -0.546 . . . . 64.33 110.192 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 35.0 m -60.48 -40.38 91.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.755 0.822 . . . . 74.51 112.166 -172.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.42 -50.93 49.16 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.573 0.749 . . . . 72.1 111.312 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.622 ' HB2' HD22 ' A' ' 86' ' ' LEU . 8.6 mp -72.18 -20.51 61.58 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 121.997 0.119 . . . . 71.12 111.005 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -78.12 -44.4 26.2 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.945 0.898 . . . . 64.22 111.033 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 t -72.19 -33.02 67.32 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.509 -0.552 . . . . 73.23 109.509 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.601 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.1 ttt -61.01 -43.86 98.27 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.937 0.773 . . . . 73.03 109.356 171.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.578 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 46.7 ttm -65.05 -47.41 77.43 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.087 0.867 . . . . 75.0 111.684 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 18.7 m -59.0 -41.43 87.68 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.225 0.536 . . . . 75.1 110.545 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . 0.405 ' O ' HG21 ' A' ' 453' ' ' THR . 58.1 mtpt -69.05 -49.46 57.25 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.9 -1.045 . . . . 71.44 110.661 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.601 HD22 ' HG2' ' A' ' 446' ' ' MET . 3.2 pp -72.36 -19.44 61.63 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.758 0.313 . . . . 74.11 111.623 -173.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -76.19 -48.5 20.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.862 0.865 . . . . 72.21 109.226 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -64.32 -38.32 90.62 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 115.232 -0.895 . . . . 61.0 110.504 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.435 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 54.2 p -65.85 -60.62 2.69 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 118.386 -0.816 . . . . 73.43 109.418 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.7 p -52.36 -30.3 28.13 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.521 0.728 . . . . 75.14 112.144 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.408 ' O ' HG21 ' A' ' 458' ' ' THR . 44.0 t -58.71 -66.83 0.43 Allowed 'General case' 0 CA--C 1.551 1.019 0 O-C-N 123.8 0.687 . . . . 71.31 110.627 171.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -71.48 -20.42 62.08 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.944 0.72 . . . . 74.41 112.944 -176.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.4 HD21 HG23 ' A' ' 44' ' ' ILE . 69.3 mt -73.25 -41.37 63.77 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.72 0.808 . . . . 74.51 110.368 178.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 455' ' ' SER . 6.7 t -72.84 -33.54 66.22 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.129 0.268 . . . . 75.13 110.518 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.02 -43.63 91.81 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.171 -0.468 . . . . 75.5 109.92 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . 0.525 ' HG2' ' HE3' ' A' ' 48' ' ' MET . 25.9 tp60 -70.2 -31.32 68.71 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.324 -0.853 . . . . 72.52 110.754 177.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.81 -56.58 14.39 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.164 0.585 . . . . 72.2 109.717 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 25.1 m -63.92 -32.74 74.37 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 123.864 0.728 . . . . 71.11 111.756 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.47 -51.45 20.1 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.027 0.442 . . . . 74.11 111.095 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' MET . . . . . 0.405 ' HG2' ' HG3' ' A' ' 61' ' ' GLN . 50.5 ttm -64.74 -34.64 78.82 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.388 -0.824 . . . . 74.13 110.559 -177.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -75.97 -67.9 0.63 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.721 -0.844 . . . . 64.31 108.721 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . 0.524 ' HB3' ' HZ2' ' A' ' 466' ' ' LYS . 0.0 OUTLIER -122.79 80.5 1.76 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.407 0.683 . . . . 75.41 111.209 177.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 CA--C 1.566 1.574 0 C-N-CA 124.107 0.963 . . . . 75.51 112.268 163.3 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.74 0.305 . . . . 74.4 111.63 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -62.39 -41.07 98.38 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.043 0.937 . . . . 62.45 111.229 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 8' ' ' ILE . 62.2 m -75.18 -38.69 60.75 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.137 -0.938 . . . . 73.43 112.076 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.89 -40.5 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 118.459 0.572 . . . . 75.22 110.562 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.15 -36.27 79.4 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 110.144 -0.317 . . . . 75.53 110.144 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' A' ' 4' ' ' THR . 50.3 t80 -54.28 -52.23 62.1 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.713 0.805 . . . . 74.23 110.501 170.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 4' ' ' THR . 97.4 mt -61.44 -56.99 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.004 0.922 . . . . 74.0 111.619 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 50.5 m-80 -59.44 -42.47 92.0 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.824 0.703 . . . . 73.21 112.115 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.46 ' O ' HG13 ' A' ' 14' ' ' ILE . 86.4 mtm180 -75.71 -37.97 59.0 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 118.663 -0.685 . . . . 72.24 111.715 -175.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.415 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 53.3 m95 -63.97 -36.92 85.56 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 118.763 0.71 . . . . 72.5 110.827 172.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.445 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.6 tt0 -59.28 -46.23 89.11 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 114.804 -1.089 . . . . 72.41 109.038 174.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 82.2 mmt-85 -59.21 -50.74 72.84 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 123.682 0.614 . . . . 74.23 110.275 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.7 mt -53.31 -44.3 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 124.192 0.997 . . . . 74.35 111.73 -175.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.14 -43.87 55.84 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.785 0.661 . . . . 72.13 112.785 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 89.6 mt -65.15 -38.63 91.21 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.083 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 95.7 mt -75.1 -42.53 56.39 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.823 0.849 . . . . 74.34 110.341 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.473 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.8 p -58.8 -41.48 86.87 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.627 0.579 . . . . 63.21 110.587 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -64.98 -46.49 81.25 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.157 -0.929 . . . . 73.35 110.552 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -54.6 -59.87 4.12 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.839 0.712 . . . . 73.43 111.437 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.566 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -72.32 -23.32 61.14 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 115.684 -0.689 . . . . 74.02 112.207 -173.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HA ' HD21 ' A' ' 78' ' ' LEU . 57.1 tp -59.64 -53.49 57.47 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 109.418 -0.586 . . . . 74.32 109.418 171.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.48 ' HA ' HE21 ' A' ' 26' ' ' GLN . 43.6 mt-10 -65.57 -38.04 88.41 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.121 -0.945 . . . . 74.41 111.011 -178.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 21' ' ' LEU . 86.1 mt -59.91 -41.96 92.84 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.602 0.761 . . . . 74.34 110.694 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.485 ' HB3' HD11 ' A' ' 33' ' ' LEU . . . -63.15 -45.95 89.48 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.584 0.754 . . . . 72.52 111.07 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.48 HE21 ' HA ' ' A' ' 23' ' ' GLU . 19.0 mt-30 -65.35 -28.25 69.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.719 0.808 . . . . 72.42 111.485 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -79.95 -24.04 41.26 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.088 0.955 . . . . 75.53 111.047 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.24 0.09 50.78 Favored Glycine 0 C--N 1.349 1.252 0 O-C-N 123.487 0.492 . . . . 71.03 112.994 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.82 79.11 3.41 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.509 0.724 . . . . 75.2 109.866 172.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -71.79 -30.84 65.97 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 115.16 -0.927 . . . . 72.52 110.322 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.22 -41.18 81.65 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.152 0.581 . . . . 72.31 110.074 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HB3' HD12 ' A' ' 24' ' ' LEU . 64.2 mt -74.57 -31.76 62.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.176 0.59 . . . . 75.41 111.313 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 21' ' ' LEU . 27.9 tp -56.25 -45.54 79.98 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.6 0.76 . . . . 74.31 110.25 168.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.46 -21.24 42.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.43 1.092 . . . . 74.22 112.237 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -72.46 -37.36 68.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.26 -0.644 . . . . 74.2 109.26 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -88.55 -13.94 38.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.322 -0.853 . . . . 72.21 112.128 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.34 -57.02 10.03 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.077 0.951 . . . . 73.15 110.777 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 m -57.72 -44.41 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 114.672 -1.149 . . . . 72.22 111.115 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -61.64 -48.15 82.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.965 0.906 . . . . 72.32 111.243 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.6 t80 -67.69 -61.54 1.84 Allowed 'General case' 0 C--O 1.244 0.774 0 C-N-CA 125.488 1.515 . . . . 73.11 111.475 -171.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.43 -42.24 95.66 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 124.047 0.842 . . . . 75.32 111.006 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -55.97 -47.24 78.01 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.673 0.608 . . . . 75.04 111.484 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -59.08 -42.23 89.91 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 123.882 0.738 . . . . 74.21 111.81 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.53 HG21 HD22 ' A' ' 457' ' ' LEU . 64.0 mt -63.65 -46.63 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-O 121.372 0.606 . . . . 72.31 110.568 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.65 -43.13 97.97 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.038 -0.983 . . . . 62.43 111.602 -177.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -77.34 -36.62 53.67 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 112.056 0.391 . . . . 71.01 112.056 -174.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.07 -33.17 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 CA-C-N 118.169 0.44 . . . . 63.45 111.298 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.467 ' HE1' ' HG2' ' A' ' 460' ' ' GLN . 20.1 mmt -85.34 -29.37 24.55 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.375 0.509 . . . . 75.14 112.375 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.33 -34.24 76.92 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.42 0.629 . . . . 64.41 110.07 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -35.54 25.68 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.054 -0.975 . . . . 75.51 108.577 173.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 73.66 149.23 0.1 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.497 1.519 . . . . 74.24 111.052 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.5 m -48.84 116.82 5.68 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 124.959 1.304 . . . . 71.33 111.775 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -65.71 149.1 87.35 Favored 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.472 2.115 . . . . 70.12 111.432 174.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -67.36 -20.89 48.06 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.811 2.34 . . . . 75.24 113.01 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.01 59.79 4.91 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 116.433 -0.349 . . . . 61.24 112.891 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mm -119.66 113.64 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 N-CA-C 107.969 -1.122 . . . . 64.13 107.969 174.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 t -75.02 173.89 10.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.977 0.511 . . . . 74.42 110.271 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 59' ' ' SER . 1.2 ppt_? -66.85 -23.99 66.09 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.437 0.695 . . . . 73.43 111.731 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.425 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 37.2 t -70.04 -55.49 9.4 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.153 0.581 . . . . 64.3 110.291 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.1 -35.64 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.38 1.072 . . . . 52.34 110.955 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.76 -42.07 98.51 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.317 1.047 . . . . 74.11 110.754 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.62 -45.98 81.03 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.204 0.602 . . . . 73.3 110.848 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.2 mtp -52.55 -58.25 7.36 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.676 1.19 . . . . 71.44 110.892 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.9 m -74.31 -22.25 17.86 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-N 115.347 -0.842 . . . . 63.43 112.257 -178.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.56 -38.7 91.07 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 118.392 0.542 . . . . 75.01 109.555 170.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.53 -41.74 89.72 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.498 -0.774 . . . . 75.42 111.845 173.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -65.73 -40.91 92.63 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.123 0.569 . . . . 73.33 112.522 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 64' ' ' VAL . 54.5 mt -74.62 -36.13 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 109.417 -0.586 . . . . 74.52 109.417 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.47 -43.18 99.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.682 0.393 . . . . 75.51 110.933 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.21 -50.41 73.2 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.807 -0.633 . . . . 71.33 110.435 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.489 HG21 ' HA ' ' A' ' 68' ' ' ILE . 4.3 t -67.37 -33.97 76.32 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 123.721 0.638 . . . . 75.13 111.226 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.92 -42.86 89.61 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.214 0.606 . . . . 72.31 111.206 175.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.77 -58.28 9.23 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.081 0.863 . . . . 74.41 110.297 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.58 -43.29 99.14 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.896 -1.047 . . . . 75.44 111.518 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HA ' HD13 ' A' ' 78' ' ' LEU . 36.5 tt0 -73.32 -26.09 60.9 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.063 0.945 . . . . 62.52 111.867 -176.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -73.26 -39.04 65.72 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.227 0.611 . . . . 73.23 110.376 173.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.64 -33.95 74.9 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.7 -0.682 . . . . 75.23 110.181 176.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 75' ' ' GLU . 91.3 mt -65.15 -42.31 93.89 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.51 0.724 . . . . 74.34 110.177 171.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -53.98 -53.69 49.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.308 0.643 . . . . 75.0 110.179 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.44 -51.46 52.15 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.819 0.699 . . . . 72.25 113.502 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.78 -56.29 21.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.99 0.916 . . . . 75.2 110.832 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.45 -30.89 71.94 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.711 -0.677 . . . . 72.0 111.131 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.74 -39.9 94.41 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 118.142 0.428 . . . . 75.04 110.973 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -60.47 -47.75 84.78 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.709 0.63 . . . . 72.54 109.939 175.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.33 -47.47 85.78 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 115.115 -0.948 . . . . 74.35 111.827 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.58 -32.07 73.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.565 0.746 . . . . 74.25 111.329 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -68.31 -48.8 63.97 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.285 0.634 . . . . 72.22 110.44 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 42.2 mt-10 -63.06 -49.43 74.55 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.5 -0.773 . . . . 75.3 110.645 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 93' ' ' ILE . 94.1 mt -61.23 -43.52 98.75 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.738 0.815 . . . . 63.43 111.017 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.3 t -67.3 -33.32 75.04 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.332 0.653 . . . . 75.25 111.733 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 26.9 t -68.0 -38.3 82.48 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.685 -0.487 . . . . 73.4 109.685 177.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.8 mt -67.59 -42.57 82.27 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.538 -0.756 . . . . 71.14 110.596 176.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 89' ' ' LEU . 92.6 mt -60.19 -38.94 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 123.886 0.874 . . . . 75.12 110.156 175.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.02 -30.19 74.81 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.653 -0.703 . . . . 72.32 113.31 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 91' ' ' SER . 12.5 mm100 -88.47 -43.69 11.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.274 0.63 . . . . 75.31 111.403 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.543 HG21 HG23 ' A' ' 433' ' ' VAL . 23.3 m -87.78 -33.99 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 112.521 0.563 . . . . 73.43 112.521 -167.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 108.328 -0.99 . . . . 73.32 108.328 -178.521 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 N-CA-C 109.983 -0.377 . . . . 70.21 109.983 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.35 -47.59 69.25 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.177 0.991 . . . . 73.24 111.17 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 36.1 mt-10 -70.31 -47.11 62.64 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.255 -0.884 . . . . 73.41 111.533 -173.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.6 t -66.19 -39.86 89.99 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 117.783 0.265 . . . . 74.25 111.383 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . 0.543 HG23 HG21 ' A' ' 96' ' ' VAL . 66.7 t -61.8 -40.36 86.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 N-CA-C 109.767 -0.457 . . . . 73.11 109.767 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.65 -30.9 71.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.434 0.694 . . . . 71.51 111.93 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 64.1 mmt-85 -68.59 -50.18 53.6 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.821 0.448 . . . . 73.15 109.902 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -66.86 -35.82 80.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.163 -0.926 . . . . 73.21 110.894 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -70.77 -40.24 72.74 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.825 0.85 . . . . 75.11 110.38 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.1 -58.16 8.19 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.42 0.45 . . . . 73.24 110.324 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -59.31 -36.15 75.09 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.221 0.608 . . . . 74.31 111.792 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -64.94 -63.88 1.0 Allowed 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.927 -0.397 . . . . 71.0 109.927 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 31.5 m -55.73 -40.33 72.33 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.205 1.002 . . . . 74.54 112.223 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.83 -53.03 30.1 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.668 0.787 . . . . 71.04 111.69 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 8.8 mp -73.52 -19.8 60.82 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.606 0.362 . . . . 71.31 111.354 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -81.0 -44.69 17.71 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.077 0.951 . . . . 75.52 110.735 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.1 t -70.24 -31.67 69.18 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.654 -0.499 . . . . 75.04 109.654 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.581 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.7 ttt -62.63 -41.93 99.31 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 115.771 -0.65 . . . . 72.23 109.378 172.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.662 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 28.6 ttm -66.14 -45.78 79.8 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 124.036 0.835 . . . . 75.32 112.422 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 32.8 p -61.4 -43.56 98.66 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 121.152 0.501 . . . . 72.21 110.622 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -67.93 -44.2 77.39 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 115.319 -0.855 . . . . 74.43 111.539 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.662 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 2.4 pp -73.38 -18.65 61.14 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 117.776 0.262 . . . . 70.42 111.161 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -76.19 -47.71 23.09 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.01 0.524 . . . . 72.32 109.815 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -65.01 -36.99 86.18 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.749 -0.659 . . . . 74.44 110.888 177.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 48.2 p -64.59 -61.85 1.95 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.673 -0.679 . . . . 75.54 109.371 177.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 61.6 p -50.57 -32.33 18.32 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.683 0.793 . . . . 75.5 112.697 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.3 t -59.95 -62.95 1.49 Allowed 'General case' 0 CA--C 1.546 0.826 0 O-C-N 123.749 0.655 . . . . 64.33 110.869 174.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.466 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 0.9 OUTLIER -71.74 -19.72 62.0 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.664 0.616 . . . . 75.21 112.664 -178.573 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.53 HD22 HG21 ' A' ' 44' ' ' ILE . 81.6 mt -71.11 -42.23 69.54 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.382 0.673 . . . . 74.21 110.851 176.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.6 t -75.77 -32.73 60.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.209 0.204 . . . . 72.11 110.881 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -60.3 -52.3 65.87 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 121.217 0.532 . . . . 74.13 109.622 171.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . 0.467 ' HG2' ' HE1' ' A' ' 48' ' ' MET . 24.9 tp60 -61.19 -41.39 96.73 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 114.615 -1.175 . . . . 75.24 111.403 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.88 -48.74 77.69 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.583 0.353 . . . . 75.32 110.678 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 87.2 m -61.51 -37.59 84.27 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 123.853 0.721 . . . . 74.12 111.833 -177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.98 -46.15 24.97 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 120.997 0.427 . . . . 73.51 112.041 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' MET . . . . . 0.457 ' SD ' HG21 ' A' ' 64' ' ' VAL . 56.0 ttm -63.91 -34.09 77.17 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.732 0.813 . . . . 73.21 110.869 -177.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -81.51 -62.7 1.57 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.346 -0.843 . . . . 75.12 109.623 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 80.96 1.84 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.379 0.609 . . . . 74.01 111.579 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.562 1.418 0 C-N-CA 123.108 0.563 . . . . 63.0 110.54 163.372 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 112.824 0.676 . . . . 74.3 112.824 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m -67.63 -26.57 66.3 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.907 -0.588 . . . . 62.23 111.078 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 8' ' ' ILE . 58.7 m -78.13 -39.14 42.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.426 0.69 . . . . 75.42 111.663 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.5 p -71.4 -40.03 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 118.243 0.474 . . . . 73.41 110.683 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.07 -37.6 84.28 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 110.575 -0.157 . . . . 75.14 110.575 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' A' ' 4' ' ' THR . 33.6 t80 -50.02 -53.4 27.03 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 123.759 0.823 . . . . 75.43 110.884 168.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.481 HG12 HG22 ' A' ' 60' ' ' ILE . 94.2 mt -57.2 -62.05 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 C-N-CA 124.069 0.948 . . . . 75.43 111.911 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 55.0 m-80 -61.57 -38.11 86.31 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.355 -0.839 . . . . 74.53 112.137 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 14' ' ' ILE . 54.1 mtm180 -72.29 -37.55 68.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 118.654 -0.688 . . . . 74.01 111.058 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -61.93 -39.62 92.7 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 118.5 0.591 . . . . 71.34 111.173 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -55.64 -49.12 73.73 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 123.856 0.722 . . . . 74.45 110.377 172.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 56.6 mmt-85 -62.1 -38.94 90.78 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.83 -0.623 . . . . 74.12 111.318 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 10' ' ' ARG . 88.8 mt -61.15 -45.62 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.687 0.795 . . . . 71.22 110.88 -177.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.51 76.5 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.066 0.395 . . . . 74.51 112.066 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.14 -48.92 77.98 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.297 0.639 . . . . 72.2 111.098 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.6 mt -66.79 -45.79 77.34 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.275 -0.875 . . . . 74.21 110.533 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.483 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 52.6 p -58.4 -43.68 88.66 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.036 0.835 . . . . 65.55 111.591 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -64.73 -45.51 86.18 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.823 0.702 . . . . 74.02 110.991 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 60.7 m -60.89 -51.66 68.35 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.417 -0.81 . . . . 74.52 111.292 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.65 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.2 pp -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.494 0.317 . . . . 74.11 111.701 -176.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.88 -46.0 91.31 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.257 0.551 . . . . 73.21 109.712 171.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.2 -40.09 94.92 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.616 -1.174 . . . . 73.22 110.6 175.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.445 HD12 ' HB3' ' A' ' 32' ' ' LEU . 59.2 mt -69.02 -28.58 66.7 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.297 0.639 . . . . 73.14 111.647 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.39 -46.44 60.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.362 0.665 . . . . 73.05 110.99 178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -74.44 -22.74 58.98 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 122.773 0.429 . . . . 74.31 111.126 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -74.9 -14.71 60.69 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.836 0.854 . . . . 72.52 111.629 172.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.05 9.06 87.22 Favored Glycine 0 C--N 1.351 1.382 0 O-C-N 123.301 0.376 . . . . 74.33 112.779 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -86.07 79.8 9.04 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.172 0.989 . . . . 63.13 109.052 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -71.62 -32.94 68.52 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.29 -0.868 . . . . 74.42 112.21 -172.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -64.09 -43.7 94.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.195 0.521 . . . . 73.53 110.159 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HB3' HD12 ' A' ' 24' ' ' LEU . 88.3 mt -71.06 -38.77 72.5 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.977 -1.01 . . . . 74.15 110.478 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.65 HD13 ' HB2' ' A' ' 21' ' ' LEU . 43.0 tp -54.29 -49.35 69.83 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.278 1.031 . . . . 75.42 110.828 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.486 HD21 HD11 ' A' ' 443' ' ' LEU . 81.4 mt -76.5 -23.85 53.73 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.091 -0.959 . . . . 73.53 111.94 -176.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -69.74 -37.45 76.46 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.906 -0.405 . . . . 72.35 109.906 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 76.6 mm-40 -82.82 -27.57 30.8 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.129 -0.487 . . . . 65.42 110.971 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 30.0 tt0 -45.27 -57.16 4.18 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 125.491 1.517 . . . . 70.44 112.186 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.28 -44.94 93.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 124.143 0.902 . . . . 74.51 111.601 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -62.82 -43.27 99.24 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.46 0.704 . . . . 74.01 110.629 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 25.2 t80 -64.92 -64.12 0.94 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.946 1.298 . . . . 74.12 112.169 -174.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.71 -38.52 88.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.806 0.843 . . . . 71.11 111.428 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -64.4 -38.53 91.35 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.123 0.265 . . . . 73.45 110.787 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.4 m -64.16 -40.56 96.4 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.007 0.523 . . . . 64.14 111.976 176.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 457' ' ' LEU . 84.4 mt -59.31 -50.01 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-O 121.964 0.888 . . . . 74.52 110.102 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.6 -29.26 63.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.285 -0.87 . . . . 75.15 111.238 -175.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.3 t -77.1 -30.84 55.52 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 117.653 0.206 . . . . 65.42 111.497 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.7 m -72.84 -31.7 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 109.644 -0.502 . . . . 73.44 109.644 170.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.618 ' HE1' ' HG2' ' A' ' 460' ' ' GLN . 22.0 mmt -79.95 -7.58 58.86 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.044 0.757 . . . . 74.42 113.044 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.6 -30.17 70.86 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 120.901 0.382 . . . . 74.32 110.46 167.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -87.95 -7.32 57.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.626 0.771 . . . . 71.33 111.539 175.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 59.7 30.21 19.79 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.951 0.9 . . . . 75.14 111.372 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.6 m 62.34 100.24 0.04 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.597 1.159 . . . . 70.45 110.451 -173.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.487 ' O ' HG12 ' A' ' 56' ' ' ILE . 32.5 Cg_exo -58.02 122.12 11.17 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 122.928 2.419 . . . . 74.14 111.325 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -62.48 -10.04 17.69 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.86 2.374 . . . . 74.52 114.634 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.89 61.17 4.34 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 112.665 -0.174 . . . . 70.02 112.665 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 53' ' ' PRO . 42.0 mm -120.69 114.37 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.417 1.087 . . . . 73.33 108.344 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 t -75.2 166.08 24.19 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.641 -0.503 . . . . 73.53 109.641 173.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -20.82 65.67 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.462 0.541 . . . . 75.44 112.462 -173.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.4 t -69.51 -52.41 26.68 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.036 0.534 . . . . 72.31 110.141 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.571 ' HA ' ' HE3' ' A' ' 63' ' ' MET . 96.7 mt -66.01 -43.3 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.108 0.963 . . . . 72.23 110.069 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -49.36 -48.34 46.83 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.753 1.621 . . . . 74.41 111.428 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.01 -39.01 72.65 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 123.721 0.638 . . . . 74.52 111.75 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.571 ' HE3' ' HA ' ' A' ' 60' ' ' ILE . 43.2 mtm -60.51 -61.82 2.31 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.439 0.637 . . . . 72.42 110.377 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.9 m -62.18 -32.57 55.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-N 114.619 -1.173 . . . . 74.53 112.24 -176.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.73 75.71 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 123.1 0.25 . . . . 73.41 110.55 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.34 -40.87 99.22 Favored Glycine 0 C--N 1.354 1.549 0 N-CA-C 111.748 -0.541 . . . . 75.04 111.748 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.456 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 45.7 m-85 -68.73 -36.68 78.72 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.675 0.62 . . . . 75.34 112.675 177.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 64' ' ' VAL . 59.2 mt -70.7 -38.78 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 108.996 -0.742 . . . . 72.31 108.996 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -46.16 84.82 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.732 0.813 . . . . 75.42 109.601 177.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -65.11 -42.4 93.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.374 -0.83 . . . . 72.34 111.802 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.419 HG21 ' HA ' ' A' ' 68' ' ' ILE . 1.9 t -72.22 -32.85 67.12 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.065 0.228 . . . . 64.3 110.93 -175.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.83 -44.23 86.2 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.672 0.789 . . . . 70.43 110.393 176.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.408 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 12.5 t70 -54.97 -59.16 5.12 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.742 1.276 . . . . 72.45 110.52 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -62.66 -42.61 99.71 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.851 0.719 . . . . 74.4 111.586 -175.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.532 ' HA ' HD13 ' A' ' 78' ' ' LEU . 35.6 tt0 -73.05 -24.35 60.69 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.887 0.875 . . . . 64.42 112.088 -175.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.72 -34.73 60.35 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.433 0.635 . . . . 72.23 110.376 173.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 83.9 mt -73.42 -29.19 62.41 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.51 -0.768 . . . . 63.22 110.39 175.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -67.3 -43.13 82.47 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.209 0.603 . . . . 72.3 109.584 170.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -53.21 -52.36 59.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.56 0.744 . . . . 71.34 110.081 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.24 -52.44 36.16 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 123.535 0.522 . . . . 75.11 113.693 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.94 -50.65 65.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.751 0.82 . . . . 74.43 110.382 -172.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.21 -26.94 64.11 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.013 -0.539 . . . . 74.34 111.146 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.432 ' N ' ' HE3' ' A' ' 447' ' ' MET . 8.9 tt0 -61.76 -41.54 97.82 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 118.422 0.556 . . . . 75.14 110.36 173.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -58.72 -50.73 72.83 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.105 0.878 . . . . 73.23 109.584 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -57.86 -49.24 77.37 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.184 0.927 . . . . 72.14 111.467 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.05 -36.91 83.09 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.811 0.844 . . . . 74.22 112.007 -175.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.26 -41.7 89.54 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.042 0.537 . . . . 54.55 109.642 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.25 -49.02 66.0 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.936 -1.029 . . . . 73.11 110.773 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.93 -35.93 82.29 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.757 0.823 . . . . 74.4 111.323 -178.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -63.84 -44.08 94.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.308 0.643 . . . . 63.22 110.134 176.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 22.8 t -64.73 -39.83 94.3 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.698 -0.683 . . . . 74.44 110.909 177.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.81 -55.57 25.17 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.408 0.683 . . . . 74.2 111.3 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.77 -34.65 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 124.039 0.837 . . . . 73.1 110.086 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.19 96.93 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 115.665 -0.698 . . . . 75.43 113.727 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 91' ' ' SER . 11.5 mm100 -79.88 -37.04 35.65 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.948 0.374 . . . . 73.45 111.548 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.33 -36.4 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 112.702 0.63 . . . . 75.53 112.702 -172.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 108.239 -1.022 . . . . 74.12 108.239 -178.755 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.285 -0.265 . . . . 75.22 110.285 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -55.42 -52.76 62.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.715 0.806 . . . . 74.1 111.07 171.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 38.0 mt-10 -66.85 -38.97 87.4 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.615 -1.175 . . . . 73.44 111.112 -173.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 6.1 t -70.76 -36.26 73.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 110.199 -0.297 . . . . 74.24 110.199 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.31 -44.52 94.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 C-N-CA 123.021 0.528 . . . . 70.41 109.993 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.82 -47.41 75.16 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.547 0.739 . . . . 75.3 111.701 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 21.2 mmt180 -76.48 -36.41 57.87 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.74 0.416 . . . . 75.51 110.96 -173.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -74.46 -26.13 59.84 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 119.215 -0.422 . . . . 71.21 110.914 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -73.98 -31.02 62.79 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.793 0.437 . . . . 65.21 109.868 171.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.15 69.68 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.033 -0.729 . . . . 74.1 109.033 172.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 25.1 mm-40 -65.78 -38.91 90.31 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.143 -0.48 . . . . 72.43 110.74 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -69.79 -64.37 0.9 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.707 0.403 . . . . 73.0 110.284 -177.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 36.1 m -57.91 -36.48 72.5 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.006 0.922 . . . . 74.44 112.466 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -71.53 -44.07 65.3 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.433 0.293 . . . . 72.32 111.787 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.486 HD11 HD21 ' A' ' 34' ' ' LEU . 10.6 mp -72.68 -19.7 61.37 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.359 0.263 . . . . 74.22 111.1 174.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -82.36 -45.78 14.44 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.275 1.03 . . . . 74.31 110.598 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.0 t -68.51 -31.25 70.37 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.359 -0.608 . . . . 73.14 109.359 175.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.61 ' HG2' HD21 ' A' ' 450' ' ' LEU . 25.6 ttt -62.19 -46.84 87.14 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 115.731 -0.668 . . . . 75.15 109.479 170.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.58 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 7.2 ttm -63.33 -44.61 94.42 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.143 0.902 . . . . 74.13 112.517 -176.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 34.2 p -64.27 -40.61 96.33 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.745 0.418 . . . . 73.14 110.423 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -70.6 -41.36 72.4 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.963 -0.562 . . . . 75.54 111.584 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -75.62 -21.57 57.64 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.15 0.432 . . . . 72.52 110.507 -175.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -71.48 -48.65 47.83 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 108.933 -0.765 . . . . 74.5 108.933 172.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -60.48 -47.99 83.72 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.57 1.169 . . . . 74.45 110.084 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.44 HG21 ' HH ' ' A' ' 456' ' ' TYR . 40.2 p -62.14 -62.01 2.07 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.243 -0.89 . . . . 63.01 109.781 -178.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 85.0 p -51.02 -32.12 20.46 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.665 0.786 . . . . 71.4 112.873 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.8 t -62.11 -61.96 2.11 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.298 0.639 . . . . 73.14 110.755 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.44 ' HH ' HG21 ' A' ' 453' ' ' THR . 4.8 p90 -73.18 -20.19 60.94 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.156 0.428 . . . . 72.34 112.156 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.612 HD21 HG21 ' A' ' 44' ' ' ILE . 39.4 mt -73.09 -42.02 63.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.488 0.715 . . . . 74.15 110.621 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.5 t -74.13 -32.98 63.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.194 0.309 . . . . 75.04 110.409 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -66.7 -46.68 74.78 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.776 0.43 . . . . 62.43 110.85 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . 0.618 ' HG2' ' HE1' ' A' ' 48' ' ' MET . 25.3 tp60 -66.61 -32.47 73.81 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.517 0.727 . . . . 74.43 110.8 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -62.85 -54.9 31.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.415 0.686 . . . . 71.34 109.534 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 30.2 m -65.41 -34.34 78.08 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.105 0.878 . . . . 75.01 111.132 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -78.57 -54.6 5.96 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.712 0.405 . . . . 71.31 111.71 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 47.5 ttp -64.57 -31.49 72.73 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.167 0.187 . . . . 73.05 110.724 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -74.02 -71.52 0.32 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 109.392 -0.595 . . . . 71.45 109.392 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.47 77.71 1.6 Allowed 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 112.384 0.512 . . . . 75.42 112.384 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.483 1.202 0 O-C-N 121.542 -0.724 . . . . 74.32 109.192 166.77 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 113.414 0.894 . . . . 65.05 113.414 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -63.93 -37.21 86.56 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.625 0.77 . . . . 73.35 111.673 -175.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.409 ' O ' HG13 ' A' ' 8' ' ' ILE . 20.8 m -78.2 -34.76 49.23 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.848 -0.615 . . . . 74.32 111.538 -176.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.44 -39.56 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.145 0.43 . . . . 71.24 110.533 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.61 -39.93 94.59 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 109.505 -0.554 . . . . 73.51 109.505 176.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 4' ' ' THR . 74.9 t80 -50.42 -54.24 23.43 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 124.182 0.993 . . . . 75.23 110.876 170.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 60' ' ' ILE . 96.5 mt -56.03 -61.28 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 124.512 1.125 . . . . 74.25 112.202 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 59.0 m-80 -65.94 -36.74 84.19 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.93 -0.577 . . . . 74.34 112.21 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.462 ' O ' HG13 ' A' ' 14' ' ' ILE . 49.9 mtm180 -73.34 -41.02 63.97 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 118.893 -0.575 . . . . 74.33 111.256 -177.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 58.3 m95 -60.77 -36.88 80.07 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 118.064 0.393 . . . . 73.13 110.85 173.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.1 tt0 -59.16 -44.3 92.13 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 115.608 -0.723 . . . . 73.14 109.929 174.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 49.6 mmt-85 -62.91 -43.47 98.71 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 123.485 0.49 . . . . 73.44 110.849 176.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.7 mt -58.01 -42.18 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 123.88 0.872 . . . . 73.21 110.92 -176.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.91 -44.13 66.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.016 0.527 . . . . 73.52 112.231 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 98.1 mt -64.35 -45.21 88.79 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.275 0.63 . . . . 75.54 110.855 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.8 mt -67.89 -48.08 67.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.075 0.95 . . . . 72.11 109.981 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.459 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 61.4 p -56.28 -42.85 78.14 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.795 0.684 . . . . 71.42 111.431 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.34 -48.81 80.14 Favored 'General case' 0 C--O 1.245 0.846 0 O-C-N 124.361 1.038 . . . . 74.32 111.194 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.1 m -59.95 -60.13 4.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.881 -1.054 . . . . 74.12 111.293 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.612 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.1 pp -68.71 -19.85 64.38 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.78 0.832 . . . . 72.22 112.103 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.61 -55.41 23.91 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.626 -0.509 . . . . 74.43 109.626 170.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.61 -24.63 66.35 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 124.171 0.92 . . . . 73.12 111.519 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 21' ' ' LEU . 84.8 mt -74.13 -44.92 51.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.674 0.79 . . . . 71.11 110.448 175.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.516 ' HB3' HD11 ' A' ' 33' ' ' LEU . . . -66.16 -35.91 81.71 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.406 0.682 . . . . 74.14 110.88 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -68.26 -39.15 82.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.872 1.269 . . . . 64.1 110.394 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.433 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -75.41 -25.94 57.97 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.44 0.696 . . . . 75.44 110.812 177.311 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.76 7.46 55.47 Favored Glycine 0 C--N 1.348 1.232 0 O-C-N 123.633 0.583 . . . . 60.4 113.072 -176.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 6.1 mm-40 -73.78 90.93 1.89 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.565 0.746 . . . . 74.21 109.666 175.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -82.22 -34.37 28.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.238 0.615 . . . . 75.43 112.01 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.85 -43.12 99.49 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.928 0.491 . . . . 72.42 109.803 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' A' ' 24' ' ' LEU . 71.4 mt -75.26 -36.17 61.28 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.164 -0.926 . . . . 74.32 111.248 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' A' ' 21' ' ' LEU . 58.0 tp -56.0 -51.2 68.59 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.147 0.579 . . . . 74.31 110.557 175.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.464 HD22 HD13 ' A' ' 443' ' ' LEU . 64.2 mt -78.97 -19.91 50.5 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.721 -1.127 . . . . 74.52 111.627 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.94 -37.57 75.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.859 0.463 . . . . 73.3 110.534 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 76.3 mm-40 -86.62 -25.84 24.72 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 122.742 0.417 . . . . 72.31 110.932 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -44.44 -57.71 3.4 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 125.809 1.644 . . . . 64.4 112.261 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.2 m -56.59 -49.63 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 114.475 -1.239 . . . . 73.14 111.788 -172.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -67.57 -44.44 78.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.582 0.753 . . . . 75.33 110.915 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.9 t80 -59.26 -60.89 3.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.259 1.423 . . . . 72.33 112.065 -175.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.88 -40.9 94.77 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.04 0.838 . . . . 74.45 110.205 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.56 -38.81 82.11 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.158 0.583 . . . . 74.54 111.756 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -65.61 -41.91 92.22 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.321 0.649 . . . . 61.11 111.027 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.499 HG21 HD23 ' A' ' 457' ' ' LEU . 57.9 mt -63.27 -42.57 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 121.884 0.85 . . . . 74.44 110.216 175.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.99 -37.17 85.28 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.943 -1.026 . . . . 72.22 111.795 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 t -84.68 -26.4 27.78 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 112.525 0.565 . . . . 73.33 112.525 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.85 -37.5 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-N 118.709 0.686 . . . . 73.32 109.94 171.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.609 ' HE3' ' HG2' ' A' ' 460' ' ' GLN . 23.5 mmt -80.71 -18.25 48.47 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 116.057 -0.52 . . . . 62.52 111.993 177.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -67.15 -34.43 77.55 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.046 0.938 . . . . 62.52 109.761 170.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -89.2 9.38 25.94 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 114.886 -1.052 . . . . 74.31 110.168 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 71.2 -0.4 3.1 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.123 1.769 . . . . 74.01 112.942 168.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.9 m 57.11 90.37 0.09 OUTLIER Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 124.308 1.043 . . . . 65.03 110.324 -167.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.461 ' O ' HG12 ' A' ' 56' ' ' ILE . 53.1 Cg_exo -53.75 130.18 37.75 Favored 'Trans proline' 0 C--N 1.386 2.517 0 C-N-CA 122.99 2.46 . . . . 72.32 111.844 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.61 2.63 7.61 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.203 1.935 . . . . 72.43 113.773 -175.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.82 35.17 4.06 Favored Glycine 0 C--N 1.349 1.296 0 C-N-CA 122.867 0.27 . . . . 71.33 113.14 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 53' ' ' PRO . 36.6 mm -84.57 121.09 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.086 0.954 . . . . 74.53 109.539 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -81.69 174.15 11.65 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 122.897 0.479 . . . . 74.54 110.663 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 59' ' ' SER . 7.0 ppt_? -67.47 -34.89 78.1 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.491 0.923 . . . . 72.34 113.491 -165.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.442 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 48.5 t -69.85 -40.11 75.99 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.234 0.54 . . . . 53.13 110.333 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.594 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 74.4 mt -72.35 -39.91 64.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 114.999 -1.001 . . . . 72.21 109.987 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.22 -41.06 96.2 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.919 0.888 . . . . 74.43 110.5 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.61 -48.84 77.67 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.792 0.683 . . . . 72.12 110.899 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.594 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 54.8 mtm -57.2 -53.66 55.56 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 123.689 0.618 . . . . 74.44 110.584 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 68' ' ' ILE . 19.6 m -75.1 -23.8 17.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-N 115.91 -0.586 . . . . 74.44 112.488 -173.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.27 81.54 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.34 -0.615 . . . . 71.13 109.34 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.88 97.72 Favored Glycine 0 C--N 1.351 1.394 0 CA-C-N 115.554 -0.748 . . . . 70.43 112.055 171.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.405 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.4 m-85 -67.75 -39.06 84.22 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.012 0.525 . . . . 71.24 111.882 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 64' ' ' VAL . 70.3 mt -70.74 -41.37 77.54 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 108.981 -0.748 . . . . 74.43 108.981 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -54.84 -47.79 73.7 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.416 0.686 . . . . 75.34 111.189 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.63 -48.26 77.99 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.475 -0.784 . . . . 74.3 110.716 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.486 HG23 ' HA ' ' A' ' 68' ' ' ILE . 2.2 t -69.24 -26.91 65.02 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 123.366 0.416 . . . . 74.01 111.128 -175.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.0 mt -69.36 -46.43 67.01 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 122.714 0.406 . . . . 72.54 110.405 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.17 -58.35 8.6 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.435 1.084 . . . . 73.22 110.426 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -62.79 -44.86 95.07 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.136 -0.938 . . . . 73.43 111.941 -173.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 78' ' ' LEU . 42.6 tt0 -76.21 -23.95 54.65 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.546 0.738 . . . . 64.22 112.271 -174.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -73.0 -37.76 66.85 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.038 0.446 . . . . 75.32 110.11 171.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.88 -34.87 79.12 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.679 -0.692 . . . . 73.33 110.348 174.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 75' ' ' GLU . 87.4 mt -65.12 -44.66 88.0 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.158 0.583 . . . . 73.53 110.564 172.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -51.03 -54.45 24.56 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.994 0.918 . . . . 75.11 110.609 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.01 -44.08 37.91 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 114.616 0.607 . . . . 54.53 114.616 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.54 -53.62 48.93 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.446 0.698 . . . . 74.33 110.027 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.7 -26.12 66.02 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.602 -0.726 . . . . 75.11 110.993 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.48 -44.2 96.96 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 118.476 0.58 . . . . 74.12 110.54 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -58.02 -51.2 70.66 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.124 0.89 . . . . 75.24 109.316 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -55.52 -45.42 77.13 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.307 1.004 . . . . 74.21 111.532 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.7 mt -71.7 -34.55 69.72 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.939 0.496 . . . . 71.31 111.519 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.38 -38.52 84.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.135 0.574 . . . . 73.14 110.209 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 40.2 mt-10 -66.22 -55.72 14.85 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.064 -0.971 . . . . 64.23 109.926 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 93' ' ' ILE . 94.0 mt -58.09 -44.79 87.81 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 124.06 0.944 . . . . 74.41 110.607 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.6 t -57.64 -46.85 83.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.787 0.835 . . . . 73.32 111.654 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.8 t -63.84 -36.26 83.32 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.735 -0.666 . . . . 74.52 110.948 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.0 mt -70.0 -43.19 71.9 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.417 0.687 . . . . 75.01 110.982 177.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 89' ' ' LEU . 96.4 mt -61.83 -40.39 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.549 1.139 . . . . 74.42 110.124 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.81 -27.1 67.91 Favored Glycine 0 C--N 1.347 1.166 0 O-C-N 123.193 0.308 . . . . 72.3 113.575 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -78.87 -42.9 26.23 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.507 0.723 . . . . 74.13 111.292 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.485 HG21 HG23 ' A' ' 433' ' ' VAL . 16.1 m -101.95 -16.18 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 113.726 1.01 . . . . 74.53 113.726 -168.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.546 ' HG ' HG12 ' A' ' 433' ' ' VAL . 3.4 tt . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 107.727 -1.212 . . . . 75.21 107.727 177.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.549 -0.167 . . . . 74.23 110.549 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.61 -54.12 48.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.423 0.689 . . . . 74.14 111.284 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 55.6 mt-10 -63.8 -52.61 59.45 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.717 1.26 . . . . 74.42 111.511 -173.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.6 t -60.21 -47.64 85.11 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 123.393 0.433 . . . . 74.21 111.183 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . 0.546 HG12 ' HG ' ' A' ' 97' ' ' LEU . 75.3 t -63.88 -44.03 97.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 123.202 0.601 . . . . 71.52 110.577 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -61.92 -31.84 72.19 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.256 0.622 . . . . 72.51 112.053 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 38.6 mmt-85 -72.3 -44.7 62.35 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.542 0.337 . . . . 74.54 110.444 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -64.87 -35.59 81.61 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.198 0.311 . . . . 74.5 110.905 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -73.0 -40.92 64.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.989 0.915 . . . . 75.3 110.562 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.7 72.76 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.866 0.467 . . . . 72.03 110.595 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -60.08 -41.04 91.62 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.073 0.549 . . . . 72.15 111.54 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.31 -55.29 36.66 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.538 0.523 . . . . 74.54 109.983 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.5 m -64.87 -33.38 75.87 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.664 1.186 . . . . 74.24 112.437 -173.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -76.53 -45.41 30.9 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.378 0.671 . . . . 74.52 111.538 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.464 HD13 HD22 ' A' ' 34' ' ' LEU . 9.4 mp -71.4 -19.62 62.24 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 122.665 0.386 . . . . 72.23 110.353 173.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.2 -48.75 19.27 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.359 1.064 . . . . 71.41 111.029 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -68.06 -34.48 76.54 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 109.8 -0.445 . . . . 73.53 109.8 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.583 ' HG2' HD22 ' A' ' 450' ' ' LEU . 26.0 ttt -61.25 -44.61 96.97 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.711 0.632 . . . . 75.13 109.589 173.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.642 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 45.6 ttm -66.93 -47.22 72.37 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 124.109 0.88 . . . . 75.43 112.569 -176.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 16.3 p -60.99 -41.16 95.93 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 122.949 0.5 . . . . 74.32 110.674 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -70.8 -41.87 71.03 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.385 -0.825 . . . . 64.21 111.348 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.642 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 1.9 pp -74.94 -18.39 60.41 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 118.268 0.486 . . . . 70.51 110.987 -176.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -79.96 -43.77 21.46 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.688 0.795 . . . . 73.15 109.412 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -59.85 -50.15 74.93 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 115.206 -0.906 . . . . 74.53 110.032 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.498 HG23 ' HH ' ' A' ' 456' ' ' TYR . 59.2 p -61.22 -57.96 10.25 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.032 -0.985 . . . . 55.4 110.101 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 81.4 p -50.03 -37.42 32.98 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.835 0.854 . . . . 71.01 112.786 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.9 t -59.56 -60.78 3.29 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 124.143 0.902 . . . . 72.33 111.114 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.498 ' HH ' HG23 ' A' ' 453' ' ' THR . 2.5 p90 -75.32 -19.33 59.7 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.647 0.61 . . . . 74.13 112.647 -177.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.499 HD23 HG21 ' A' ' 44' ' ' ILE . 47.5 mt -75.11 -42.47 56.46 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.504 0.722 . . . . 73.04 110.496 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.4 t -72.25 -31.33 65.7 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.969 -0.382 . . . . 74.42 109.969 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -65.93 -44.02 86.36 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.734 0.413 . . . . 63.45 111.051 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . 0.609 ' HG2' ' HE3' ' A' ' 48' ' ' MET . 26.6 tp60 -69.8 -28.05 65.4 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.532 0.733 . . . . 73.23 110.802 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -72.56 -48.51 39.52 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.87 0.468 . . . . 73.12 110.167 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 45.5 m -57.37 -42.52 82.25 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.312 1.008 . . . . 73.34 110.082 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.0 -47.85 56.5 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 123.741 0.65 . . . . 71.21 112.404 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 55.6 ttm -66.6 -31.63 72.44 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 122.857 0.463 . . . . 74.04 110.621 -173.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -84.82 -63.84 1.26 Allowed 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.879 -0.601 . . . . 72.55 109.884 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.58 81.74 2.0 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.269 0.628 . . . . 74.5 112.181 174.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.253 1.278 0 O-C-N 121.275 -0.891 . . . . 75.43 110.383 166.803 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 113.762 1.023 . . . . 74.45 113.762 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -58.92 -43.86 91.18 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.576 0.703 . . . . 62.45 111.902 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 61.1 m -75.72 -35.62 60.21 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.325 -0.852 . . . . 74.14 111.597 -177.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -74.79 -39.82 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 122.048 -0.408 . . . . 74.12 110.677 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.43 -36.64 84.55 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 121.478 0.656 . . . . 75.32 109.906 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' THR . 74.8 t80 -53.92 -61.37 2.35 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 114.848 -1.069 . . . . 73.21 110.742 171.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.411 HG12 HG22 ' A' ' 60' ' ' ILE . 94.1 mt -57.96 -55.6 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 124.19 0.996 . . . . 74.4 111.942 -177.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -53.65 -48.31 69.52 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.754 -1.112 . . . . 71.22 112.387 -176.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.483 ' O ' HG13 ' A' ' 14' ' ' ILE . 21.4 mtm180 -80.57 -26.11 38.15 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 118.249 -0.881 . . . . 73.11 111.813 -174.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.435 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 47.0 m95 -66.63 -39.04 88.11 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.146 0.885 . . . . 75.14 110.222 171.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -57.46 -46.13 83.99 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.715 0.635 . . . . 62.5 109.965 171.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -58.82 -45.57 89.65 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.569 -0.741 . . . . 75.24 110.991 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 10' ' ' ARG . 93.2 mt -57.39 -44.13 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.771 0.829 . . . . 73.11 110.748 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.73 -43.1 76.65 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.53 0.567 . . . . 73.11 112.53 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.83 -46.28 82.6 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 116.058 -0.519 . . . . 74.43 111.348 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.5 mt -68.13 -46.15 71.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.953 0.901 . . . . 75.2 109.917 -175.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 48.0 p -58.58 -47.5 84.06 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.759 0.662 . . . . 72.14 111.135 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.39 -46.72 83.13 Favored 'General case' 0 C--O 1.243 0.735 0 O-C-N 124.389 1.056 . . . . 74.4 111.758 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.452 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.3 m -61.29 -60.09 4.27 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.505 -0.771 . . . . 72.45 110.391 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.565 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -66.24 -23.21 66.38 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.268 0.627 . . . . 72.34 111.868 -175.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.2 -55.98 23.18 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 109.312 -0.625 . . . . 70.53 109.312 173.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.09 -35.3 78.27 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.398 1.061 . . . . 73.3 111.065 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 32' ' ' LEU . 69.3 mt -65.89 -46.39 78.51 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.505 0.722 . . . . 73.35 110.542 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.511 ' HB3' HD11 ' A' ' 33' ' ' LEU . . . -67.21 -34.91 78.5 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.987 0.915 . . . . 64.52 111.935 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.77 -25.45 53.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.477 1.111 . . . . 75.23 110.494 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -77.94 -25.24 48.17 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.656 -0.702 . . . . 74.34 110.456 168.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.16 0.88 47.95 Favored Glycine 0 C--N 1.349 1.279 0 CA-C-N 115.934 -0.575 . . . . 71.41 113.237 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.14 83.27 1.81 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.508 0.723 . . . . 74.14 109.892 171.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.42 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 34.2 m95 -67.03 -35.91 80.93 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 114.951 -1.022 . . . . 74.34 110.707 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -56.69 -46.96 80.88 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.761 0.663 . . . . 62.32 110.963 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB3' HD13 ' A' ' 24' ' ' LEU . 75.2 mt -73.29 -34.73 65.91 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.374 -0.83 . . . . 72.24 111.058 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 21' ' ' LEU . 33.7 tp -54.4 -52.83 60.48 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.888 0.875 . . . . 72.45 111.21 171.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.49 HD23 HD12 ' A' ' 443' ' ' LEU . 65.9 mt -70.64 -28.42 64.81 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.718 1.207 . . . . 73.21 111.444 -174.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -59.89 -45.34 92.8 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.417 0.627 . . . . 74.4 109.77 172.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 89.7 mm-40 -87.57 -14.16 40.93 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.871 -1.059 . . . . 72.33 111.942 -176.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.83 -57.77 9.1 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.551 1.14 . . . . 73.41 110.929 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 m -58.58 -41.38 81.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-N 114.223 -1.353 . . . . 74.43 111.422 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -64.19 -45.15 89.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.558 0.743 . . . . 72.33 110.568 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 17.8 t80 -67.35 -60.62 2.43 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.505 -1.225 . . . . 63.33 111.466 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.46 -39.06 86.2 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.883 0.739 . . . . 74.55 110.72 -177.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -62.89 -40.23 96.89 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.279 0.632 . . . . 72.14 111.369 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -62.1 -40.16 94.92 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.64 0.376 . . . . 75.32 111.262 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.405 HG21 HD21 ' A' ' 457' ' ' LEU . 57.2 mt -64.78 -42.33 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 121.229 0.538 . . . . 75.52 110.256 174.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.9 -46.19 88.97 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.633 -0.712 . . . . 73.44 111.277 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -72.69 -33.45 66.52 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 112.346 0.499 . . . . 73.05 112.346 -173.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.68 -33.17 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-N 118.328 0.513 . . . . 74.12 110.707 173.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.4 mmt -81.58 -20.34 40.07 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.486 0.55 . . . . 74.04 112.486 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -77.21 -31.07 54.99 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.011 0.524 . . . . 73.41 110.533 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -84.82 -5.39 59.33 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 115.807 -0.633 . . . . 72.34 109.821 171.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 65.34 14.0 9.16 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.808 1.643 . . . . 73.03 113.387 167.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.0 m 64.59 113.63 0.03 OUTLIER Pre-proline 0 CA--C 1.561 1.395 0 C-N-CA 124.403 1.081 . . . . 63.55 110.816 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.44 ' HG2' HD13 ' A' ' 56' ' ' ILE . 33.3 Cg_endo -63.12 146.62 94.42 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.572 2.182 . . . . 75.41 111.771 173.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -72.91 -15.28 26.44 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.98 2.453 . . . . 72.21 113.209 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.51 59.77 4.89 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 123.008 0.337 . . . . 73.43 112.894 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.44 HD13 ' HG2' ' A' ' 53' ' ' PRO . 43.9 mm -118.77 109.78 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.438 1.095 . . . . 64.12 108.82 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.4 t -76.39 172.5 12.82 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.331 0.653 . . . . 73.32 110.47 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -27.29 66.24 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.527 0.731 . . . . 72.04 112.141 -171.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -71.15 -47.12 59.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.22 0.608 . . . . 72.53 109.807 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.599 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 89.7 mt -64.19 -42.99 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 115.604 -0.725 . . . . 71.15 110.2 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -51.36 -50.9 58.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.591 1.157 . . . . 75.35 110.748 173.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.06 -43.92 94.02 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.487 -0.779 . . . . 65.42 111.346 -176.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.599 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 35.1 mtm -60.36 -59.79 4.85 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.455 0.472 . . . . 75.05 110.159 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 68' ' ' ILE . 29.9 m -64.99 -37.59 80.65 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-N 115.451 -0.795 . . . . 70.53 111.667 -173.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.14 -32.17 73.72 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 118.07 0.395 . . . . 74.2 110.645 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.74 -45.89 94.81 Favored Glycine 0 C--N 1.347 1.148 0 N-CA-C 111.556 -0.618 . . . . 74.22 111.556 170.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.438 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 37.5 m-85 -64.47 -33.48 75.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.998 0.519 . . . . 73.51 111.717 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 64' ' ' VAL . 73.2 mt -69.52 -44.25 79.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 108.722 -0.844 . . . . 75.43 108.722 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.3 -40.4 94.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.126 0.57 . . . . 73.5 110.773 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 26.1 mt-30 -62.66 -49.63 74.37 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.858 -0.61 . . . . 73.51 110.529 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.421 HG21 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -68.75 -30.07 68.6 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.244 -0.889 . . . . 64.14 111.021 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.23 -39.63 82.28 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.875 0.87 . . . . 70.55 110.757 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.72 -50.9 69.29 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.887 0.742 . . . . 72.03 109.95 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -62.46 -45.36 93.42 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.864 -1.062 . . . . 73.11 110.726 -178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.447 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.5 tt0 -77.54 -20.73 53.7 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.22 1.008 . . . . 74.53 111.75 -176.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.48 -41.07 76.66 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.222 0.609 . . . . 75.01 109.59 171.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.7 -37.14 76.49 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.966 -1.016 . . . . 74.24 110.6 175.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -63.28 -39.41 94.51 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.008 0.523 . . . . 73.02 110.095 174.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -57.39 -56.04 26.98 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.418 0.687 . . . . 72.44 109.962 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.7 -57.29 12.89 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-N 115.638 -0.71 . . . . 65.2 112.913 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.86 -58.63 7.29 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.909 1.283 . . . . 72.4 111.005 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 79.5 mt -65.88 -36.01 82.24 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 119.022 -0.513 . . . . 71.21 111.462 -174.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.62 -39.23 93.35 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 118.337 0.517 . . . . 70.22 111.188 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.67 -47.62 85.45 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.012 -0.54 . . . . 75.54 110.038 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -57.23 -46.14 83.23 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 123.659 0.783 . . . . 74.41 111.193 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 92.5 mt -66.66 -32.29 73.52 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.661 0.785 . . . . 73.41 111.418 -178.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.62 -47.44 69.64 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.482 0.658 . . . . 73.2 110.011 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.2 -44.14 89.33 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.525 -1.216 . . . . 73.05 110.448 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.448 ' O ' HG13 ' A' ' 93' ' ' ILE . 83.4 mt -64.49 -39.8 94.48 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.508 0.723 . . . . 64.12 110.781 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -63.77 -39.2 93.68 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.322 0.649 . . . . 64.03 110.6 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 t -67.41 -37.18 82.68 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.174 -0.921 . . . . 71.11 110.679 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.66 -42.53 86.47 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.242 0.617 . . . . 74.52 110.634 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 89' ' ' LEU . 84.3 mt -64.61 -37.44 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 123.874 0.87 . . . . 75.04 109.999 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.72 -20.5 66.29 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 116.023 -0.535 . . . . 52.55 113.793 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -98.15 -41.43 7.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.068 0.947 . . . . 73.0 111.367 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.448 HG22 HG22 ' A' ' 433' ' ' VAL . 35.1 m -83.53 -33.04 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 122.918 0.487 . . . . 63.0 111.731 -172.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 108.128 -1.064 . . . . 71.11 108.128 177.623 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.073 -0.343 . . . . 74.24 110.073 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.9 -51.43 63.72 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.341 0.657 . . . . 72.21 111.399 173.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 39.6 mt-10 -62.5 -51.73 66.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.821 0.848 . . . . 72.35 111.2 -173.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.1 t -67.07 -40.31 87.0 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.399 0.437 . . . . 74.04 111.252 -177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . 0.502 ' HA ' ' HD2' ' A' ' 436' ' ' TYR . 79.3 t -69.17 -31.19 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 122.359 0.263 . . . . 71.31 110.472 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.38 60.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 119.143 -0.456 . . . . 74.45 111.033 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 28.7 mmt180 -72.38 -40.99 66.83 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.974 0.509 . . . . 75.33 110.059 172.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . 0.502 ' HD2' ' HA ' ' A' ' 433' ' ' VAL . 50.5 m-85 -62.23 -51.51 67.45 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.978 -0.379 . . . . 72.12 109.978 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -65.33 -30.81 71.69 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.854 1.346 . . . . 74.41 111.153 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.79 -61.63 1.96 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.266 -0.642 . . . . 74.15 109.266 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -63.69 -28.41 69.88 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.722 0.409 . . . . 74.23 111.204 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -65.37 -63.57 1.07 Allowed 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 115.668 -0.696 . . . . 75.42 109.54 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 34.2 m -67.93 -32.93 73.73 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.994 0.918 . . . . 74.02 112.33 -171.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.09 -53.61 35.94 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.061 0.945 . . . . 75.25 111.041 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.49 HD12 HD23 ' A' ' 34' ' ' LEU . 7.4 mp -71.35 -18.39 62.38 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.661 177.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.2 -46.23 23.97 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.235 1.014 . . . . 64.03 111.242 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.9 t -66.44 -37.8 85.98 Favored 'General case' 0 C--O 1.247 0.939 0 N-CA-C 108.7 -0.852 . . . . 71.52 108.7 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.642 ' HG2' HD21 ' A' ' 450' ' ' LEU . 24.9 ttt -63.35 -42.84 98.93 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 115.888 -0.597 . . . . 75.44 110.115 173.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -53.79 54.32 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.945 0.898 . . . . 65.22 111.449 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 31.8 p -61.17 -40.73 94.97 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 123.998 0.811 . . . . 71.31 111.091 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -72.36 -40.77 67.09 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 116.024 -0.535 . . . . 75.35 111.522 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.642 HD21 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -74.25 -25.01 59.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 109.987 -0.375 . . . . 75.25 109.987 -175.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -73.54 -46.11 49.54 Favored 'General case' 0 C--O 1.246 0.873 0 C-N-CA 123.367 0.667 . . . . 75.44 109.458 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.78 -46.82 88.01 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.042 -0.981 . . . . 73.23 110.536 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.412 HG22 ' HH ' ' A' ' 456' ' ' TYR . 41.6 p -62.15 -62.6 1.66 Allowed 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 118.466 -0.778 . . . . 74.13 110.133 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 77.8 p -52.58 -31.05 34.24 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.34 0.656 . . . . 62.1 112.521 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.411 ' O ' HG21 ' A' ' 458' ' ' THR . 35.3 t -59.66 -64.99 0.75 Allowed 'General case' 0 CA--C 1.554 1.097 0 O-C-N 123.495 0.497 . . . . 70.13 110.831 173.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.412 ' HH ' HG22 ' A' ' 453' ' ' THR . 3.5 p90 -72.76 -19.4 61.37 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.366 0.506 . . . . 75.05 112.366 -177.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 44' ' ' ILE . 49.0 mt -76.66 -36.34 57.4 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.816 0.846 . . . . 74.33 110.788 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.411 HG21 ' O ' ' A' ' 455' ' ' SER . 5.2 t -73.27 -33.03 65.02 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.337 -0.616 . . . . 75.12 109.337 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -66.79 -37.74 85.16 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 123.419 0.45 . . . . 73.53 110.741 169.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -65.94 -40.35 91.3 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.688 0.795 . . . . 53.43 110.699 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -62.0 -53.1 60.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.538 0.735 . . . . 75.31 110.042 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 16.5 m -63.16 -36.09 82.46 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.085 -0.961 . . . . 74.23 111.838 -176.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -77.15 -52.61 8.98 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.913 0.485 . . . . 73.44 111.097 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.6 ttm -61.37 -34.55 75.5 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.756 -0.657 . . . . 73.21 110.677 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -76.58 -66.14 0.85 Allowed 'General case' 0 CA--C 1.553 1.083 0 O-C-N 123.922 0.764 . . . . 74.41 109.237 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.39 82.97 2.07 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.803 0.841 . . . . 73.1 112.321 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 CA--C 1.561 1.392 0 CA-C-O 118.551 -0.738 . . . . 72.33 110.361 162.523 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.8 p . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 111.869 0.322 . . . . 70.43 111.869 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -62.57 -38.54 90.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.65 0.78 . . . . 74.1 111.253 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 27.7 m -73.34 -42.11 62.66 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.524 -0.762 . . . . 54.21 111.606 -177.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 p -69.62 -38.92 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 110.449 -0.204 . . . . 73.53 110.449 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.2 -35.91 78.73 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 120.591 0.234 . . . . 75.3 110.433 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' CD1' ' HD2' ' A' ' 53' ' ' PRO . 35.8 t80 -52.4 -58.69 5.92 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.085 0.954 . . . . 75.32 110.304 170.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.493 HD12 HD13 ' A' ' 60' ' ' ILE . 89.9 mt -57.36 -53.62 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 124.7 1.2 . . . . 72.41 111.835 -177.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -44.33 97.09 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.009 -0.996 . . . . 75.32 111.66 -173.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' O ' HG13 ' A' ' 14' ' ' ILE . 78.0 mtm180 -78.7 -26.3 44.86 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.294 -0.412 . . . . 74.54 111.632 -177.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.465 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 35.2 m95 -67.12 -36.46 81.94 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 118.112 0.415 . . . . 72.53 110.191 169.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.68 -39.89 93.02 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.612 0.57 . . . . 70.42 109.796 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -57.84 -55.73 31.07 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.747 -0.66 . . . . 74.13 109.766 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 10' ' ' ARG . 97.3 mt -52.05 -48.22 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 124.331 1.052 . . . . 72.12 111.811 -176.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.0 -50.89 60.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.462 0.705 . . . . 71.32 112.214 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.16 -33.97 70.52 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.044 -0.525 . . . . 74.32 111.792 -175.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 85.0 mt -68.91 -53.12 22.79 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 118.803 -0.618 . . . . 73.54 109.722 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.441 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.0 p -54.55 -42.5 71.01 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 123.997 0.811 . . . . 74.43 111.259 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -56.97 -55.17 38.09 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.447 1.092 . . . . 74.42 111.487 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -63.28 -52.02 63.72 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.547 -0.751 . . . . 64.23 111.983 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.601 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.2 pp -69.82 -25.72 63.89 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.355 0.662 . . . . 70.1 111.325 -175.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.552 HD22 ' HA ' ' A' ' 74' ' ' ASN . 60.7 tp -61.05 -49.83 75.79 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.192 -0.669 . . . . 74.32 109.192 171.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.02 -43.79 86.94 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 124.183 0.927 . . . . 72.04 110.472 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD11 ' HA ' ' A' ' 21' ' ' LEU . 71.0 mt -64.11 -34.11 77.3 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.06 0.944 . . . . 72.33 111.458 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' ' 33' ' ' LEU . . . -70.53 -40.01 73.69 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.54 0.736 . . . . 72.53 111.03 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -68.29 -33.92 75.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.737 0.815 . . . . 64.24 110.654 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -76.03 -26.34 56.53 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.409 1.084 . . . . 75.31 110.58 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.14 -3.06 55.03 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.62 0.575 . . . . 75.23 113.524 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.14 90.4 1.56 Allowed 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 117.518 0.659 . . . . 63.54 110.19 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -75.28 -33.04 61.21 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.849 -1.069 . . . . 72.24 111.022 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -60.05 -47.29 86.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.056 0.542 . . . . 71.23 110.632 175.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 75.7 mt -72.22 -34.18 68.13 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.221 -0.899 . . . . 73.34 110.881 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 21' ' ' LEU . 60.2 tp -56.64 -50.75 71.12 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.791 0.837 . . . . 73.51 110.885 173.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.38 -26.76 62.92 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.579 1.152 . . . . 75.14 111.759 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.76 -42.37 95.18 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.115 0.566 . . . . 73.44 110.235 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 63.0 mm-40 -83.33 -25.69 31.24 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.201 -0.454 . . . . 75.02 110.858 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -50.04 -57.05 8.41 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.209 1.403 . . . . 61.24 111.982 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.4 m -55.82 -46.32 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.963 -1.017 . . . . 74.35 111.857 -170.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 p -73.93 -35.45 64.59 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.461 0.704 . . . . 75.44 110.565 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.3 t80 -62.51 -62.9 1.43 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.191 0.997 . . . . 74.14 111.701 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.72 -37.85 85.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.706 0.802 . . . . 74.51 110.709 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.84 -48.26 78.44 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.492 0.495 . . . . 75.45 110.318 174.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.6 m -61.94 -36.32 81.03 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.661 0.601 . . . . 73.05 111.6 -177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 457' ' ' LEU . 65.1 mt -64.64 -52.03 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 123.576 0.547 . . . . 74.24 110.021 175.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -58.99 -40.24 84.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.953 0.901 . . . . 75.33 111.639 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.4 t -79.89 -32.01 40.27 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.002 0.371 . . . . 71.15 112.002 -172.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.8 m -71.48 -25.39 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 118.825 0.739 . . . . 75.1 109.807 170.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 mmt -81.26 -14.83 57.02 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.685 0.794 . . . . 72.41 111.783 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.51 -30.91 67.8 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 117.946 0.339 . . . . 75.15 110.538 167.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -82.31 -21.67 36.0 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.945 0.498 . . . . 74.11 110.75 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 60.64 33.15 20.38 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.272 1.029 . . . . 75.33 111.303 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.6 m 66.08 105.71 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 124.776 1.23 . . . . 73.34 110.356 -171.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.443 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 76.1 Cg_exo -48.42 142.65 16.94 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.327 2.685 . . . . 74.4 113.814 169.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -70.79 -24.29 25.11 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.836 2.357 . . . . 71.12 112.625 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.73 58.37 4.9 Favored Glycine 0 C--N 1.35 1.316 0 O-C-N 123.431 0.457 . . . . 71.23 113.053 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.3 mm -116.9 116.11 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 107.425 -1.324 . . . . 74.21 107.425 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.1 t -79.09 175.39 10.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.909 0.483 . . . . 74.5 110.273 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -29.69 70.18 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.42 0.688 . . . . 75.43 111.315 -176.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 63' ' ' MET . 35.6 t -72.57 -47.03 51.35 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.954 0.501 . . . . 72.43 110.196 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.493 HD13 HD12 ' A' ' 8' ' ' ILE . 83.7 mt -67.86 -36.47 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.525 0.73 . . . . 72.44 110.774 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.71 -43.81 97.83 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.683 0.793 . . . . 74.11 110.012 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.49 -45.8 92.69 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 124.023 0.827 . . . . 75.33 110.851 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.457 ' HE3' ' HA ' ' A' ' 60' ' ' ILE . 31.8 mtm -55.88 -65.85 0.53 Allowed 'General case' 0 C--N 1.361 1.074 0 O-C-N 123.977 0.798 . . . . 73.41 109.316 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.0 m -67.61 -21.4 27.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 124.103 0.877 . . . . 71.43 112.753 -172.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.88 87.1 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.058 -0.719 . . . . 75.45 109.058 168.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.96 -43.22 99.22 Favored Glycine 0 CA--C 1.539 1.538 0 CA-C-N 115.204 -0.907 . . . . 72.43 113.778 170.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -60.2 -48.06 83.34 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 117.502 0.651 . . . . 75.22 110.916 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 64' ' ' VAL . 34.9 mt -68.49 -40.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 115.433 -0.803 . . . . 64.01 109.171 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -59.71 -39.17 83.77 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.877 0.471 . . . . 72.34 111.201 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.71 -55.69 31.2 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.166 0.586 . . . . 71.41 109.778 172.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -65.89 -27.62 68.34 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.234 -0.893 . . . . 73.54 111.94 -171.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 68' ' ' ILE . 82.4 mt -70.78 -46.7 62.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.547 0.739 . . . . 73.3 110.429 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.82 -51.74 66.44 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.47 1.106 . . . . 64.04 110.486 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.552 ' HA ' HD22 ' A' ' 22' ' ' LEU . 10.0 m120 -68.71 -42.61 77.47 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.474 -1.239 . . . . 74.33 111.526 -173.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HA ' HD11 ' A' ' 78' ' ' LEU . 35.8 tt0 -76.44 -23.08 53.91 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.636 0.774 . . . . 65.33 111.49 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -65.74 -44.79 84.91 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.639 0.776 . . . . 50.41 109.714 169.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.09 -27.0 62.37 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.216 -0.902 . . . . 73.4 111.216 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' A' ' 75' ' ' GLU . 98.3 mt -66.79 -43.12 84.77 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 109.545 -0.539 . . . . 72.23 109.545 170.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -56.91 -51.3 69.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.789 -0.641 . . . . 72.54 110.574 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.24 -55.63 20.24 Favored Glycine 0 CA--C 1.534 1.254 0 O-C-N 123.372 0.42 . . . . 53.41 113.38 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.73 -53.75 46.24 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.956 0.902 . . . . 64.51 111.085 -173.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.79 -28.74 67.85 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 118.695 -0.669 . . . . 73.53 111.092 -177.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.86 -42.65 99.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 118.724 0.693 . . . . 73.14 110.433 173.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.99 -47.44 85.81 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.898 0.749 . . . . 74.3 110.349 175.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 8.1 mmp_? -59.03 -49.44 77.87 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.18 0.592 . . . . 74.51 111.199 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.85 -33.61 75.97 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.444 1.098 . . . . 71.44 112.115 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.62 -46.37 88.59 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.963 0.789 . . . . 74.45 109.47 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 43.9 mt-10 -70.54 -41.25 72.75 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.732 -1.122 . . . . 75.14 111.008 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.02 -38.73 92.38 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.358 0.663 . . . . 74.21 110.389 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.1 t -66.97 -35.79 80.75 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.351 0.66 . . . . 65.34 110.281 175.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t -68.9 -31.91 71.16 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.155 0.582 . . . . 73.32 110.526 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 53.8 mt -70.52 -50.07 41.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.098 0.559 . . . . 72.22 109.932 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.5 mt -62.45 -34.87 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 124.416 1.086 . . . . 72.21 110.522 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.22 -18.17 66.85 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 115.875 -0.602 . . . . 70.33 113.568 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -101.03 -53.57 3.01 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.51 0.724 . . . . 74.43 110.495 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.42 HG22 HG21 ' A' ' 433' ' ' VAL . 23.8 m -73.1 -31.95 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.229 0.612 . . . . 75.32 112.058 -170.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 107.651 -1.241 . . . . 74.52 107.651 178.052 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 110.446 -0.205 . . . . 75.31 110.446 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.77 -43.0 94.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.242 0.617 . . . . 72.55 111.322 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 40.3 mt-10 -62.51 -56.44 18.01 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.252 0.97 . . . . 74.35 110.729 -176.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 10.1 t -61.94 -43.96 97.75 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.812 0.695 . . . . 74.5 111.217 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . 0.42 HG21 HG22 ' A' ' 96' ' ' VAL . 43.0 t -59.06 -43.4 89.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 122.849 0.46 . . . . 74.41 109.872 176.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.37 -30.66 71.7 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.248 0.619 . . . . 63.5 111.886 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 15.3 mmt180 -69.96 -51.95 28.41 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.579 0.352 . . . . 75.51 110.051 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -73.75 -25.31 60.1 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 116.138 -0.483 . . . . 72.43 111.597 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -74.9 -39.42 61.46 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.842 0.857 . . . . 72.43 110.16 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.52 -53.24 51.12 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 123.517 0.51 . . . . 70.34 109.67 175.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -54.13 -41.84 68.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.762 0.825 . . . . 74.45 111.803 177.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -60.22 -62.84 1.57 Allowed 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.167 -0.924 . . . . 74.01 109.956 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 91.4 m -62.02 -33.67 74.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.903 0.881 . . . . 72.32 112.882 -172.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.82 -51.7 31.39 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.876 0.87 . . . . 64.32 111.178 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.3 -18.9 60.65 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 116.564 -0.289 . . . . 72.41 110.515 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -76.03 -46.82 27.41 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.22 1.008 . . . . 72.32 110.783 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.2 t -67.67 -33.24 74.54 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 109.666 -0.494 . . . . 72.54 109.666 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.571 ' HG2' HD22 ' A' ' 450' ' ' LEU . 26.5 ttt -60.61 -45.12 95.2 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.929 0.768 . . . . 72.12 109.495 171.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.544 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 2.5 ttm -65.14 -47.53 76.76 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.192 0.932 . . . . 73.43 112.361 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 25.0 p -63.33 -42.1 98.93 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 123.126 0.57 . . . . 72.01 110.88 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.62 -43.68 72.21 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 115.509 -0.769 . . . . 73.35 111.104 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.571 HD22 ' HG2' ' A' ' 446' ' ' MET . 2.3 pp -71.52 -22.95 61.71 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 123.036 0.21 . . . . 75.24 110.579 -175.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -70.81 -49.81 42.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.597 0.759 . . . . 74.43 109.035 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -58.21 -47.46 83.41 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 114.911 -1.041 . . . . 73.33 110.903 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.429 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 56.2 p -65.07 -60.34 3.14 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 118.252 -0.88 . . . . 71.25 110.026 -176.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.9 p -50.94 -36.09 36.77 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 123.666 0.786 . . . . 71.4 112.542 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.1 t -57.35 -63.7 1.14 Allowed 'General case' 0 CA--C 1.553 1.071 0 O-C-N 124.004 0.815 . . . . 62.12 111.032 173.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -73.05 -20.39 60.99 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 112.744 0.646 . . . . 71.2 112.744 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.515 HD21 HG21 ' A' ' 44' ' ' ILE . 54.5 mt -73.79 -39.55 64.05 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.971 0.908 . . . . 75.31 110.178 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.0 t -75.8 -33.2 60.11 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 110.175 -0.306 . . . . 74.42 110.175 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -68.61 -37.91 80.16 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.963 -0.562 . . . . 75.0 110.315 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -71.14 -37.83 72.25 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.979 0.512 . . . . 71.15 110.827 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . 0.405 ' HB2' HG21 ' A' ' 68' ' ' ILE . 20.0 t80 -63.27 -53.87 46.17 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.105 0.562 . . . . 74.52 109.99 177.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 85.5 m -59.43 -43.61 93.06 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 124.323 1.014 . . . . 73.12 110.528 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.89 -52.1 61.5 Favored 'General case' 0 C--O 1.245 0.819 0 O-C-N 123.483 0.489 . . . . 64.45 111.284 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 48.3 ttm -61.42 -30.81 70.8 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.123 0.969 . . . . 72.04 111.179 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -88.64 -77.32 0.37 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 108.825 -0.806 . . . . 74.33 108.825 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.21 77.98 1.68 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 123.683 0.793 . . . . 74.32 111.385 175.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.487 1.416 0 O-C-N 121.781 -0.575 . . . . 64.54 110.814 171.371 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.7 p . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 112.561 0.578 . . . . 75.31 112.561 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m -61.68 -41.7 97.93 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.705 0.628 . . . . 61.35 111.449 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.445 HG23 HD12 ' A' ' 56' ' ' ILE . 58.7 m -70.44 -42.21 71.86 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.587 -0.733 . . . . 71.21 111.297 -177.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.408 ' HA ' HD13 ' A' ' 8' ' ' ILE . 9.9 p -75.58 -35.24 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 117.506 0.139 . . . . 73.34 111.251 -174.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.29 -34.0 74.05 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.906 -0.405 . . . . 72.04 109.906 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.25 -44.35 92.39 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.19 0.996 . . . . 75.13 110.434 172.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 4' ' ' THR . 95.2 mt -59.95 -57.25 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 124.66 1.184 . . . . 73.12 111.409 177.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 59.6 m-80 -59.73 -41.58 91.22 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.54 0.736 . . . . 63.5 111.484 -176.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.613 HH22 ' HD2' ' A' ' 50' ' ' LYS . 22.4 mtm180 -71.73 -31.35 66.61 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 118.956 -0.545 . . . . 73.42 111.695 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -66.75 -38.02 85.8 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.288 0.494 . . . . 74.42 111.243 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -56.85 -44.7 82.42 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.504 0.502 . . . . 70.05 110.22 170.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.2 mmt180 -58.65 -53.26 60.32 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.683 0.614 . . . . 74.34 110.076 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.6 mt -56.21 -43.55 76.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 124.617 1.167 . . . . 75.22 111.643 -174.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.53 70.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.258 0.623 . . . . 74.34 112.105 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.69 -35.3 77.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.054 -0.521 . . . . 65.04 110.506 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 78.6 mt -65.79 -55.33 17.77 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.645 0.778 . . . . 75.54 110.301 176.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.44 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.1 p -53.73 -44.26 69.75 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.311 1.007 . . . . 73.31 111.265 -176.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.59 -47.74 80.23 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 124.384 1.053 . . . . 74.13 111.407 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -65.8 -51.78 56.21 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.096 0.558 . . . . 75.25 112.172 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.56 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -69.81 -24.3 63.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.768 0.427 . . . . 72.34 111.396 -177.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.43 -47.86 83.8 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.965 0.506 . . . . 63.1 110.005 170.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.88 -45.58 89.88 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.231 -0.895 . . . . 74.12 110.148 175.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 32' ' ' LEU . 60.7 mt -63.12 -33.31 75.19 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.606 0.762 . . . . 64.44 111.947 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB3' HD11 ' A' ' 33' ' ' LEU . . . -67.26 -47.83 69.54 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.79 0.836 . . . . 64.0 110.899 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.06 -17.57 58.65 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.416 -0.356 . . . . 73.33 111.668 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -79.98 -24.69 40.74 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.348 0.659 . . . . 72.22 110.181 171.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.88 -1.63 51.94 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 119.556 -0.58 . . . . 74.41 114.303 173.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -81.14 90.51 6.05 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 117.513 0.656 . . . . 63.14 109.867 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.401 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 26.6 m95 -69.21 -34.55 75.03 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 114.563 -1.199 . . . . 70.43 109.985 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.6 -48.02 69.64 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.043 0.537 . . . . 75.11 110.92 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.525 ' HB3' HD13 ' A' ' 24' ' ' LEU . 83.6 mt -75.3 -35.86 61.22 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.342 -0.845 . . . . 74.45 111.339 -178.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 21' ' ' LEU . 50.0 tp -57.8 -49.08 77.81 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.929 0.892 . . . . 73.22 110.961 174.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.47 HD22 HD11 ' A' ' 443' ' ' LEU . 47.0 mt -79.64 -24.34 41.95 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.332 1.053 . . . . 75.53 110.829 -174.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -63.36 -39.87 95.71 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.656 0.783 . . . . 73.41 109.549 172.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -84.23 -24.56 29.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.054 -0.976 . . . . 74.42 111.221 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -50.42 -53.1 31.96 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.145 0.978 . . . . 74.04 111.782 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.88 -46.63 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 O-C-N 124.328 1.018 . . . . 74.11 111.334 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 m -67.41 -40.5 85.58 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.855 0.862 . . . . 64.42 110.926 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 29.8 t80 -67.62 -61.5 1.86 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.995 1.318 . . . . 73.43 111.539 -173.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.14 -35.42 80.72 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.086 0.866 . . . . 74.35 111.172 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -61.13 -44.03 97.97 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.309 0.244 . . . . 75.05 111.074 174.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.447 ' HA ' HG22 ' A' ' 46' ' ' THR . 72.8 m -63.97 -36.66 84.68 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.456 0.473 . . . . 72.13 111.589 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.536 HG22 HD21 ' A' ' 457' ' ' LEU . 75.1 mt -66.02 -50.34 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 121.686 0.755 . . . . 74.11 110.401 175.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.15 -26.96 67.67 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.325 -0.852 . . . . 71.23 111.81 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.447 HG22 ' HA ' ' A' ' 43' ' ' SER . 6.2 t -86.88 -28.53 22.78 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.602 0.593 . . . . 72.3 112.602 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.02 -23.99 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 118.72 0.691 . . . . 70.34 109.991 170.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.8 mmt -87.15 -23.4 24.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.489 0.715 . . . . 65.13 111.993 172.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 34.7 tt0 -68.37 -31.99 71.75 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.424 0.69 . . . . 71.02 109.273 167.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.613 ' HD2' HH22 ' A' ' 10' ' ' ARG . 0.1 OUTLIER -68.36 -15.28 63.5 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.548 -1.205 . . . . 74.25 110.815 175.501 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 72.52 2.61 4.41 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.542 1.537 . . . . 74.44 111.194 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m 62.21 109.57 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 124.474 1.109 . . . . 74.1 110.68 -169.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.515 ' O ' HG12 ' A' ' 56' ' ' ILE . 32.3 Cg_exo -59.2 128.22 26.85 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.307 2.005 . . . . 74.01 111.489 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -63.7 -14.11 40.87 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.472 2.115 . . . . 72.14 112.986 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.32 50.99 4.16 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.109 -0.496 . . . . 75.33 113.091 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 53' ' ' PRO . 47.0 mm -96.65 99.31 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 108.392 -0.966 . . . . 74.02 108.392 171.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 t -77.18 168.59 19.8 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.065 0.546 . . . . 75.35 110.441 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -29.92 69.63 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 115.281 1.586 . . . . 74.4 115.281 -158.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -74.9 -38.55 61.81 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 118.841 0.746 . . . . 70.41 110.068 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.523 ' HA ' ' HE3' ' A' ' 63' ' ' MET . 68.6 mt -62.37 -45.19 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 115.475 -0.784 . . . . 72.01 109.367 173.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.1 -42.41 85.62 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.882 1.273 . . . . 75.1 110.908 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.77 -46.97 87.3 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.795 0.838 . . . . 70.33 110.759 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.523 ' HE3' ' HA ' ' A' ' 60' ' ' ILE . 52.5 mtm -64.27 -61.82 2.0 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.801 -0.636 . . . . 71.22 110.975 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 68' ' ' ILE . 32.3 m -61.58 -40.6 87.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 118.594 -0.717 . . . . 74.53 111.862 -173.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.3 -34.39 78.01 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.173 0.442 . . . . 74.01 110.775 177.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.66 99.62 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.537 0.523 . . . . 60.45 112.355 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -70.56 -33.79 71.5 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.255 0.622 . . . . 65.0 111.601 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 64' ' ' VAL . 45.8 mt -69.05 -43.38 81.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 N-CA-C 108.572 -0.899 . . . . 72.35 108.572 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -59.3 -41.96 90.2 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.456 0.703 . . . . 74.32 110.608 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -62.06 -54.17 45.12 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 123.659 0.599 . . . . 70.35 110.588 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.416 HG21 ' HA ' ' A' ' 68' ' ' ILE . 5.6 t -64.77 -36.72 85.23 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 123.784 0.678 . . . . 71.13 110.824 -173.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.98 -45.54 93.18 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.66 0.784 . . . . 72.21 110.884 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.2 -52.58 63.23 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 124.193 0.933 . . . . 74.24 110.89 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -67.05 -38.37 85.71 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.141 -0.936 . . . . 65.44 111.606 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.7 tt0 -76.3 -25.21 54.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.38 1.072 . . . . 75.33 111.257 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -68.37 -41.4 80.68 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.317 0.647 . . . . 75.11 109.788 169.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.63 -33.85 75.8 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.499 -0.773 . . . . 75.05 110.71 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.1 mt -64.03 -45.18 90.04 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.007 0.523 . . . . 73.22 110.285 173.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -50.6 -54.37 23.29 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.328 1.051 . . . . 74.03 110.944 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.89 -45.93 61.97 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 116.137 -0.483 . . . . 51.1 113.939 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tt -60.19 -56.31 23.12 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.198 0.999 . . . . 73.15 110.159 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.32 -32.07 73.52 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 124.142 0.902 . . . . 74.52 110.984 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.07 -46.84 82.17 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 118.209 0.459 . . . . 74.41 111.369 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.23 -45.76 93.2 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.236 -0.893 . . . . 74.44 110.486 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 8.2 mmp_? -58.78 -51.34 70.41 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.015 0.822 . . . . 75.15 111.07 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 443' ' ' LEU . 96.0 mt -65.13 -30.29 71.21 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.389 1.076 . . . . 74.32 112.241 -175.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.28 -45.21 77.29 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.683 0.614 . . . . 72.43 109.556 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.07 -44.4 84.58 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.162 -0.926 . . . . 73.12 111.237 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 97.2 mt -61.43 -50.68 71.85 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.735 0.814 . . . . 75.52 110.192 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.9 t -63.04 -34.9 78.57 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.94 0.775 . . . . 72.23 111.233 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 23.0 t -61.63 -45.45 94.03 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.062 0.545 . . . . 74.14 109.771 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.21 -41.06 81.9 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.679 0.791 . . . . 75.4 111.53 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 89' ' ' LEU . 82.1 mt -61.5 -41.62 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.93 0.892 . . . . 72.43 110.038 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.03 -24.49 71.73 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.606 -0.725 . . . . 64.31 113.183 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 91' ' ' SER . 13.4 mm100 -84.56 -51.23 7.03 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.245 0.618 . . . . 73.42 111.163 178.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.88 -47.18 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 122.493 0.317 . . . . 75.35 111.612 -174.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.522 ' HA ' HD13 ' A' ' 429' ' ' ILE . 4.4 tt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 108.574 -0.898 . . . . 74.22 108.574 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.769 0 CA-C-O 120.335 0.112 . . . . 72.31 110.731 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.49 -41.53 90.07 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.827 0.851 . . . . 72.12 111.689 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 39.1 mt-10 -67.91 -48.59 65.55 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.505 0.722 . . . . 74.32 110.723 -177.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 14.8 t -66.26 -35.74 81.18 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.259 0.35 . . . . 74.01 111.138 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 38.9 t -57.7 -54.25 33.95 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 N-CA-C 108.946 -0.761 . . . . 72.24 108.946 171.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -53.16 -35.44 59.79 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.308 1.005 . . . . 74.45 111.947 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 26.4 mmt180 -66.88 -63.47 1.06 Allowed 'General case' 0 C--N 1.356 0.859 0 C-N-CA 122.73 0.412 . . . . 75.41 110.494 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -68.69 -25.13 64.63 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.439 0.533 . . . . 72.25 112.439 -174.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -81.36 -39.47 25.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.101 0.96 . . . . 71.42 110.365 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.76 74.18 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 109.08 -0.711 . . . . 74.2 109.08 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 26.3 mm-40 -59.23 -36.87 76.2 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.165 0.586 . . . . 73.05 111.127 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -63.75 -63.14 1.25 Allowed 'General case' 0 C--N 1.35 0.588 0 CA-C-N 116.199 -0.455 . . . . 74.11 109.943 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 38.3 m -60.36 -35.72 76.34 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.964 0.906 . . . . 74.21 112.671 -173.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -70.85 -50.85 30.87 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.405 0.682 . . . . 71.32 111.513 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.47 HD11 HD22 ' A' ' 34' ' ' LEU . 9.5 mp -70.22 -21.27 63.03 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.63 0.372 . . . . 73.54 110.998 176.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.39 -43.62 18.72 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.962 0.905 . . . . 71.43 110.811 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.5 t -71.94 -31.14 66.03 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.476 -0.565 . . . . 71.13 109.476 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.601 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.8 ttt -61.77 -45.31 94.46 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.834 0.709 . . . . 62.01 109.102 170.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.578 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 38.1 ttm -61.47 -50.49 72.52 Favored 'General case' 0 C--N 1.36 1.034 0 O-C-N 124.207 0.942 . . . . 75.31 112.751 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 36.2 p -62.08 -42.21 98.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.022 0.529 . . . . 75.1 110.765 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -70.35 -40.54 74.01 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.416 -0.811 . . . . 71.55 111.049 176.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.601 HD22 ' HG2' ' A' ' 446' ' ' MET . 2.3 pp -74.64 -23.22 58.65 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 118.264 0.484 . . . . 71.41 110.868 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -75.75 -41.77 52.29 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.87 0.868 . . . . 73.33 109.034 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -63.62 -44.18 94.66 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 114.937 -1.029 . . . . 71.0 110.363 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.435 ' HB ' HG21 ' A' ' 44' ' ' ILE . 41.3 p -67.15 -57.94 5.81 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 118.23 -0.891 . . . . 75.0 109.626 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.8 p -53.24 -31.26 42.52 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.528 0.731 . . . . 73.34 112.331 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.7 t -59.7 -66.14 0.56 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.079 0.552 . . . . 74.11 111.047 172.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.37 -20.72 62.12 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.383 0.512 . . . . 75.45 112.383 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.536 HD21 HG22 ' A' ' 44' ' ' ILE . 56.8 mt -72.08 -43.62 64.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.367 0.667 . . . . 74.44 110.54 177.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.4 t -73.11 -33.18 65.4 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 117.641 0.201 . . . . 75.03 111.021 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -66.06 -49.04 69.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.264 0.626 . . . . 73.34 110.434 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -71.16 -28.27 64.14 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.434 -0.803 . . . . 74.43 109.819 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . 0.507 ' HB2' HG23 ' A' ' 68' ' ' ILE . 55.8 t80 -63.61 -43.05 98.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.479 0.712 . . . . 74.24 109.86 173.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 29.6 m -61.48 -37.41 83.53 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.663 0.602 . . . . 74.25 110.79 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -68.95 -53.93 18.1 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.026 0.38 . . . . 74.44 112.026 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' MET . . . . . 0.456 ' SD ' HG21 ' A' ' 64' ' ' VAL . 56.0 ttm -65.39 -34.55 78.58 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.638 0.775 . . . . 73.25 111.335 -172.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -80.91 -59.47 2.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.628 0.771 . . . . 74.31 109.283 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 77.56 1.59 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.001 0.52 . . . . 73.41 111.855 176.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.485 1.32 0 C-N-CA 123.686 0.794 . . . . 73.14 112.486 166.863 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 112.257 0.466 . . . . 71.2 112.257 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -60.03 -33.61 72.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.055 0.942 . . . . 62.32 112.296 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.8 m -74.78 -41.61 59.71 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.574 0.749 . . . . 73.44 111.881 -176.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -74.46 -38.44 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 122.326 0.251 . . . . 65.14 110.677 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.6 -37.2 84.38 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 110.083 -0.34 . . . . 74.2 110.083 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -53.98 -52.62 60.14 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.141 0.977 . . . . 73.14 110.976 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.45 HG12 HG21 ' A' ' 60' ' ' ILE . 87.6 mt -55.81 -58.96 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 123.928 0.891 . . . . 73.31 111.585 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.58 -42.24 99.44 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 114.665 -1.152 . . . . 72.04 112.28 -170.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.492 ' O ' HG13 ' A' ' 14' ' ' ILE . 67.0 mtm180 -77.04 -32.24 56.8 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 118.621 -0.704 . . . . 74.31 110.836 -176.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.433 ' HH2' HD23 ' A' ' 457' ' ' LEU . 21.8 m95 -64.86 -39.89 94.26 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.465 0.575 . . . . 74.41 110.591 173.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -53.58 -48.67 68.98 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.941 0.775 . . . . 74.13 109.342 171.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -63.66 -40.65 97.36 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.911 -0.586 . . . . 74.42 112.172 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.4 mt -61.36 -41.08 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.154 0.582 . . . . 72.43 110.344 -176.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -71.83 -41.88 67.64 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.139 0.575 . . . . 64.43 112.084 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.79 -42.13 95.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.046 0.538 . . . . 64.4 110.812 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.7 mt -69.42 -47.9 62.67 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.87 0.868 . . . . 75.21 109.964 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.427 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 75.5 p -55.99 -42.86 77.0 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.838 0.711 . . . . 74.43 111.167 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -58.65 -53.57 56.87 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.256 -0.883 . . . . 73.41 111.114 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 68.3 m -60.25 -51.17 70.69 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.336 0.655 . . . . 75.22 112.173 -174.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.638 ' HB2' HD12 ' A' ' 33' ' ' LEU . 3.9 pp -71.87 -26.5 62.37 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 122.664 0.386 . . . . 72.51 111.782 -176.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.87 -43.35 99.04 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.279 0.362 . . . . 75.34 110.103 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.75 -45.07 90.54 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 115.383 -0.826 . . . . 70.1 109.812 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 32' ' ' LEU . 63.8 mt -66.92 -29.8 69.77 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.67 0.788 . . . . 73.13 112.006 -178.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' HD11 ' A' ' 33' ' ' LEU . . . -73.67 -43.76 58.52 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.583 0.753 . . . . 71.14 111.039 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -79.99 -14.92 58.2 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.029 -0.532 . . . . 75.15 111.031 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -78.4 -25.27 46.09 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.503 0.721 . . . . 75.32 109.694 167.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.42 -5.8 62.88 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.834 -0.621 . . . . 55.42 113.384 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.95 88.05 2.92 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 109.54 -0.541 . . . . 74.14 109.54 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.458 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 22.3 m95 -64.68 -37.8 88.82 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 115.07 -0.968 . . . . 71.23 109.931 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -55.25 -44.35 75.47 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.377 1.071 . . . . 64.35 111.868 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 24' ' ' LEU . 84.1 mt -72.19 -39.56 68.53 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.782 -0.645 . . . . 74.21 110.74 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.638 HD12 ' HB2' ' A' ' 21' ' ' LEU . 38.0 tp -56.75 -46.01 81.66 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.319 1.048 . . . . 75.53 111.478 174.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.501 HD22 HD11 ' A' ' 443' ' ' LEU . 55.6 mt -77.19 -24.22 51.4 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.511 1.124 . . . . 73.44 110.901 -175.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.91 -37.82 82.16 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.896 -0.593 . . . . 74.1 110.085 172.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -82.86 -21.58 34.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.204 0.602 . . . . 74.43 111.379 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HG3' ' HG3' ' A' ' 446' ' ' MET . 30.3 tt0 -50.89 -52.89 37.46 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.371 1.068 . . . . 75.23 111.402 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.7 m -60.86 -45.42 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 114.791 -1.095 . . . . 75.44 111.601 -172.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 p -69.69 -41.1 75.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.306 0.642 . . . . 72.43 110.986 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 32.8 t80 -62.17 -63.66 1.17 Allowed 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.953 1.301 . . . . 75.35 111.737 -177.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.75 -40.61 93.08 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.628 -0.714 . . . . 75.44 110.721 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -53.17 -48.3 68.12 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.263 0.625 . . . . 75.24 111.113 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.436 ' HA ' HG22 ' A' ' 46' ' ' THR . 71.1 m -62.15 -36.82 83.0 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 124.048 0.842 . . . . 74.13 111.534 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.36 -51.26 73.17 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 123.276 0.36 . . . . 75.33 110.808 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.98 -31.59 72.91 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 112.605 0.595 . . . . 74.03 112.605 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.436 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.5 t -84.23 -23.78 30.31 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 118.413 0.551 . . . . 61.21 112.166 -174.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -77.59 -33.3 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 118.54 0.609 . . . . 71.24 109.916 168.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.581 ' HE3' ' HG2' ' A' ' 460' ' ' GLN . 23.6 mmt -91.35 0.07 57.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.655 0.782 . . . . 72.11 112.781 -178.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.65 -30.53 67.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.449 0.642 . . . . 60.42 109.444 167.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -104.76 -4.93 21.74 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.907 0.883 . . . . 74.04 110.954 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 54.81 36.02 25.52 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.099 1.36 . . . . 73.23 112.719 171.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m 69.93 112.6 0.03 OUTLIER Pre-proline 0 CA--C 1.559 1.322 0 C-N-CA 124.395 1.078 . . . . 71.13 110.818 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.495 ' O ' HG12 ' A' ' 56' ' ' ILE . 33.6 Cg_endo -63.34 144.78 91.97 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.353 2.036 . . . . 75.43 111.681 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.31 2.99 3.31 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 123.04 2.493 . . . . 72.52 114.945 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -104.83 28.14 16.02 Favored Glycine 0 C--N 1.345 1.05 0 CA-C-N 117.629 0.195 . . . . 55.41 113.365 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 53' ' ' PRO . 37.2 mm -81.59 106.5 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 123.044 0.538 . . . . 75.55 109.662 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 t -75.78 166.9 22.85 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.174 0.59 . . . . 74.31 110.167 177.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -67.82 -23.42 65.18 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 113.28 0.844 . . . . 74.21 113.28 -165.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.3 t -70.38 -48.57 55.6 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.496 0.318 . . . . 63.21 110.418 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.601 ' HA ' ' HE1' ' A' ' 63' ' ' MET . 81.6 mt -64.23 -40.81 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.644 0.777 . . . . 72.23 110.009 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.32 -39.95 92.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.942 1.297 . . . . 75.22 111.114 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.23 -41.83 76.49 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.162 0.585 . . . . 73.12 110.922 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.601 ' HE1' ' HA ' ' A' ' 60' ' ' ILE . 58.6 mtm -60.14 -55.2 36.77 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.576 0.547 . . . . 72.2 110.087 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.9 m -71.42 -28.36 31.65 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 CA-C-N 115.483 -0.781 . . . . 74.45 111.549 -174.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.94 91.9 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 118.201 0.455 . . . . 72.43 110.091 172.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -58.9 -47.34 91.08 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-N 115.649 -0.705 . . . . 54.34 111.934 171.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -66.54 -36.33 82.42 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.239 0.616 . . . . 74.02 112.35 -177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 64' ' ' VAL . 68.7 mt -70.97 -42.01 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.161 -0.681 . . . . 75.14 109.161 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -42.58 97.99 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.249 0.62 . . . . 73.21 110.464 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.433 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 28.2 mt-30 -61.59 -50.43 72.62 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.028 -0.533 . . . . 75.35 110.75 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.414 HG23 ' HA ' ' A' ' 68' ' ' ILE . 4.7 t -68.54 -34.21 75.45 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 123.796 0.685 . . . . 75.03 110.672 -173.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.8 -42.46 95.01 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.292 0.637 . . . . 74.11 110.969 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.71 -48.77 70.87 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.43 0.692 . . . . 75.03 110.588 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.424 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 15.9 m120 -66.76 -40.61 88.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.276 0.631 . . . . 74.44 111.006 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.475 ' HA ' HD13 ' A' ' 78' ' ' LEU . 36.0 tt0 -74.47 -25.3 59.31 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.452 1.101 . . . . 72.14 111.159 -177.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.26 -42.51 75.5 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.47 0.708 . . . . 65.32 109.567 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.64 -33.23 75.4 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.473 -0.785 . . . . 72.53 111.529 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 75' ' ' GLU . 89.0 mt -66.57 -45.39 79.44 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.793 -0.447 . . . . 74.14 109.793 174.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.54 -50.76 67.14 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.629 0.772 . . . . 71.14 110.588 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.64 -52.3 35.39 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 116.451 -0.341 . . . . 73.0 113.645 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 6.6 tt -60.67 -57.71 11.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.124 0.969 . . . . 70.44 110.247 -175.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.35 -30.3 71.46 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-O 118.648 -0.692 . . . . 71.51 111.164 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.456 ' N ' ' HE1' ' A' ' 447' ' ' MET . 9.8 tt0 -61.77 -42.33 98.85 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 118.685 0.675 . . . . 74.13 111.398 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -60.71 -45.91 92.43 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.783 -0.644 . . . . 74.05 110.265 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 1.2 mmp_? -62.68 -46.27 88.92 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.654 -0.703 . . . . 74.4 111.214 -178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.04 -38.85 92.58 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.044 0.938 . . . . 75.52 111.128 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.06 -45.52 93.2 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.73 0.812 . . . . 75.05 110.344 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 41.1 mt-10 -65.14 -48.29 74.06 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.154 -0.93 . . . . 74.31 110.708 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.21 -36.17 77.08 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.144 0.577 . . . . 74.1 110.619 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -69.12 -34.06 74.44 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.031 0.933 . . . . 74.15 110.759 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.7 t -68.81 -37.28 79.11 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.202 0.601 . . . . 74.54 110.227 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 72.6 mt -66.29 -55.54 15.58 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.048 -0.524 . . . . 75.02 109.91 177.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.94 -42.4 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.994 1.318 . . . . 74.22 111.334 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.77 -34.12 69.93 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 116.211 -0.449 . . . . 34.41 113.552 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -86.85 -44.14 11.93 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 122.954 0.502 . . . . 61.24 111.324 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.574 HG21 HG21 ' A' ' 433' ' ' VAL . 21.6 m -90.16 -30.27 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 113.189 0.811 . . . . 74.34 113.189 -167.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 108.02 -1.104 . . . . 73.3 108.02 174.741 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 119.684 -0.198 . . . . 75.51 110.886 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.21 -50.32 73.24 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.316 0.646 . . . . 73.12 110.971 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 29.5 mt-10 -65.82 -54.19 30.06 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.463 1.102 . . . . 75.51 111.316 -173.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.1 t -62.84 -39.39 94.22 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 111.759 0.281 . . . . 63.01 111.759 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' VAL . . . . . 0.574 HG21 HG21 ' A' ' 96' ' ' VAL . 51.0 t -64.77 -45.88 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.777 0.431 . . . . 64.22 110.138 174.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.03 -30.33 71.42 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.641 0.776 . . . . 73.13 111.786 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 79.2 mmt-85 -69.38 -55.81 9.3 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.347 0.404 . . . . 74.45 109.969 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -66.44 -30.2 70.51 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.227 0.329 . . . . 74.34 111.679 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -74.0 -43.2 58.85 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.28 0.632 . . . . 74.32 110.444 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.61 72.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.644 0.378 . . . . 74.12 110.641 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -60.75 -40.17 91.47 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.421 0.45 . . . . 71.52 111.049 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -57.71 -59.23 5.53 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 109.463 -0.569 . . . . 70.01 109.463 174.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 86.1 m -59.72 -33.28 71.43 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.168 0.987 . . . . 64.44 112.782 -173.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -75.25 -48.53 22.92 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.678 0.791 . . . . 74.35 111.443 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' LEU . . . . . 0.501 HD11 HD22 ' A' ' 34' ' ' LEU . 9.3 mp -69.35 -21.89 63.79 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.641 0.376 . . . . 74.01 110.478 175.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.21 -42.8 20.22 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.588 1.155 . . . . 74.21 111.419 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.0 t -71.06 -35.87 72.08 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.276 -0.639 . . . . 73.21 109.276 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' MET . . . . . 0.657 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.7 ttt -58.91 -46.24 88.38 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.849 0.718 . . . . 74.14 109.49 171.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' MET . . . . . 0.493 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 19.6 ttm -61.35 -54.09 48.25 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.282 0.989 . . . . 72.44 112.662 -177.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 30.7 p -58.49 -40.17 82.02 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.932 0.493 . . . . 64.31 111.163 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' LYS . . . . . 0.618 ' HZ3' ' HB3' ' A' ' 449' ' ' LYS . 8.9 mtpm? -69.36 -45.92 68.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.456 -0.793 . . . . 73.42 111.454 177.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' LEU . . . . . 0.657 HD22 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -72.34 -19.75 61.59 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.057 0.223 . . . . 73.53 111.039 -176.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -75.67 -47.98 24.0 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.879 0.872 . . . . 74.53 109.415 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -44.05 97.96 Favored 'General case' 0 C--O 1.25 1.13 0 CA-C-N 114.67 -1.15 . . . . 74.43 109.465 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' THR . . . . . 0.572 HG23 ' HH ' ' A' ' 456' ' ' TYR . 54.6 p -64.36 -60.47 3.14 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 118.434 -0.794 . . . . 74.42 110.352 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.1 p -52.13 -30.48 26.67 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.459 0.704 . . . . 73.44 112.277 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' SER . . . . . 0.404 ' O ' HG21 ' A' ' 458' ' ' THR . 34.9 t -60.45 -65.29 0.71 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 122.968 0.507 . . . . 75.51 110.423 172.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' TYR . . . . . 0.572 ' HH ' HG23 ' A' ' 453' ' ' THR . 6.4 p90 -71.28 -20.63 62.19 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 112.502 0.556 . . . . 71.13 112.502 -176.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' LEU . . . . . 0.433 HD23 ' HH2' ' A' ' 11' ' ' TRP . 64.9 mt -75.54 -38.25 59.44 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.711 0.804 . . . . 73.02 110.393 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' THR . . . . . 0.404 HG21 ' O ' ' A' ' 455' ' ' SER . 2.5 t -73.91 -35.12 64.61 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 110.164 -0.31 . . . . 73.43 110.164 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -65.33 -43.88 89.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.322 0.582 . . . . 72.41 110.097 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' GLN . . . . . 0.581 ' HG2' ' HE3' ' A' ' 48' ' ' MET . 22.5 tp60 -57.64 -43.96 85.25 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.708 -1.133 . . . . 72.35 110.673 175.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -63.93 -38.18 90.13 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.388 -0.824 . . . . 74.32 110.807 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 4.3 m -63.0 -47.03 84.88 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 123.314 0.384 . . . . 75.21 110.891 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.06 -52.08 21.56 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.401 0.438 . . . . 73.11 111.799 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' MET . . . . . 0.401 ' SD ' HG23 ' A' ' 64' ' ' VAL . 53.8 ttm -62.14 -35.66 79.43 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.345 0.658 . . . . 74.22 111.617 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -79.47 -59.78 2.62 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.051 -0.722 . . . . 72.5 109.051 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.76 80.79 1.99 Allowed 'General case' 0 CA--C 1.565 1.554 0 N-CA-C 113.429 0.9 . . . . 75.32 113.429 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.49 1.565 0 O-C-N 120.839 -1.163 . . . . 75.41 109.354 161.942 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 CA--C 1.551 1.004 0 CA-C-O 121.725 0.774 . . . . 75.51 110.848 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.9 p -68.19 -50.02 57.01 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.406 -0.815 . . . . 72.31 111.423 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -57.49 -41.89 81.63 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.602 0.761 . . . . 64.01 111.159 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.456 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 24.8 m -69.36 -43.53 73.4 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.898 -1.046 . . . . 75.54 112.193 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -70.21 -42.61 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 118.024 0.375 . . . . 55.5 111.593 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.85 -33.95 76.74 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.775 0.43 . . . . 75.12 110.463 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' HB3' ' O ' ' A' ' 4' ' ' THR . 58.2 t80 -53.56 -52.1 60.82 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.135 0.974 . . . . 74.52 110.611 169.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 4' ' ' THR . 86.1 mt -57.47 -57.01 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.911 0.884 . . . . 75.04 111.598 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.411 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 65.0 m-80 -59.02 -41.94 88.98 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.355 0.662 . . . . 75.21 112.686 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.429 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.8 mtm180 -74.07 -39.37 63.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 118.886 -0.578 . . . . 71.14 111.833 -175.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.415 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 77.4 m95 -65.22 -34.55 78.63 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.415 0.552 . . . . 74.42 111.155 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -57.94 -46.61 84.78 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 123.909 0.756 . . . . 75.31 109.61 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 83.7 mmt-85 -58.59 -51.12 71.26 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 123.771 0.669 . . . . 71.32 110.558 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.4 mt -54.26 -45.46 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.325 1.05 . . . . 75.21 112.013 -174.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.58 -41.79 65.3 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 112.625 0.602 . . . . 61.44 112.625 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.88 -39.99 91.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.836 0.454 . . . . 74.31 111.123 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.464 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.7 mt -67.41 -53.71 26.81 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 123.927 0.891 . . . . 72.43 109.661 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.44 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 47.0 p -54.7 -45.35 73.96 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.173 0.921 . . . . 73.13 111.809 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -58.19 -51.67 68.76 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.149 0.906 . . . . 70.3 111.722 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.428 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 67.2 m -73.38 -38.79 65.54 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.993 0.738 . . . . 71.23 112.993 -173.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.498 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.3 pp -74.67 -19.92 60.08 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.1 0.409 . . . . 72.23 110.71 177.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -69.01 -41.75 77.36 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 110.035 -0.357 . . . . 71.32 110.035 169.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.87 -39.73 74.86 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.846 0.716 . . . . 64.42 109.725 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 21' ' ' LEU . 66.7 mt -72.65 -37.53 67.93 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.098 -0.955 . . . . 73.13 111.839 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.95 85.75 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.432 0.693 . . . . 73.24 111.174 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -73.3 -28.7 62.24 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.196 -0.457 . . . . 75.43 110.873 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.573 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 4.1 mmm180 -73.15 -19.52 61.11 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.48 0.712 . . . . 71.42 111.723 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.89 7.88 85.02 Favored Glycine 0 C--N 1.347 1.142 0 O-C-N 123.452 0.47 . . . . 42.32 112.789 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.573 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 55.5 mm-40 -71.07 85.88 0.73 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.442 0.697 . . . . 74.51 109.897 176.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.412 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 17.7 m95 -75.44 -39.47 58.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.623 0.369 . . . . 75.22 110.714 -176.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.64 -51.31 67.65 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.947 0.899 . . . . 74.53 109.974 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.423 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 88.7 mt -69.64 -39.72 76.95 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.109 -1.405 . . . . 72.4 111.124 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.498 HD11 ' HB2' ' A' ' 21' ' ' LEU . 63.8 tp -55.88 -45.56 78.55 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.952 0.901 . . . . 72.42 111.31 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.527 HD22 HD12 ' A' ' 443' ' ' LEU . 84.1 mt -77.82 -25.84 49.13 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.275 -0.875 . . . . 64.1 111.719 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -66.33 -37.57 85.67 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 121.08 0.467 . . . . 75.42 110.043 172.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.423 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 79.5 mm-40 -80.27 -28.54 38.35 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.475 -0.784 . . . . 74.45 111.346 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -50.48 -57.15 8.73 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.877 1.271 . . . . 75.31 111.707 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.62 -47.41 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 124.136 0.898 . . . . 62.12 111.86 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 p -68.71 -37.85 79.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.138 0.575 . . . . 72.04 111.367 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 27.5 t80 -68.31 -59.06 3.47 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.114 0.965 . . . . 73.45 111.455 -175.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.42 -41.29 93.66 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 124.15 0.906 . . . . 74.2 110.26 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.79 -34.45 77.93 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.589 0.556 . . . . 63.22 112.028 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.5 m -65.69 -42.39 91.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.665 0.386 . . . . 75.33 110.891 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.55 HG22 HD23 ' A' ' 457' ' ' LEU . 59.0 mt -64.58 -43.98 96.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-O 121.736 0.779 . . . . 73.02 110.431 176.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.87 -48.38 82.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.867 -1.06 . . . . 75.34 110.439 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 t -71.95 -27.93 63.12 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 118.932 -0.556 . . . . 70.03 112.007 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -75.54 -31.27 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 CA-C-N 118.769 0.713 . . . . 72.43 111.386 175.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.468 ' HE1' ' HG2' ' A' ' 460' ' ' GLN . 24.5 mmt -88.08 -22.47 24.14 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.834 0.679 . . . . 72.11 112.834 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -83.72 -28.68 28.08 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.944 0.498 . . . . 74.3 110.266 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' HG3' HH22 ' A' ' 10' ' ' ARG . 7.9 tmtm? -72.75 -38.85 67.24 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.293 -1.003 . . . . 73.51 108.293 169.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 72.97 133.21 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 126.188 1.795 . . . . 74.54 111.292 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.404 HG23 ' CE1' ' A' ' 7' ' ' PHE . 98.8 m -52.54 112.84 3.76 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.743 1.217 . . . . 75.33 111.365 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.441 ' HG2' HD13 ' A' ' 56' ' ' ILE . 30.8 Cg_endo -63.86 146.64 91.91 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.483 2.122 . . . . 73.11 111.98 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -65.39 -17.47 57.9 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.622 2.214 . . . . 72.21 113.547 176.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.58 62.83 3.36 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 116.6 -0.273 . . . . 75.15 113.178 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.441 HD13 ' HG2' ' A' ' 53' ' ' PRO . 46.0 mm -117.29 114.88 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.928 0.891 . . . . 64.42 108.782 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -75.74 175.49 8.63 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.368 0.267 . . . . 63.52 110.444 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -32.48 73.8 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.229 0.612 . . . . 74.55 111.224 -173.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 63' ' ' MET . 16.5 m -70.68 -47.01 62.08 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.106 0.562 . . . . 72.4 110.506 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.643 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 93.1 mt -69.03 -36.52 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-N 115.289 -0.869 . . . . 73.34 110.645 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.47 -41.1 93.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.535 0.734 . . . . 64.33 110.206 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.36 -39.71 92.65 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.439 0.696 . . . . 72.1 110.804 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.643 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 45.5 mtm -60.74 -56.35 22.24 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.064 0.545 . . . . 74.4 110.297 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 68' ' ' ILE . 25.6 m -73.15 -23.47 20.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.636 0 CA-C-N 115.397 -0.819 . . . . 70.34 112.201 -175.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.23 99.35 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.397 -0.594 . . . . 64.24 109.397 171.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.63 -43.11 99.72 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-N 115.221 -0.899 . . . . 55.2 112.264 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.0 -42.93 97.02 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.619 0.6 . . . . 74.41 112.619 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 64' ' ' VAL . 64.2 mt -68.8 -41.69 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.363 -0.606 . . . . 72.31 109.363 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -45.54 89.31 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.475 0.71 . . . . 75.34 110.894 178.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.44 -52.93 63.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.113 0.565 . . . . 75.3 110.094 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.6 -27.37 66.85 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 115.226 -0.897 . . . . 62.05 111.429 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.74 -44.87 69.36 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.281 0.632 . . . . 74.34 111.05 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.1 -55.03 37.3 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.183 0.927 . . . . 74.34 110.224 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -61.27 -42.26 98.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.124 -0.944 . . . . 61.3 111.846 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.479 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.7 tt0 -75.9 -24.69 55.64 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.776 0.831 . . . . 74.24 111.898 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -72.89 -36.56 67.34 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.15 0.5 . . . . 74.32 110.086 171.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.75 -32.48 71.04 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.651 -0.704 . . . . 74.24 110.156 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.4 mt -64.7 -44.26 90.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.105 0.562 . . . . 73.14 110.174 171.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -54.49 -56.75 15.56 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 124.204 0.94 . . . . 74.31 110.478 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.88 -46.6 93.26 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 123.518 0.511 . . . . 74.31 113.983 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.08 -52.56 63.41 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.938 0.895 . . . . 70.41 110.548 -176.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.41 HD23 HD22 ' A' ' 443' ' ' LEU . 81.9 mt -70.07 -25.32 63.48 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.785 -0.643 . . . . 64.44 111.3 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.75 -41.77 99.36 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 118.452 0.569 . . . . 64.34 110.264 172.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -59.48 -50.43 73.97 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.925 0.765 . . . . 75.03 110.003 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -60.83 -51.46 69.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.633 0.773 . . . . 75.25 111.905 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.21 -34.36 77.48 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.943 0.897 . . . . 54.23 111.955 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.23 -44.8 82.75 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.775 0.672 . . . . 74.14 110.488 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 48.2 mt-10 -63.17 -51.12 67.69 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.616 -0.72 . . . . 64.33 110.375 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.9 mt -58.98 -41.9 88.69 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.722 0.809 . . . . 74.04 111.742 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.6 t -65.0 -37.61 88.22 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.0 0.92 . . . . 73.1 111.541 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.0 t -70.2 -30.39 67.49 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.844 -0.617 . . . . 72.04 110.53 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 92.2 mt -72.89 -41.78 64.3 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.274 0.629 . . . . 71.35 110.602 175.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.42 -36.78 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.238 1.015 . . . . 75.42 110.535 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.37 -13.98 52.15 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.681 -0.69 . . . . 60.3 113.953 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -106.2 -52.5 2.79 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.004 0.922 . . . . 73.53 110.733 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.477 HG21 HG23 ' A' ' 433' ' ' VAL . 31.8 m -74.99 -36.89 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 116.053 -0.521 . . . . 73.11 111.782 -170.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.0 tt -82.34 110.84 17.86 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.101 -1.074 . . . . 71.23 108.101 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.566 ' HB2' ' HG2' ' A' ' 107' ' ' PRO . 60.6 m-85 -86.71 97.68 10.72 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.571 -0.9 . . . . 74.51 108.571 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.26 13.31 11.78 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.199 -0.91 . . . . 74.35 110.922 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 145.12 -78.53 0.25 Allowed Glycine 0 C--N 1.343 0.93 0 N-CA-C 110.501 -1.04 . . . . 44.23 110.501 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -58.29 167.58 4.6 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 123.291 2.661 . . . . 72.03 113.387 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.6 m 67.47 10.99 8.15 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.91 1.284 . . . . 74.41 111.809 -174.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.93 140.25 29.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.914 0.885 . . . . 63.34 110.308 -172.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.98 -41.75 86.89 Favored Glycine 0 C--N 1.353 1.473 0 O-C-N 123.445 0.466 . . . . 63.43 112.431 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 pp -109.2 164.93 12.0 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.78 0.832 . . . . 74.3 109.022 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.8 t -88.06 110.38 35.16 Favored Pre-proline 0 CA--C 1.546 0.817 0 N-CA-C 108.568 -0.901 . . . . 73.32 108.568 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.566 ' HG2' ' HB2' ' A' ' 98' ' ' PHE . 15.9 Cg_exo -70.24 82.73 0.83 Allowed 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.881 2.388 . . . . 74.45 110.999 174.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -82.56 -15.63 51.55 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.251 -0.886 . . . . 75.43 111.519 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.41 68.76 2.07 Favored Glycine 0 C--N 1.349 1.29 0 N-CA-C 112.222 -0.351 . . . . 62.03 112.222 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.9 m -68.47 122.88 19.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.519 0.728 . . . . 72.01 109.891 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.42 18.07 63.05 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.612 0.57 . . . . 71.13 112.606 -173.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -174.31 41.12 0.13 Allowed Glycine 0 C--N 1.349 1.267 0 CA-C-O 119.928 -0.374 . . . . 73.0 112.254 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.443 HG22 HD12 ' A' ' 429' ' ' ILE . 4.6 mp -72.62 134.83 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 N-CA-C 109.07 -0.715 . . . . 63.43 109.07 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -67.65 116.62 8.57 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.17 0.588 . . . . 75.11 110.48 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.09 171.11 14.19 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 111.61 -0.596 . . . . 72.11 111.61 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 21.4 t -68.69 -16.15 63.74 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.063 0.945 . . . . 75.4 111.704 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.443 HD12 HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -48.48 -44.72 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.702 1.201 . . . . 73.25 111.113 171.657 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.26 -35.55 75.77 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.496 0.718 . . . . 73.44 111.626 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.65 -50.36 31.29 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.64 0.776 . . . . 71.45 110.601 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.4 t -67.42 -36.15 80.68 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.134 0.271 . . . . 65.34 111.396 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . 0.477 HG23 HG21 ' A' ' 96' ' ' VAL . 65.9 t -64.8 -47.36 88.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 123.342 0.657 . . . . 75.11 110.201 174.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.49 76.65 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.363 0.665 . . . . 72.43 111.715 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.403 ' O ' ' HG2' ' A' ' 439' ' ' GLN . 30.1 mmt180 -67.58 -56.72 8.35 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.445 0.466 . . . . 74.34 110.887 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -64.5 -35.77 82.02 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 123.443 0.464 . . . . 75.33 112.175 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -71.53 -39.44 70.72 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.411 0.684 . . . . 75.32 110.764 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.89 47.28 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.302 0.376 . . . . 55.44 110.643 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.403 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 28.1 mm-40 -60.0 -40.33 88.87 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.602 0.564 . . . . 72.32 110.641 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.83 -61.48 2.58 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 115.741 -0.663 . . . . 74.44 110.397 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.2 m -57.16 -37.35 71.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.963 0.905 . . . . 75.23 112.511 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -67.94 -50.72 54.29 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.339 0.655 . . . . 53.23 111.307 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.527 HD12 HD22 ' A' ' 34' ' ' LEU . 9.2 mp -72.61 -19.54 61.45 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 122.754 0.422 . . . . 75.2 111.205 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.3 -47.41 14.59 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.525 1.13 . . . . 73.12 111.298 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -66.8 -33.22 75.13 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.669 -0.493 . . . . 72.3 109.669 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.619 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -59.56 -46.69 88.17 Favored 'General case' 0 C--N 1.362 1.117 0 O-C-N 123.948 0.78 . . . . 72.52 109.913 171.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.599 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 30.8 ttm -64.35 -52.0 60.56 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.093 0.871 . . . . 75.33 112.611 -176.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 29.5 p -57.3 -42.87 82.61 Favored 'General case' 0 C--O 1.243 0.748 0 O-C-N 123.674 0.609 . . . . 74.12 111.073 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 453' ' ' THR . 59.7 mtpt -72.01 -40.16 68.67 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.553 -0.749 . . . . 74.41 111.538 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.619 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.4 pp -72.82 -23.59 60.8 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 118.779 0.718 . . . . 75.33 111.137 -176.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.86 -39.14 31.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.315 0.646 . . . . 64.1 109.274 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.87 -42.4 94.87 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.731 0.813 . . . . 64.13 110.371 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 449' ' ' LYS . 40.0 p -65.03 -60.41 3.07 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 118.39 -0.814 . . . . 74.14 109.542 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 60.1 p -52.42 -31.18 33.1 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.67 0.788 . . . . 73.42 112.405 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.0 t -57.82 -67.52 0.33 Allowed 'General case' 0 CA--C 1.55 0.981 0 O-C-N 123.623 0.577 . . . . 71.44 111.16 171.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.423 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 2.8 p90 -70.17 -19.67 63.18 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 112.769 0.655 . . . . 75.15 112.769 -177.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.55 HD23 HG22 ' A' ' 44' ' ' ILE . 62.6 mt -71.51 -44.72 64.15 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.37 0.668 . . . . 75.13 110.537 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 10.0 t -72.95 -31.52 64.63 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.401 0.438 . . . . 75.4 111.137 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -65.07 -49.99 67.89 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.367 0.417 . . . . 74.55 110.327 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . 0.468 ' HG2' ' HE1' ' A' ' 48' ' ' MET . 23.9 tp60 -63.27 -32.55 73.99 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.076 -0.966 . . . . 72.13 110.867 175.126 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.57 -50.75 64.0 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.792 0.437 . . . . 75.03 110.425 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 24.1 m -62.45 -37.53 86.23 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.848 0.718 . . . . 74.42 111.377 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.95 -52.51 14.28 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 116.297 -0.411 . . . . 71.34 111.376 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.7 ttm -61.63 -35.28 77.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.72 0.808 . . . . 72.41 111.167 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -76.82 -64.16 1.19 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.886 -0.783 . . . . 75.2 108.886 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.97 78.51 1.56 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.538 0.685 . . . . 71.14 111.946 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 CA--C 1.561 1.402 0 CA-C-O 118.644 -0.694 . . . . 55.13 110.996 162.386 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.49 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 22.5 ptt? . . . . . 0 CA--C 1.551 1.006 0 CA-C-O 120.752 0.31 . . . . 75.4 110.474 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.0 p -64.21 -58.87 5.31 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.753 0.821 . . . . 74.51 112.501 -174.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -65.8 -32.55 74.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.861 0.865 . . . . 54.14 111.393 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.49 ' HB ' ' HB2' ' A' ' 1' ' ' MET . 39.2 m -76.39 -40.36 51.14 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.889 -0.596 . . . . 63.34 111.6 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.87 -37.15 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 CA-C-N 118.635 0.652 . . . . 74.22 110.801 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.75 -37.91 85.57 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.761 -0.459 . . . . 73.44 109.761 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 4' ' ' THR . 64.4 t80 -54.78 -59.03 5.27 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.203 1.001 . . . . 72.11 110.659 171.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.544 HG12 HG22 ' A' ' 60' ' ' ILE . 94.4 mt -55.07 -58.98 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 124.496 1.118 . . . . 74.13 111.644 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.448 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -60.53 -49.41 77.66 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.371 -1.286 . . . . 62.45 111.494 -170.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' O ' HG13 ' A' ' 14' ' ' ILE . 38.4 mtm180 -69.95 -36.94 75.65 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 118.468 -0.777 . . . . 73.34 111.496 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.424 ' HH2' HD23 ' A' ' 457' ' ' LEU . 24.4 m95 -58.59 -42.64 88.54 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 118.485 0.584 . . . . 75.23 110.741 173.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -58.31 -45.4 88.09 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.873 0.733 . . . . 74.35 110.088 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 32.9 mmt180 -66.87 -32.96 74.56 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 123.8 0.688 . . . . 75.34 111.407 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.493 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.6 mt -64.08 -44.31 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.405 0.682 . . . . 71.24 109.802 178.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -66.44 -43.32 85.95 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.591 0.756 . . . . 65.03 111.736 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.16 -47.87 84.2 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.301 -0.863 . . . . 64.24 110.633 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.467 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 80.8 mt -62.92 -54.6 36.1 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.694 0.798 . . . . 74.21 110.602 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.436 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 61.5 p -53.11 -43.85 67.18 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.885 0.874 . . . . 74.44 111.613 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.68 -51.03 68.81 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.527 -0.76 . . . . 74.53 111.082 176.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -63.35 -45.08 92.84 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.495 0.718 . . . . 63.52 112.3 -174.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.558 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.3 pp -79.86 -21.67 43.82 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.65 0.38 . . . . 75.41 111.308 -176.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.58 -43.85 97.79 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.55 -0.537 . . . . 72.24 109.55 169.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.84 -45.12 93.41 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.773 -1.103 . . . . 74.12 110.154 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.64 -33.67 76.14 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.487 0.715 . . . . 74.44 111.824 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.76 64.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.515 0.726 . . . . 71.02 110.973 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -76.3 -15.61 59.95 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.56 0.344 . . . . 62.45 111.134 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -80.7 -24.52 38.78 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.749 0.82 . . . . 71.42 110.919 172.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.17 7.13 73.86 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 123.556 0.535 . . . . 73.22 112.762 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.3 75.06 4.83 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.933 0.893 . . . . 73.11 109.575 174.201 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -69.24 -33.01 72.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.294 -0.866 . . . . 75.52 111.168 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.54 -50.36 72.09 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.107 0.963 . . . . 75.41 110.089 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.6 mt -73.6 -35.22 65.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.141 -1.39 . . . . 74.35 110.678 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.558 HD13 ' HB2' ' A' ' 21' ' ' LEU . 60.6 tp -58.65 -48.8 79.82 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.461 0.705 . . . . 74.11 110.509 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.54 HD21 HD11 ' A' ' 443' ' ' LEU . 63.6 mt -75.82 -23.81 55.8 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.218 -0.901 . . . . 75.1 111.185 -177.138 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -69.39 -38.47 78.0 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.939 -0.393 . . . . 74.0 109.939 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -85.4 -15.18 43.96 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.881 -0.6 . . . . 74.11 111.668 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -53.06 -59.02 5.06 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.422 1.089 . . . . 70.2 110.721 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.82 -39.34 79.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 114.731 -1.122 . . . . 75.25 111.378 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -63.17 -47.58 82.05 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.109 0.963 . . . . 63.11 110.49 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.436 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.1 t80 -67.87 -57.66 5.88 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 125.098 1.359 . . . . 74.42 111.762 -173.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.21 -40.05 92.54 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.947 0.779 . . . . 75.31 110.832 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.54 -43.16 97.89 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.178 0.299 . . . . 70.5 111.283 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -59.94 -40.67 89.75 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 123.589 0.556 . . . . 65.53 111.307 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.57 ' O ' ' HG2' ' A' ' 48' ' ' MET . 63.0 mt -60.86 -60.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-N 115.745 -0.661 . . . . 62.11 109.383 173.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.49 -30.94 63.55 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.273 0.629 . . . . 75.25 112.301 -174.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 t -84.81 -22.99 29.31 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 112.761 0.652 . . . . 75.44 112.761 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG21 ' SD ' ' A' ' 48' ' ' MET . 34.1 m -77.07 -29.11 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 CA-C-N 119.16 0.891 . . . . 75.02 110.213 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.57 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 62.6 mmm -85.75 -19.67 30.43 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.403 0.52 . . . . 74.21 112.403 -175.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.07 -24.55 62.35 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 118.191 0.451 . . . . 74.54 110.751 172.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -78.02 -12.06 59.96 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.474 0.71 . . . . 73.31 110.9 169.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 59.82 27.53 16.86 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.32 1.448 . . . . 74.2 111.579 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m 61.77 98.94 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.172 0 O-C-N 124.434 1.084 . . . . 74.43 110.251 -170.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.5 ' O ' HG12 ' A' ' 56' ' ' ILE . 48.8 Cg_exo -57.23 124.74 16.88 Favored 'Trans proline' 0 C--N 1.371 1.719 0 C-N-CA 122.541 2.161 . . . . 65.55 110.626 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_exo -64.99 -8.0 16.88 Favored 'Trans proline' 0 C--N 1.368 1.574 0 C-N-CA 122.674 2.249 . . . . 65.44 114.754 -175.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.61 58.49 5.0 Favored Glycine 0 C--N 1.353 1.511 0 C-N-CA 122.674 0.178 . . . . 73.0 112.695 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.5 HG12 ' O ' ' A' ' 53' ' ' PRO . 50.9 mm -122.49 117.83 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.45 1.1 . . . . 72.33 109.142 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.6 t -75.58 166.2 23.94 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.427 -0.583 . . . . 75.21 109.427 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -68.26 -25.66 65.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.827 0.451 . . . . 75.45 112.081 -169.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.6 t -70.52 -46.61 63.3 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.022 0.529 . . . . 73.35 110.276 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.585 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 91.2 mt -64.07 -41.97 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.29 0.636 . . . . 75.12 110.286 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -60.84 -38.86 86.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.495 1.118 . . . . 74.44 111.052 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.37 -47.23 77.11 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.809 0.843 . . . . 63.24 110.761 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.585 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 51.9 mtm -56.87 -52.95 63.14 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.856 0.723 . . . . 73.13 109.98 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.3 m -71.99 -29.89 34.75 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 115.249 -0.887 . . . . 74.01 111.714 -175.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.62 -35.81 78.95 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.325 0.511 . . . . 71.53 110.151 173.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.3 -46.38 93.03 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 115.449 -0.796 . . . . 75.05 111.57 171.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.415 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.2 m-85 -65.45 -34.38 78.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.108 0.563 . . . . 72.32 112.235 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 64' ' ' VAL . 51.8 mt -73.98 -38.03 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.576 -0.527 . . . . 63.01 109.576 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -38.21 89.79 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.587 -0.523 . . . . 73.12 109.587 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.433 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 28.8 mt-30 -65.83 -52.19 52.57 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 115.188 -0.915 . . . . 75.13 110.535 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.516 HG22 ' HA ' ' A' ' 68' ' ' ILE . 6.1 t -63.75 -37.44 87.39 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 123.658 0.599 . . . . 74.12 110.814 -174.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.7 -46.33 85.97 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.38 0.672 . . . . 75.04 110.842 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.26 -51.32 66.64 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.176 0.922 . . . . 61.34 110.814 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.89 -41.88 90.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.574 0.75 . . . . 72.22 110.955 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.488 ' HA ' HD11 ' A' ' 78' ' ' LEU . 37.0 tt0 -73.71 -26.62 60.79 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.193 0.997 . . . . 74.21 111.25 -178.51 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -68.39 -41.76 80.05 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.726 0.81 . . . . 74.04 109.641 171.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.29 -31.99 70.85 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.51 -0.768 . . . . 72.34 110.508 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' A' ' 75' ' ' GLU . 98.1 mt -63.27 -45.32 92.0 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.958 0.503 . . . . 74.55 109.889 171.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -53.14 -54.47 35.31 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.392 0.677 . . . . 75.44 110.646 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.92 -45.66 62.81 Favored Glycine 0 C--N 1.35 1.338 0 O-C-N 123.903 0.752 . . . . 64.53 113.988 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.0 -55.39 26.09 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.772 0.829 . . . . 73.22 109.824 -176.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.67 -31.49 72.67 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.9 -0.591 . . . . 70.21 111.013 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.89 -45.69 89.66 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 122.677 0.391 . . . . 73.54 110.95 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.1 -47.78 84.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.189 -0.914 . . . . 72.53 110.39 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.464 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.2 mmp_? -61.02 -46.99 88.51 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.029 0.831 . . . . 63.15 111.247 -176.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 443' ' ' LEU . 62.7 mt -64.54 -36.46 84.29 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.071 0.948 . . . . 75.53 111.628 -178.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.12 -43.57 98.55 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.927 0.767 . . . . 73.42 110.525 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -69.59 -40.82 76.46 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.685 0.794 . . . . 64.44 110.893 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 94.6 mt -61.18 -51.88 67.16 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.196 0.598 . . . . 74.44 109.786 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 t -61.38 -34.33 75.15 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.746 1.218 . . . . 75.12 111.819 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.2 t -62.33 -46.77 87.22 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.567 -0.742 . . . . 74.43 110.428 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.36 -40.09 74.24 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.778 -0.646 . . . . 75.34 111.689 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.38 -44.53 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.762 0.825 . . . . 71.25 109.928 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.81 -27.73 67.16 Favored Glycine 0 C--N 1.344 1.0 0 O-C-N 123.743 0.652 . . . . 75.25 113.554 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -80.81 -51.82 8.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 122.998 0.519 . . . . 75.43 110.892 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.6 m -78.78 -29.05 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 112.987 0.736 . . . . 73.14 112.987 -171.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 tt -86.2 119.01 26.02 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 107.699 -1.223 . . . . 75.31 107.699 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -96.68 100.09 11.66 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.589 -0.893 . . . . 73.42 108.589 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 14.3 31.6 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.564 0.746 . . . . 75.04 111.213 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 158.71 -66.22 0.29 Allowed Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.501 -0.611 . . . . 75.24 111.942 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.07 134.82 38.25 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.592 2.194 . . . . 73.44 111.313 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.9 m 64.6 20.42 12.14 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.387 1.075 . . . . 74.32 112.181 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.9 119.84 40.44 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.577 0.751 . . . . 70.42 109.254 175.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.63 -10.21 66.69 Favored Glycine 0 C--N 1.349 1.292 0 O-C-N 123.612 0.57 . . . . 75.3 114.346 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.5 pp -146.04 177.33 9.04 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.481 1.112 . . . . 74.34 109.698 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.18 108.55 2.58 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.366 0.667 . . . . 73.3 109.731 175.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -96.91 25.44 0.26 Allowed 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 123.367 2.711 . . . . 74.33 112.769 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -70.27 91.28 0.72 Allowed 'General case' 0 C--N 1.352 0.702 0 N-CA-C 108.84 -0.8 . . . . 73.43 108.84 174.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -152.69 109.54 0.42 Allowed Glycine 0 C--N 1.34 0.775 0 CA-C-N 115.331 -0.849 . . . . 74.32 111.428 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.8 m -83.09 167.3 17.96 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.198 0.599 . . . . 75.3 110.459 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.22 -52.85 4.12 Favored Glycine 0 C--N 1.346 1.113 0 N-CA-C 111.43 -0.668 . . . . 65.4 111.43 -174.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.56 -166.46 37.86 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-O 121.112 0.285 . . . . 73.11 112.704 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.443 HG21 ' H ' ' A' ' 114' ' ' GLU . 2.6 mp -109.13 178.29 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 N-CA-C 106.962 -1.495 . . . . 74.04 106.962 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.443 ' H ' HG21 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -102.82 142.37 34.07 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.052 -1.03 . . . . 73.24 109.14 168.233 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 107.71 -174.27 19.21 Favored Glycine 0 C--N 1.344 0.996 0 O-C-N 123.09 0.244 . . . . 71.03 112.535 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 23.3 t -78.3 -18.84 54.69 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.609 0.764 . . . . 74.31 110.738 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -35.15 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.848 0.859 . . . . 75.2 109.875 170.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.49 -45.33 92.0 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.543 0.737 . . . . 75.31 111.206 173.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.425 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.1 mt-10 -60.44 -53.94 51.51 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 124.207 0.942 . . . . 72.15 110.87 -175.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.3 t -61.18 -43.38 98.97 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.674 0.609 . . . . 72.33 111.485 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.24 -40.88 87.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 122.373 0.269 . . . . 75.43 110.345 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.86 79.43 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.512 0.725 . . . . 52.11 111.799 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.2 mmt180 -68.84 -54.35 16.2 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.097 -0.705 . . . . 75.31 109.097 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -69.65 -26.16 64.27 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.35 -0.841 . . . . 73.31 112.076 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -76.04 -38.46 57.18 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.703 0.801 . . . . 70.43 109.768 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.28 -55.22 26.6 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.206 -0.664 . . . . 75.54 109.206 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -54.34 -41.05 68.63 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.885 0.874 . . . . 65.43 111.352 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -61.62 -62.88 1.5 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-N 116.066 -0.515 . . . . 70.21 110.297 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 40.2 m -62.63 -35.16 78.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.036 0.934 . . . . 71.11 112.454 -172.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -69.08 -47.45 65.24 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.574 0.75 . . . . 75.41 111.322 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.54 HD11 HD21 ' A' ' 34' ' ' LEU . 8.1 mp -73.81 -19.62 60.7 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.457 0.303 . . . . 71.21 110.75 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.34 -42.25 23.3 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.338 1.055 . . . . 65.33 110.974 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.0 t -72.0 -34.09 68.61 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.414 -0.587 . . . . 74.23 109.414 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.552 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.1 ttt -60.41 -45.32 94.0 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 123.844 0.715 . . . . 64.02 109.499 170.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.476 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 33.1 ttm -60.53 -49.11 78.84 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.66 1.225 . . . . 73.15 112.56 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 41.8 p -65.1 -38.83 91.98 Favored 'General case' 0 C--O 1.246 0.895 0 O-C-N 123.482 0.489 . . . . 72.24 110.765 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -72.14 -40.7 67.86 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 115.804 -0.635 . . . . 74.11 111.518 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.552 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -72.7 -23.53 60.88 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 120.899 0.38 . . . . 73.4 110.446 -177.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.72 -50.11 53.42 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 124.148 0.979 . . . . 74.22 109.464 173.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -59.64 -46.6 88.53 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 114.902 -1.044 . . . . 70.42 110.921 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.459 HG22 ' HH ' ' A' ' 456' ' ' TYR . 40.1 p -62.68 -61.79 2.18 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 118.397 -0.811 . . . . 74.11 110.123 -177.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 76.1 p -53.53 -28.98 34.33 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.19 0.596 . . . . 73.33 112.601 -178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.413 ' O ' HG23 ' A' ' 458' ' ' THR . 33.2 t -61.61 -62.31 1.9 Allowed 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.609 0.568 . . . . 73.15 110.868 174.29 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.481 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 3.0 p90 -72.84 -20.6 61.1 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 112.053 0.39 . . . . 72.44 112.053 -177.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.511 HD21 HG22 ' A' ' 44' ' ' ILE . 70.8 mt -74.19 -37.22 63.99 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.262 0.625 . . . . 74.31 110.951 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.413 HG23 ' O ' ' A' ' 455' ' ' SER . 7.1 t -74.6 -32.0 62.21 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 110.267 -0.271 . . . . 72.33 110.267 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -59.89 -53.46 57.63 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.278 0.561 . . . . 74.13 109.617 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . 0.486 ' HG2' ' HE3' ' A' ' 48' ' ' MET . 28.6 tp60 -61.86 -35.18 77.53 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 114.331 -1.304 . . . . 74.51 111.217 -178.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . 0.408 ' HB2' HG21 ' A' ' 68' ' ' ILE . 30.0 t80 -65.58 -56.32 12.9 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.321 0.648 . . . . 74.15 110.353 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 32.0 m -61.0 -35.52 77.04 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 124.17 0.919 . . . . 72.52 111.187 -175.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.8 -52.04 14.39 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.172 0.589 . . . . 72.32 110.971 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 52.8 ttm -62.03 -33.98 75.36 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 115.611 -0.722 . . . . 75.4 110.784 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -81.51 -69.67 0.59 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.911 -0.774 . . . . 73.02 108.911 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.11 79.37 1.83 Allowed 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.123 0.569 . . . . 71.22 112.427 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.253 1.264 0 O-C-N 121.366 -0.833 . . . . 73.03 109.382 167.197 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 CA--C 1.552 1.025 0 CA-C-O 121.003 0.43 . . . . 75.14 110.525 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 p -64.76 -53.68 43.29 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.807 0.843 . . . . 73.01 111.739 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -63.74 -37.15 86.3 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.857 0.863 . . . . 73.33 111.122 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.449 ' O ' HG13 ' A' ' 8' ' ' ILE . 7.1 m -77.48 -34.79 54.2 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.461 -0.79 . . . . 72.15 111.548 -175.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -73.31 -42.72 57.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 118.218 0.463 . . . . 65.02 110.688 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.76 -36.55 84.24 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.471 0.308 . . . . 52.3 110.178 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.589 ' HE1' HG23 ' A' ' 52' ' ' THR . 79.9 t80 -52.86 -56.14 18.03 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.238 1.015 . . . . 73.02 111.396 171.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.535 HG12 HG23 ' A' ' 60' ' ' ILE . 72.4 mt -58.57 -52.29 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 123.607 0.763 . . . . 72.02 111.509 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.441 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 86.6 m-20 -56.52 -50.71 71.01 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.326 1.016 . . . . 74.25 111.374 -175.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -68.27 -42.0 80.21 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.651 0.594 . . . . 71.43 111.117 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -62.53 -39.45 93.6 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 118.144 0.429 . . . . 75.42 111.282 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -56.5 -48.58 76.89 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.5 0.5 . . . . 75.42 110.163 172.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 75.8 mmt-85 -60.9 -41.16 95.53 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 123.722 0.639 . . . . 73.43 110.765 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.88 -44.28 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.075 0.95 . . . . 75.01 110.997 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.09 -40.06 71.77 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.52 0.328 . . . . 74.53 111.863 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.29 -40.88 86.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.035 0.534 . . . . 75.51 111.172 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.432 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 92.7 mt -70.47 -48.86 53.76 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.548 0.739 . . . . 74.41 109.694 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.458 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.4 p -56.48 -41.26 76.28 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.816 0.698 . . . . 65.12 111.476 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -60.34 -52.65 64.36 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.385 1.053 . . . . 75.04 111.533 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -61.97 -47.31 85.42 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.484 -0.78 . . . . 74.54 111.334 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.3 pp -76.15 -19.85 58.09 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 122.919 0.488 . . . . 73.51 111.708 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.91 -44.95 83.7 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.395 -0.595 . . . . 63.44 109.395 172.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 34.4 mt-10 -60.62 -40.33 91.48 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.496 -1.229 . . . . 64.14 110.452 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 21' ' ' LEU . 88.1 mt -65.35 -38.46 90.15 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.436 0.695 . . . . 70.02 111.488 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.9 75.29 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.429 0.692 . . . . 65.31 111.566 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -77.16 -19.35 56.94 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.874 -0.603 . . . . 74.51 111.204 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.553 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -80.26 -20.43 44.51 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.226 0.61 . . . . 74.54 110.834 171.229 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.91 11.41 73.59 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 123.064 0.227 . . . . 71.12 113.171 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.553 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 40.2 mm-40 -70.39 82.22 0.56 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.513 0.725 . . . . 73.32 109.647 173.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -74.23 -41.36 61.45 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.284 0.233 . . . . 72.11 110.809 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.6 -50.48 67.94 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.119 0.968 . . . . 73.41 110.708 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.4 mt -70.94 -38.19 72.87 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.064 -1.426 . . . . 75.31 110.822 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 21' ' ' LEU . 58.7 tp -59.9 -46.45 89.3 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.873 0.869 . . . . 70.32 111.384 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.511 HD22 HD13 ' A' ' 443' ' ' LEU . 63.0 mt -75.23 -27.65 59.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.452 1.101 . . . . 72.33 111.07 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -69.44 -33.65 73.26 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.996 0.427 . . . . 74.25 109.991 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -82.55 -22.9 34.76 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.945 0.898 . . . . 74.54 111.665 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -49.48 -55.01 14.72 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.865 1.266 . . . . 64.55 111.019 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.3 m -60.14 -43.73 93.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 114.717 -1.128 . . . . 70.45 111.676 -174.093 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -66.85 -53.67 30.15 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.734 0.814 . . . . 62.13 110.765 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.458 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 20.3 t80 -59.79 -58.74 7.24 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.807 -1.542 . . . . 74.25 112.005 -175.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.3 -40.62 97.88 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.48 -0.782 . . . . 71.01 110.926 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.79 -39.53 77.72 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.891 0.476 . . . . 74.13 111.625 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.1 m -62.99 -44.37 96.22 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 123.691 0.619 . . . . 63.41 111.529 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.439 HG22 HD23 ' A' ' 457' ' ' LEU . 51.2 mt -63.15 -44.88 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 CA-C-O 121.787 0.803 . . . . 74.23 110.639 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 45.6 mt-10 -60.55 -47.21 87.17 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 114.867 -1.06 . . . . 74.32 109.828 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -74.55 -30.07 61.6 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.154 0.427 . . . . 75.44 112.154 -171.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 m -69.08 -32.82 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.661 0.664 . . . . 73.33 110.106 173.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.0 mmt -80.57 -24.22 39.36 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.248 0.462 . . . . 73.34 112.248 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 11.4 mm-40 -77.9 -24.45 48.38 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.23 0.468 . . . . 71.12 110.033 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -83.23 -2.12 54.79 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.203 0.601 . . . . 75.33 109.766 170.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 68.98 9.06 7.21 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.739 1.616 . . . . 74.14 112.442 175.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.589 HG23 ' HE1' ' A' ' 7' ' ' PHE . 53.5 m 62.09 105.38 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.263 0 C-N-CA 124.818 1.247 . . . . 75.14 110.83 -173.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -46.42 125.18 8.78 Favored 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 123.577 2.851 . . . . 73.44 112.972 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.98 -22.69 14.6 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.826 2.35 . . . . 72.42 113.926 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.79 70.11 3.23 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-O 120.969 0.205 . . . . 65.01 112.723 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.0 mm -120.29 121.91 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.234 1.013 . . . . 74.53 109.422 -174.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 t -75.26 164.65 26.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.947 0.499 . . . . 74.53 110.377 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -67.91 -18.24 64.72 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 112.801 0.667 . . . . 73.44 112.801 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.5 m -72.26 -45.01 61.96 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.408 0.623 . . . . 61.42 111.077 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.535 HG23 HG12 ' A' ' 8' ' ' ILE . 84.6 mt -74.34 -37.81 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 114.88 -1.055 . . . . 75.05 109.543 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -63.14 -34.07 76.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.098 0.959 . . . . 75.2 110.291 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.1 -51.0 63.89 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.585 0.754 . . . . 53.41 111.23 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.495 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 64.1 mtm -56.33 -52.82 63.14 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.566 0.541 . . . . 73.43 110.841 -179.249 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.47 ' O ' HG13 ' A' ' 68' ' ' ILE . 19.8 m -74.73 -27.71 20.94 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 CA-C-N 115.535 -0.757 . . . . 75.03 111.927 -173.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.95 81.59 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.143 0.429 . . . . 62.53 110.249 170.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.64 -42.14 93.54 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-N 115.868 -0.605 . . . . 71.21 112.175 173.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 24.2 m-85 -65.81 -43.49 88.49 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.101 0.56 . . . . 64.32 111.625 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 64' ' ' VAL . 67.7 mt -67.54 -42.9 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 109.34 -0.615 . . . . 75.24 109.34 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -57.68 -49.85 75.12 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.844 0.458 . . . . 64.34 110.913 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.22 -40.17 86.34 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.943 -0.571 . . . . 72.24 110.283 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -27.39 65.28 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.418 -0.356 . . . . 75.32 110.838 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.43 -48.75 63.78 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.72 0.808 . . . . 74.52 110.842 174.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.499 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 24.1 t70 -56.9 -53.25 60.09 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.311 1.007 . . . . 64.22 110.044 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.431 ' N ' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -62.79 -45.18 93.85 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.596 -1.184 . . . . 63.31 111.107 -175.464 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.509 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.6 tt0 -73.92 -24.5 59.68 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.604 0.761 . . . . 74.13 111.892 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -72.39 -37.62 68.67 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.098 0.559 . . . . 74.21 110.06 172.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 68.3 mt -69.52 -32.91 72.04 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.76 -0.655 . . . . 73.41 110.102 176.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 75' ' ' GLU . 81.3 mt -63.84 -46.48 84.85 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.077 0.551 . . . . 75.21 109.82 172.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.05 -51.6 63.54 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.822 0.849 . . . . 74.43 111.286 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.7 -44.27 71.42 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 123.63 0.581 . . . . 74.12 113.679 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.11 -53.96 41.4 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.643 0.777 . . . . 75.2 109.711 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.83 -24.21 66.13 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.675 -0.693 . . . . 74.13 111.192 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.7 -46.5 87.85 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.254 0.479 . . . . 63.51 110.552 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -59.51 -48.92 79.78 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.414 1.071 . . . . 75.12 110.046 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -59.58 -49.02 79.4 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.425 -0.807 . . . . 74.31 111.383 -176.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.431 HD22 ' HB2' ' A' ' 443' ' ' LEU . 73.9 mt -69.7 -28.23 65.67 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.682 0.793 . . . . 74.11 111.694 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.13 -44.41 88.8 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.361 0.6 . . . . 72.22 109.776 175.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -70.35 -45.04 66.93 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 114.813 -1.085 . . . . 72.24 111.259 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.442 ' O ' HG13 ' A' ' 93' ' ' ILE . 91.9 mt -62.96 -42.72 99.91 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 123.545 0.738 . . . . 63.44 110.147 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.4 t -59.7 -45.85 90.87 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.467 0.707 . . . . 72.12 110.484 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.2 t -59.87 -42.56 93.98 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.874 0.734 . . . . 62.02 111.086 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.68 -47.62 80.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.267 0.627 . . . . 75.24 111.002 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 89' ' ' LEU . 80.3 mt -58.83 -42.3 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.676 0.791 . . . . 74.32 110.067 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.73 -33.65 87.83 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 116.167 -0.469 . . . . 73.11 113.402 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.35 -35.74 24.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.395 0.678 . . . . 74.11 111.784 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.455 HG23 HG22 ' A' ' 433' ' ' VAL . 31.2 m -89.68 -27.79 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 122.535 0.334 . . . . 73.22 111.737 -175.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.91 112.38 23.73 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 108.369 -0.975 . . . . 72.53 108.369 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -87.11 86.03 7.27 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 107.54 -1.281 . . . . 74.23 107.54 171.018 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.76 12.51 10.66 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.514 0.726 . . . . 75.25 112.525 -175.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 159.64 -70.42 0.24 Allowed Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.228 -0.762 . . . . 73.53 111.467 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.55 143.87 93.62 Favored 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 123.249 2.633 . . . . 70.31 112.684 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 m 78.3 -43.74 0.37 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 126.118 1.767 . . . . 63.54 111.906 -176.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.91 127.41 33.03 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.139 0.576 . . . . 62.11 110.685 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.72 41.07 3.0 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 120.784 0.102 . . . . 64.24 113.006 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 pp -166.58 168.26 14.73 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.034 1.334 . . . . 74.33 108.868 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.1 t -89.35 105.81 11.68 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 107.973 -1.121 . . . . 71.4 107.973 172.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -95.77 29.97 0.2 Allowed 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 123.587 2.858 . . . . 74.52 113.011 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -75.62 87.99 2.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.416 0.687 . . . . 74.2 109.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -148.56 84.78 0.17 Allowed Glycine 0 C--N 1.336 0.58 0 CA-C-N 114.991 -1.004 . . . . 73.13 111.404 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.5 p -73.49 96.61 2.43 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.343 0.657 . . . . 73.42 110.096 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.12 -57.01 0.17 Allowed Glycine 0 C--N 1.339 0.703 0 N-CA-C 111.163 -0.775 . . . . 54.12 111.163 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -173.66 106.92 0.23 Allowed Glycine 0 C--N 1.346 1.131 0 CA-C-O 120.099 -0.278 . . . . 64.3 112.534 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 4.4 mp -72.95 152.1 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 N-CA-C 108.662 -0.866 . . . . 72.23 108.662 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -83.72 101.13 11.34 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.586 0.754 . . . . 75.13 110.211 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 142.83 -177.67 21.69 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 116.444 -0.343 . . . . 55.02 113.593 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 8.5 t -76.94 -18.42 58.27 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.701 0.8 . . . . 71.02 110.68 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -42.77 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.089 0.955 . . . . 72.33 109.824 169.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.68 -39.11 83.44 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.716 0.807 . . . . 74.44 111.677 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.481 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.4 mt-10 -67.32 -58.13 5.36 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.011 0.819 . . . . 75.24 110.749 -177.314 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 10.0 t -61.5 -40.67 95.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.658 0.383 . . . . 73.33 111.681 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . 0.455 HG22 HG23 ' A' ' 96' ' ' VAL . 55.9 t -61.06 -49.04 86.33 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 CA-C-O 119.163 -0.446 . . . . 75.02 109.926 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.2 -34.04 71.68 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.607 0.567 . . . . 72.44 111.95 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.481 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.7 mmt180 -69.95 -52.95 20.23 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 110.287 -0.264 . . . . 74.11 110.287 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -69.39 -24.94 63.93 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.337 -0.392 . . . . 71.52 111.693 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -76.3 -39.8 53.22 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.57 1.148 . . . . 65.12 109.805 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.05 -48.11 66.52 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.978 0.511 . . . . 44.52 110.468 176.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.45 -40.37 90.88 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.989 0.516 . . . . 75.31 110.661 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.54 -56.17 22.95 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 122.866 0.466 . . . . 74.11 109.811 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 58.5 m -62.85 -34.23 76.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.914 1.285 . . . . 75.32 112.996 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -79.62 -46.15 17.77 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.111 0.564 . . . . 73.44 111.125 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.511 HD13 HD22 ' A' ' 34' ' ' LEU . 10.0 mp -67.98 -19.65 64.96 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 110.389 -0.226 . . . . 75.41 110.389 172.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -78.7 -48.62 14.62 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.689 1.196 . . . . 72.01 110.951 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -65.3 -33.65 76.49 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.597 -0.52 . . . . 75.22 109.597 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.634 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.8 ttt -62.24 -50.92 69.81 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 123.564 0.54 . . . . 74.11 110.004 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.467 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 33.3 ttm -58.99 -48.96 79.69 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.005 0.816 . . . . 75.12 112.466 -176.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 32.7 p -64.3 -45.84 86.21 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.347 0.659 . . . . 71.3 110.732 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -66.95 -40.31 87.5 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.787 -0.642 . . . . 73.42 111.428 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.634 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.1 pp -73.64 -24.34 59.99 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 123.107 0.254 . . . . 74.24 110.371 -177.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -73.29 -42.24 62.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.716 0.806 . . . . 73.11 109.206 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -67.57 -43.59 80.25 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.975 -1.012 . . . . 71.41 110.901 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.409 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 34.8 p -63.65 -60.02 3.86 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-O 118.638 -0.696 . . . . 75.21 109.587 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 87.1 p -54.46 -31.34 55.41 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.506 0.722 . . . . 71.13 112.207 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.4 t -59.5 -65.2 0.71 Allowed 'General case' 0 C--O 1.247 0.951 0 O-C-N 123.696 0.623 . . . . 74.52 110.638 173.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.405 ' HA ' HE21 ' A' ' 459' ' ' GLN . 0.9 OUTLIER -69.68 -21.35 63.52 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 111.983 0.364 . . . . 75.33 111.983 -176.929 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.439 HD23 HG22 ' A' ' 44' ' ' ILE . 43.8 mt -73.51 -43.43 60.09 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.709 0.803 . . . . 74.32 110.897 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 11.2 t -70.71 -37.21 73.54 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.49 0.186 . . . . 73.11 110.806 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . 0.405 HE21 ' HA ' ' A' ' 456' ' ' TYR . 15.7 mt-30 -68.33 -47.41 67.61 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.044 -0.525 . . . . 60.52 110.311 177.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -64.99 -33.89 77.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.888 0.875 . . . . 74.22 110.983 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . 0.419 ' HB2' HG23 ' A' ' 68' ' ' ILE . 34.5 t80 -63.23 -47.13 83.79 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.225 0.61 . . . . 73.11 110.521 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 28.0 m -61.22 -31.24 71.02 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 123.584 0.553 . . . . 74.53 110.527 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.89 -54.55 8.43 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.095 0.558 . . . . 60.33 111.83 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 49.8 ttm -67.01 -32.25 73.35 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.959 0.904 . . . . 74.01 110.986 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -77.87 -66.08 0.89 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 108.942 -0.762 . . . . 73.34 108.942 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.74 77.41 1.51 Allowed 'General case' 0 CA--C 1.563 1.473 0 C-N-CA 122.817 0.447 . . . . 75.31 111.982 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.489 1.494 0 C-N-CA 123.555 0.742 . . . . 73.35 112.16 166.645 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 109.788 -0.449 . . . . 75.33 109.788 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -62.12 -58.03 9.32 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.953 0.901 . . . . 72.43 112.787 -171.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -60.49 -38.28 83.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.454 0.702 . . . . 70.31 111.283 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.401 ' O ' HG13 ' A' ' 8' ' ' ILE . 39.3 m -71.13 -43.68 67.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.687 0.795 . . . . 71.25 111.567 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.02 -37.76 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.007 0.367 . . . . 71.12 110.809 -174.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.3 -33.72 71.89 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.624 0.37 . . . . 74.44 110.041 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -57.6 -56.34 23.21 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.711 0.804 . . . . 72.42 110.47 171.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 4' ' ' THR . 99.7 mt -56.61 -55.02 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 124.361 1.064 . . . . 74.01 111.212 -178.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.449 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -60.61 -52.43 65.19 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 114.571 -1.195 . . . . 72.43 111.043 -173.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 14' ' ' ILE . 78.6 mtm180 -74.65 -32.22 62.19 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 118.371 -0.823 . . . . 74.51 112.221 -170.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -64.41 -38.81 92.33 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 119.008 0.822 . . . . 72.11 110.378 171.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.6 -41.65 97.76 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 123.469 0.481 . . . . 72.23 110.043 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.449 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 30.9 mmt180 -59.44 -49.62 77.1 Favored 'General case' 0 C--N 1.362 1.132 0 O-C-N 123.689 0.618 . . . . 74.24 109.621 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 10' ' ' ARG . 97.1 mt -55.08 -41.82 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 124.543 1.137 . . . . 74.24 111.537 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.46 80.99 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.315 0.646 . . . . 61.02 111.522 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.98 -35.15 76.39 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.338 0.655 . . . . 74.41 111.13 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.0 mt -69.44 -53.52 18.87 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.798 0.839 . . . . 73.04 109.613 -177.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.473 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 50.9 p -56.98 -43.67 81.9 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 124.459 1.099 . . . . 75.05 111.231 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -56.1 -51.96 66.01 Favored 'General case' 0 C--O 1.245 0.839 0 O-C-N 124.26 0.975 . . . . 75.15 110.819 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 56.3 m -60.61 -58.27 9.17 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.026 0.829 . . . . 71.24 111.027 -177.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.61 ' HB2' HD11 ' A' ' 33' ' ' LEU . 3.7 pp -67.88 -22.56 65.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.158 0.583 . . . . 73.34 112.43 -173.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 74' ' ' ASN . 60.1 tp -64.05 -48.99 74.1 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.233 -0.654 . . . . 74.51 109.233 172.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.71 -36.61 84.42 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 114.528 -1.215 . . . . 65.33 110.455 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 32' ' ' LEU . 64.5 mt -70.6 -31.59 68.63 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.567 0.747 . . . . 72.22 111.504 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.431 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -71.1 -45.76 63.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.721 0.808 . . . . 72.23 111.002 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -72.24 -28.06 62.91 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.935 0.494 . . . . 73.21 110.678 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -68.88 -26.09 64.94 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.545 0.738 . . . . 72.35 110.419 171.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.01 3.18 68.19 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 116.206 -0.452 . . . . 42.42 112.996 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.08 82.22 2.92 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 109.347 -0.612 . . . . 72.25 109.347 174.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -65.25 -29.06 69.8 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.153 -0.93 . . . . 73.44 110.578 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.66 -51.26 70.71 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.337 1.055 . . . . 54.32 110.671 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.539 ' HB3' HD12 ' A' ' 24' ' ' LEU . 79.0 mt -75.1 -33.82 61.65 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.223 -0.899 . . . . 73.11 111.088 -176.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.61 HD11 ' HB2' ' A' ' 21' ' ' LEU . 48.9 tp -58.32 -52.64 64.76 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.922 0.889 . . . . 75.14 110.613 172.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 443' ' ' LEU . 99.0 mt -70.03 -27.09 64.38 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.872 0.869 . . . . 73.1 111.782 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -62.27 -45.21 94.3 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.445 -0.576 . . . . 71.22 109.445 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.494 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 86.1 mm-40 -82.91 -13.07 56.77 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.343 -0.844 . . . . 73.53 111.736 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.48 -55.12 38.95 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.807 0.843 . . . . 64.22 110.956 174.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 m -56.68 -45.8 82.78 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 O-C-N 124.37 1.044 . . . . 74.22 111.094 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 p -67.89 -47.8 67.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.502 0.721 . . . . 70.43 110.669 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 30.0 t80 -59.29 -59.18 5.87 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.065 0.946 . . . . 75.55 112.099 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.98 -38.66 91.7 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 123.917 0.761 . . . . 73.04 110.68 -176.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -59.89 -42.59 94.11 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.288 0.367 . . . . 73.51 111.119 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 71.9 m -63.4 -40.52 97.43 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.436 0.694 . . . . 73.25 111.451 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.409 HG22 HD21 ' A' ' 457' ' ' LEU . 68.1 mt -64.32 -44.54 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.093 0.473 . . . . 73.24 110.756 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.82 -34.89 67.14 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.093 -0.503 . . . . 74.52 111.768 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -74.47 -34.11 63.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.022 0.129 . . . . 75.53 110.775 -178.054 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.01 -29.87 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 O-C-N 122.145 -0.347 . . . . 73.44 110.136 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.447 ' HE1' ' HG3' ' A' ' 460' ' ' GLN . 21.5 mmt -79.69 -11.3 59.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.312 0.645 . . . . 65.34 112.292 175.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.45 -31.69 70.16 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 109.196 -0.668 . . . . 74.54 109.196 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -90.0 -24.76 21.14 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.934 0.894 . . . . 73.33 110.43 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.427 ' HA ' ' HA ' ' A' ' 48' ' ' MET . 9.1 tt0 61.44 -79.36 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.917 1.687 . . . . 63.51 109.958 -169.117 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.2 m -152.38 115.77 2.91 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 124.335 1.054 . . . . 74.02 108.256 172.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.96 139.64 91.75 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.27 1.98 . . . . 75.21 111.093 166.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.31 -21.37 61.52 Favored 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.449 2.1 . . . . 75.13 113.271 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.37 58.47 4.99 Favored Glycine 0 C--N 1.351 1.401 0 C-N-CA 122.67 0.176 . . . . 71.13 112.742 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mm -122.23 117.06 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.211 1.004 . . . . 74.53 108.8 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t -79.25 173.12 12.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.791 0.836 . . . . 73.33 110.488 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -23.95 65.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.345 0.658 . . . . 74.15 112.104 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 t -70.4 -56.87 5.61 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.587 -0.523 . . . . 74.42 109.587 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.23 -35.83 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.303 1.041 . . . . 73.42 110.988 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -57.66 -47.48 82.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.008 0.923 . . . . 60.1 110.628 175.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.78 -35.35 74.82 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 123.935 0.772 . . . . 72.23 110.819 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.4 mtp -60.33 -60.34 3.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.221 1.008 . . . . 73.25 110.644 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.49 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.8 m -70.59 -24.14 25.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.918 0 CA-C-N 115.236 -0.893 . . . . 74.44 111.066 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.37 93.57 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.71 -0.478 . . . . 75.23 109.71 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.95 -43.42 98.93 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 115.939 -0.573 . . . . 65.22 112.107 174.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -64.54 -41.65 96.21 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.22 0.608 . . . . 74.14 112.0 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.554 HG22 ' HB2' ' A' ' 461' ' ' PHE . 61.8 mt -72.45 -37.06 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.59 -0.522 . . . . 73.43 109.59 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -63.68 -40.11 95.99 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 110.207 -0.294 . . . . 74.11 110.207 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.5 -50.16 73.83 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 115.882 -0.599 . . . . 72.33 110.229 174.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.405 HG21 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -67.36 -32.68 73.78 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.434 -0.803 . . . . 75.42 110.975 -173.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.75 -44.81 84.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.545 0.738 . . . . 73.42 110.255 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.73 -51.1 70.79 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.316 -0.856 . . . . 72.14 110.615 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.415 ' HA ' HD22 ' A' ' 22' ' ' LEU . 12.7 m120 -65.76 -44.78 84.84 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.231 -0.895 . . . . 64.23 111.212 -177.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 78' ' ' LEU . 44.0 tt0 -70.02 -28.02 65.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.355 1.062 . . . . 73.31 112.037 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.22 -42.15 72.68 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.202 0.525 . . . . 70.32 109.721 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.8 -31.06 71.81 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.479 -0.782 . . . . 75.25 111.1 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.4 mt -62.31 -49.51 75.33 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.794 0.437 . . . . 65.22 110.047 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -51.9 -54.52 28.34 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 124.123 0.889 . . . . 75.54 110.458 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.71 -58.5 11.93 Favored Glycine 0 C--N 1.354 1.547 0 O-C-N 123.714 0.634 . . . . 72.42 113.876 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.83 -56.03 26.85 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.526 1.131 . . . . 75.34 110.635 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.449 HD23 HD22 ' A' ' 443' ' ' LEU . 77.4 mt -64.8 -35.18 80.28 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 118.621 -0.704 . . . . 73.01 110.931 -176.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.423 ' N ' ' HE3' ' A' ' 447' ' ' MET . 10.1 tt0 -61.66 -39.54 91.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 118.358 0.526 . . . . 62.32 111.389 179.244 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.406 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 25.3 mt-30 -61.79 -50.61 71.67 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.609 -0.723 . . . . 73.12 110.144 174.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -44.24 92.13 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.06 0.944 . . . . 71.43 111.618 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.703 HD21 ' HB2' ' A' ' 443' ' ' LEU . 91.9 mt -69.82 -36.52 75.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.352 1.061 . . . . 74.21 111.696 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.22 -37.61 88.1 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.705 0.628 . . . . 73.35 109.815 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 39.8 mt-10 -65.12 -47.95 75.31 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 114.964 -1.016 . . . . 71.02 110.631 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 93' ' ' ILE . 97.1 mt -59.55 -41.03 89.19 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.445 0.698 . . . . 75.24 111.005 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.1 t -63.21 -40.52 97.71 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.399 1.08 . . . . 70.24 111.023 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 32.4 t -63.17 -45.54 91.32 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 115.385 -0.825 . . . . 72.14 110.009 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.441 ' O ' HG21 ' A' ' 96' ' ' VAL . 95.7 mt -60.13 -39.46 86.38 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.037 0.935 . . . . 72.54 111.426 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 89' ' ' LEU . 75.7 mt -62.25 -46.24 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.342 0.657 . . . . 75.32 109.471 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.76 -26.59 67.13 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 116.09 -0.505 . . . . 73.11 113.887 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.6 mm100 -82.5 -50.38 8.9 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.404 0.681 . . . . 74.21 111.346 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.441 HG21 ' O ' ' A' ' 92' ' ' LEU . 26.8 m -83.83 -44.63 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 C-N-CA 122.539 0.336 . . . . 70.45 111.804 -173.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.525 ' HA ' HD13 ' A' ' 429' ' ' ILE . 0.8 OUTLIER -76.95 115.89 17.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.443 -0.947 . . . . 73.3 108.443 -178.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -75.98 83.43 2.87 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 107.264 -1.384 . . . . 75.53 107.264 167.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -11.78 61.0 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.187 0.595 . . . . 74.12 112.306 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.53 -71.91 0.04 OUTLIER Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.315 -0.714 . . . . 64.41 111.315 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.55 -170.51 0.96 Allowed 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 123.129 2.553 . . . . 71.52 113.056 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.1 m 65.8 27.66 11.04 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.952 1.301 . . . . 75.51 112.046 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.414 ' HB2' ' HG3' ' A' ' 107' ' ' PRO . . . -157.42 140.26 15.06 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.794 0.838 . . . . 73.43 109.754 175.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.68 -39.39 66.87 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 123.633 0.583 . . . . 72.32 112.483 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.85 178.34 8.37 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.867 0.467 . . . . 74.11 109.773 171.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.3 t -89.5 104.42 8.06 Favored Pre-proline 0 CA--C 1.55 0.953 0 N-CA-C 108.722 -0.844 . . . . 72.42 108.722 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.414 ' HG3' ' HB2' ' A' ' 103' ' ' ALA . 23.0 Cg_endo -93.68 18.51 0.9 Allowed 'Trans proline' 0 C--N 1.368 1.591 0 C-N-CA 123.487 2.791 . . . . 73.55 112.552 -177.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -76.17 76.07 2.99 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.997 0.903 . . . . 74.24 109.363 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -108.09 58.1 0.41 Allowed Glycine 0 C--N 1.339 0.699 0 N-CA-C 110.446 -1.062 . . . . 62.01 110.446 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.8 p -66.26 100.54 0.63 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.545 0.738 . . . . 74.22 109.668 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 134.91 -40.13 1.6 Allowed Glycine 0 C--N 1.34 0.756 0 CA-C-N 115.114 -0.948 . . . . 61.01 111.183 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.02 122.38 1.01 Allowed Glycine 0 C--N 1.346 1.103 0 N-CA-C 112.191 -0.364 . . . . 73.14 112.191 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.596 HG23 ' H ' ' A' ' 114' ' ' GLU . 1.6 mp -100.42 -176.2 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.67 0 N-CA-C 107.459 -1.311 . . . . 75.51 107.459 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.596 ' H ' HG23 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -121.28 136.21 55.0 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.921 0.889 . . . . 74.32 109.242 174.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 103.77 -171.26 19.86 Favored Glycine 0 C--N 1.345 1.037 0 C-N-CA 123.219 0.438 . . . . 63.13 112.158 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 20.8 t -68.89 -22.8 64.16 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.646 0.779 . . . . 75.53 111.49 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -60.46 -34.04 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.695 0.798 . . . . 74.43 109.785 174.483 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -61.86 -43.02 99.7 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.152 0.581 . . . . 71.12 111.297 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.67 -52.38 52.06 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.127 0.892 . . . . 72.12 110.871 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.2 t -65.1 -39.56 93.3 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 123.827 0.704 . . . . 71.21 111.217 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.04 -38.57 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.125 0.57 . . . . 70.44 110.862 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.96 83.55 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.88 0.472 . . . . 75.11 110.485 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -73.22 -47.12 46.03 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 123.308 0.643 . . . . 75.31 111.221 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -61.98 -44.36 96.91 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 123.257 0.348 . . . . 75.35 111.151 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.31 -42.85 92.61 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.068 0.855 . . . . 75.14 110.397 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.91 -58.77 7.1 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.735 0.647 . . . . 61.1 110.715 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -63.09 -38.82 92.71 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.204 0.602 . . . . 74.23 111.235 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . 0.453 ' HA ' HD23 ' A' ' 86' ' ' LEU . 82.5 t80 -61.82 -62.49 1.76 Allowed 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.633 0.583 . . . . 71.12 109.486 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 59.7 m -56.63 -37.88 71.35 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.19 0.931 . . . . 75.51 112.059 -174.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -65.78 -54.17 30.53 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.398 0.679 . . . . 73.03 111.784 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.703 ' HB2' HD21 ' A' ' 86' ' ' LEU . 9.1 mp -71.17 -23.94 62.15 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.462 0.305 . . . . 74.31 111.309 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -79.8 -38.31 33.27 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.093 0.957 . . . . 72.13 111.349 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.0 t -75.46 -31.9 60.44 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.201 -0.666 . . . . 64.55 109.201 174.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.57 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.5 ttt -60.22 -41.76 93.74 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 109.218 -0.66 . . . . 72.11 109.218 170.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.556 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 27.6 ttm -64.9 -49.04 72.0 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.469 1.106 . . . . 72.21 112.286 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 20.6 p -63.42 -37.24 86.53 Favored 'General case' 0 C--O 1.242 0.694 0 O-C-N 123.647 0.592 . . . . 73.4 110.803 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -69.6 -46.02 67.26 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 115.967 -0.561 . . . . 75.33 110.921 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.57 HD22 ' HG2' ' A' ' 446' ' ' MET . 3.3 pp -73.75 -18.25 61.0 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 117.842 0.292 . . . . 75.15 111.391 -175.469 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -80.4 -41.48 24.54 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.283 0.633 . . . . 64.44 109.396 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -61.36 -48.09 82.86 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 115.614 -0.721 . . . . 73.32 109.779 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.493 HG23 ' HH ' ' A' ' 456' ' ' TYR . 68.8 p -62.34 -56.71 15.75 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 118.014 -0.993 . . . . 73.24 109.64 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 67.1 p -50.18 -38.78 41.42 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.919 0.888 . . . . 74.33 112.654 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -57.87 -64.02 1.05 Allowed 'General case' 0 C--O 1.246 0.915 0 O-C-N 124.087 0.867 . . . . 74.22 110.884 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.493 ' HH ' HG23 ' A' ' 453' ' ' THR . 4.6 p90 -72.68 -20.96 61.14 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.407 0.521 . . . . 75.31 112.407 -176.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.409 HD21 HG22 ' A' ' 44' ' ' ILE . 35.6 mt -71.92 -42.51 66.61 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.779 0.832 . . . . 73.22 110.095 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.8 t -73.4 -34.33 65.46 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.546 0.529 . . . . 72.24 110.222 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -62.04 -49.23 76.81 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.486 0.491 . . . . 74.53 110.336 172.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . 0.447 ' HG3' ' HE1' ' A' ' 48' ' ' MET . 16.4 tm0? -69.95 -37.42 75.85 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.015 -0.993 . . . . 74.34 110.598 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . 0.554 ' HB2' HG22 ' A' ' 68' ' ' ILE . 9.1 t80 -60.91 -57.11 14.02 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.296 1.038 . . . . 71.21 110.693 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 29.5 m -63.66 -29.41 70.65 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 123.912 0.758 . . . . 74.35 110.74 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -68.92 -52.04 33.53 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.242 0.617 . . . . 74.1 111.019 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 39.8 ttm -65.04 -35.79 82.28 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.395 0.678 . . . . 65.32 110.663 -174.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -78.6 -64.2 1.23 Allowed 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.433 -0.803 . . . . 63.14 108.946 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.07 81.1 1.96 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.638 0.775 . . . . 74.4 111.955 175.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.491 1.619 0 C-N-CA 123.58 0.752 . . . . 64.32 112.135 167.336 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 CA--C 1.554 1.098 0 CA-C-O 121.781 0.801 . . . . 73.22 110.577 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.4 p -68.27 -45.21 73.75 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 115.78 -0.645 . . . . 75.41 111.938 -175.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 m -66.64 -32.1 73.2 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.876 0.47 . . . . 72.03 111.36 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.462 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 83.7 m -74.05 -39.59 63.4 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.758 -0.656 . . . . 73.24 111.647 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 p -75.36 -35.76 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 O-C-N 121.957 -0.465 . . . . 75.24 111.169 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.25 -33.76 72.02 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.717 -0.475 . . . . 74.32 109.717 175.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 4' ' ' THR . 38.8 t80 -52.56 -53.22 49.33 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.569 0.748 . . . . 75.13 110.129 168.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.462 HG12 HG22 ' A' ' 60' ' ' ILE . 80.2 mt -57.11 -62.52 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.742 0.817 . . . . 74.34 111.536 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.475 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 57.6 m-80 -61.28 -39.61 91.04 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.725 0.81 . . . . 71.13 112.542 -173.03 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' O ' HG13 ' A' ' 14' ' ' ILE . 69.2 mtm180 -76.82 -34.36 57.9 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 118.365 -0.826 . . . . 75.33 111.457 -175.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.407 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 48.1 m95 -61.62 -39.3 90.77 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 118.923 0.783 . . . . 74.24 110.062 170.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' HB3' ' O ' ' A' ' 9' ' ' ASN . 64.7 tt0 -57.72 -44.62 86.08 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 115.375 -0.83 . . . . 74.45 110.435 172.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 65.9 mmt-85 -62.65 -42.32 99.54 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 122.595 0.358 . . . . 71.21 110.37 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.51 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.9 mt -59.36 -44.48 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.764 0.826 . . . . 72.32 111.128 -176.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.2 67.9 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 112.249 0.462 . . . . 74.02 112.249 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.11 -40.22 86.81 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.722 0.409 . . . . 75.51 110.616 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.494 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 80.3 mt -70.28 -48.69 55.6 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 123.278 0.631 . . . . 73.04 109.809 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.45 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 69.2 p -55.81 -43.47 76.92 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.104 0.877 . . . . 71.24 111.339 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.9 -45.49 85.7 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.155 0.909 . . . . 63.32 110.71 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.9 m -61.6 -60.31 3.88 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.97 0.508 . . . . 75.21 111.034 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.545 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -67.36 -20.8 65.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.596 0.759 . . . . 72.15 112.035 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.87 -55.37 26.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.565 -0.531 . . . . 62.41 109.565 170.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 50.1 mt-10 -66.49 -27.19 67.59 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.337 1.023 . . . . 73.44 111.162 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.581 HD13 ' HB3' ' A' ' 32' ' ' LEU . 85.8 mt -71.35 -49.83 38.37 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.669 0.788 . . . . 71.54 110.274 175.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.544 ' HB3' HD11 ' A' ' 33' ' ' LEU . . . -61.63 -37.15 82.94 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.756 0.822 . . . . 74.43 111.484 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.41 ' HA ' HD11 ' A' ' 81' ' ' LEU . 9.1 tt0 -68.99 -43.38 74.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.571 -1.195 . . . . 74.11 110.488 -179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.429 ' HB2' ' O ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -78.38 -10.24 59.6 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.722 0.809 . . . . 73.41 109.96 178.317 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.63 -2.91 45.79 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 119.262 -0.743 . . . . 71.1 114.79 170.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.91 92.05 0.69 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.444 0.698 . . . . 75.24 110.925 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -75.37 -32.11 60.72 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.112 -0.495 . . . . 74.34 110.286 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.54 -57.22 13.64 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.943 0.897 . . . . 74.53 110.368 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.581 ' HB3' HD13 ' A' ' 24' ' ' LEU . 95.5 mt -69.3 -35.29 75.83 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 114.658 -1.155 . . . . 73.54 111.226 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.545 HD12 ' HB2' ' A' ' 21' ' ' LEU . 52.8 tp -54.22 -58.73 6.28 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.128 0.571 . . . . 74.15 111.085 173.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.516 HD23 HD11 ' A' ' 443' ' ' LEU . 53.4 mt -71.0 -24.15 62.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.059 0.943 . . . . 74.33 111.698 -174.274 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -68.11 -41.64 81.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.821 0.848 . . . . 75.42 109.807 173.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.13 -22.83 35.95 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.254 0.621 . . . . 70.21 111.42 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.91 -55.38 14.65 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.138 1.375 . . . . 71.41 111.411 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.1 m -59.99 -42.09 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.369 -1.287 . . . . 71.5 111.05 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -69.89 -36.47 75.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.531 0.732 . . . . 73.53 111.106 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.45 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 29.7 t80 -67.96 -59.38 3.32 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.747 1.219 . . . . 75.23 111.043 -176.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.25 -37.37 87.25 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.674 0.79 . . . . 73.42 110.697 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.15 -47.53 74.98 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.217 0.607 . . . . 71.52 110.869 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.412 ' HA ' HG23 ' A' ' 46' ' ' THR . 69.5 m -61.08 -40.75 94.9 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 123.876 0.735 . . . . 75.4 111.602 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.45 HG22 HD23 ' A' ' 457' ' ' LEU . 65.7 mt -65.34 -44.83 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.322 0.582 . . . . 72.0 110.686 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.1 -31.54 66.14 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.784 -0.644 . . . . 75.44 111.591 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.412 HG23 ' HA ' ' A' ' 43' ' ' SER . 5.5 t -82.89 -26.26 31.71 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.59 0.356 . . . . 71.51 111.256 -175.141 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.85 -36.72 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 109.656 -0.498 . . . . 71.54 109.656 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mmt -73.96 -16.03 61.09 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.2 0.6 . . . . 75.03 111.978 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.29 -31.34 70.72 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.514 0.726 . . . . 73.31 109.778 170.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -104.35 11.46 34.68 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.287 1.035 . . . . 75.23 109.937 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.587 ' HG3' ' H ' ' A' ' 52' ' ' THR . 6.3 pt20 38.16 -94.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.668 1.987 . . . . 72.22 112.988 -172.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.587 ' H ' ' HG3' ' A' ' 51' ' ' GLN . 92.1 m -150.61 112.25 3.19 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 106.002 -1.851 . . . . 70.24 106.002 174.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.412 ' O ' HG12 ' A' ' 56' ' ' ILE . 81.3 Cg_exo -51.37 153.04 10.71 Favored 'Trans proline' 0 C--N 1.378 2.079 0 C-N-CA 123.204 2.603 . . . . 72.21 113.398 176.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.12 -24.03 28.47 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.262 1.975 . . . . 75.42 111.957 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -94.04 60.75 1.96 Allowed Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.973 -0.558 . . . . 63.52 112.268 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.438 HD11 HG22 ' A' ' 4' ' ' THR . 48.5 mm -108.31 105.97 19.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.108 -1.071 . . . . 74.12 108.108 172.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.7 t -74.89 172.28 12.52 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.5 0.5 . . . . 74.35 110.2 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -26.52 67.05 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.209 0.604 . . . . 73.4 110.914 -171.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.426 ' O ' ' HG3' ' A' ' 63' ' ' MET . 40.5 t -70.85 -51.82 24.11 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.88 0.872 . . . . 72.3 110.327 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.65 ' HA ' ' HE1' ' A' ' 63' ' ' MET . 93.4 mt -61.67 -44.77 99.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 123.994 0.809 . . . . 74.33 110.139 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.04 -41.25 96.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.819 1.248 . . . . 72.33 111.418 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.37 -45.14 77.17 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.425 0.69 . . . . 74.1 111.104 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.65 ' HE1' ' HA ' ' A' ' 60' ' ' ILE . 51.4 mtm -59.67 -58.64 7.71 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.09 0.556 . . . . 74.05 110.501 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.4 m -66.01 -31.2 52.63 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.813 0 CA-C-N 115.453 -0.794 . . . . 74.4 111.824 -175.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.38 82.97 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.294 0.497 . . . . 74.05 110.496 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.14 93.33 Favored Glycine 0 C--N 1.355 1.605 0 CA-C-N 116.069 -0.514 . . . . 72.53 111.992 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.441 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 31.8 m-85 -67.95 -36.74 80.62 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.319 0.648 . . . . 71.45 111.396 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 64' ' ' VAL . 74.5 mt -71.08 -40.94 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.295 -0.631 . . . . 65.52 109.295 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -58.89 -43.94 91.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.359 0.664 . . . . 74.3 110.768 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.84 -51.58 64.05 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.389 -0.823 . . . . 74.04 110.89 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 68' ' ' ILE . 4.7 t -65.47 -31.61 72.78 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 123.713 0.633 . . . . 75.11 110.992 -174.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.34 -44.44 79.06 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.463 0.705 . . . . 75.13 111.116 175.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 25.1 t70 -59.9 -50.19 74.73 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.208 0.943 . . . . 74.11 110.419 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -65.99 -44.86 83.6 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.481 -0.781 . . . . 74.42 110.888 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.629 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.2 tt0 -70.34 -24.74 63.04 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.227 1.011 . . . . 75.45 111.778 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -66.62 -48.99 67.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.453 0.701 . . . . 61.02 109.664 171.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 75.8 mt -66.18 -32.51 73.99 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.498 -0.774 . . . . 64.32 110.522 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.629 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.3 mt -62.83 -49.2 75.86 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.459 0.704 . . . . 73.51 110.304 172.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -52.42 -50.63 62.17 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.916 0.887 . . . . 71.03 111.256 -177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.48 -44.23 59.0 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.618 0.574 . . . . 70.14 113.627 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.41 HD11 ' HA ' ' A' ' 26' ' ' GLN . 6.4 tt -59.85 -56.85 16.67 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.975 0.91 . . . . 74.34 109.686 -178.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.27 -30.1 71.31 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 114.855 -1.066 . . . . 74.11 111.0 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.404 ' HA ' ' HE3' ' A' ' 447' ' ' MET . 8.5 tt0 -62.14 -44.56 96.34 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 118.265 0.484 . . . . 73.43 110.947 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -62.9 -49.9 73.0 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 124.148 0.905 . . . . 72.15 109.875 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.454 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.6 mmp_? -57.53 -54.19 49.64 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 124.123 0.89 . . . . 74.15 111.138 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 443' ' ' LEU . 89.5 mt -61.87 -35.52 78.55 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.108 0.963 . . . . 73.2 112.501 -178.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.44 -44.4 95.86 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.597 0.759 . . . . 71.22 109.726 176.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.426 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.1 mt-10 -68.86 -50.47 49.6 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.888 -1.051 . . . . 73.22 110.691 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 85.1 mt -57.97 -44.37 87.05 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.886 0.874 . . . . 72.13 110.288 -177.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.2 t -61.59 -45.67 93.1 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.017 0.927 . . . . 71.2 111.074 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.3 t -59.48 -39.25 83.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.829 0.852 . . . . 74.54 110.837 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 96.3 mt -73.0 -42.5 63.2 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.507 -0.77 . . . . 74.22 111.695 -177.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 89' ' ' LEU . 91.4 mt -60.79 -38.5 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.091 0.556 . . . . 74.21 109.949 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.52 -21.95 63.14 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 115.841 -0.618 . . . . 62.15 113.937 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.61 -57.19 3.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.732 0.813 . . . . 75.02 111.534 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.4 m -77.29 -39.75 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 111.948 0.351 . . . . 72.41 111.948 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 tt -78.54 112.25 15.42 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.203 -1.036 . . . . 65.4 108.203 -177.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -86.81 87.91 7.56 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.342 -0.984 . . . . 74.52 108.342 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.3 pp0? -71.67 -9.61 58.52 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.031 -0.986 . . . . 75.24 112.255 -173.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.514 ' HA2' HG12 ' A' ' 106' ' ' VAL . . . -165.31 -76.56 0.03 OUTLIER Glycine 0 C--N 1.34 0.796 0 N-CA-C 111.571 -0.612 . . . . 73.15 111.571 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -84.86 -168.93 0.57 Allowed 'Trans proline' 0 C--N 1.377 2.076 0 C-N-CA 123.354 2.702 . . . . 71.2 113.262 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 m 64.97 36.23 7.68 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.732 1.213 . . . . 74.13 111.533 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.9 155.56 23.66 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.718 -1.128 . . . . 62.54 109.451 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.28 -29.8 75.54 Favored Glycine 0 C--N 1.35 1.342 0 O-C-N 123.101 0.251 . . . . 45.24 113.178 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.1 pp -125.21 -173.61 2.86 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.626 1.17 . . . . 74.52 108.246 169.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.514 HG12 ' HA2' ' A' ' 100' ' ' GLY . 59.4 t -98.23 104.95 25.62 Favored Pre-proline 0 CA--C 1.546 0.803 0 N-CA-C 108.409 -0.96 . . . . 63.22 108.409 173.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -89.43 31.27 0.39 Allowed 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 123.384 2.722 . . . . 72.45 112.516 -178.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -73.51 91.29 1.79 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.89 0.876 . . . . 74.24 109.506 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -94.56 151.31 20.09 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 111.215 -0.754 . . . . 61.34 111.215 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.7 m -82.96 63.4 7.03 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 122.029 0.918 . . . . 74.15 109.627 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 159.38 -59.26 0.32 Allowed Glycine 0 C--N 1.346 1.11 0 CA-C-N 114.696 -1.138 . . . . 74.35 111.021 -174.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -166.44 -156.08 9.31 Favored Glycine 0 C--N 1.352 1.447 0 CA-C-O 120.197 -0.224 . . . . 73.22 112.696 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.589 HG21 ' HG3' ' A' ' 114' ' ' GLU . 3.4 mp -112.96 -93.53 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.49 0 C-N-CA 123.723 0.809 . . . . 71.34 109.466 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.589 ' HG3' HG21 ' A' ' 113' ' ' ILE . 0.7 OUTLIER -169.7 165.06 10.1 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.327 1.051 . . . . 74.14 109.661 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 62.5 -145.65 49.68 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 113.85 0.3 . . . . 74.43 113.85 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 21.3 t -83.28 -20.3 34.71 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.225 0.61 . . . . 62.44 111.405 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -31.38 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 N-CA-C 109.093 -0.706 . . . . 73.22 109.093 175.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.467 ' HB2' ' N ' ' A' ' 114' ' ' GLU . 23.3 t70 -62.09 -45.86 91.64 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.287 0.635 . . . . 74.24 110.525 171.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.9 mt-10 -60.56 -50.91 71.63 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.612 1.195 . . . . 75.14 110.765 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 1.9 t -67.32 -34.53 77.56 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 123.626 0.579 . . . . 74.34 110.811 -173.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.43 -49.27 84.99 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 N-CA-C 109.365 -0.606 . . . . 71.14 109.365 169.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.04 70.0 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.174 0.989 . . . . 75.3 112.352 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.453 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 18.3 mmt180 -70.7 -56.61 6.01 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.506 -0.553 . . . . 72.31 109.506 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -69.54 -24.68 63.76 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.309 -0.86 . . . . 72.33 111.545 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -72.87 -41.86 64.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.673 0.789 . . . . 74.04 109.712 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.88 -52.8 62.64 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.705 0.628 . . . . 74.1 110.067 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -62.3 -38.16 88.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.605 0.566 . . . . 75.43 111.109 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -64.52 -60.02 3.63 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 119.157 -0.449 . . . . 72.43 110.168 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 56.8 m -52.61 -43.65 65.49 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.196 0.998 . . . . 74.33 112.386 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -75.22 -46.51 33.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.683 0.793 . . . . 75.44 111.86 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.516 HD11 HD23 ' A' ' 34' ' ' LEU . 9.1 mp -69.71 -23.03 63.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.295 0.238 . . . . 72.43 110.691 175.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.58 -43.96 21.97 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.911 0.884 . . . . 62.11 111.413 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.8 t -67.73 -34.03 76.03 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.448 -0.575 . . . . 74.43 109.448 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.624 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.5 ttt -61.73 -47.81 83.55 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 123.694 0.621 . . . . 75.42 109.633 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.422 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 15.8 ttm -57.13 -51.36 69.62 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.246 1.018 . . . . 72.4 112.605 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 5.4 p -65.26 -39.91 93.25 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.624 0.578 . . . . 64.13 111.401 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -71.44 -38.07 71.38 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 119.055 -0.498 . . . . 73.04 111.271 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 446' ' ' MET . 2.2 pp -76.43 -19.25 58.28 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.197 0.453 . . . . 74.45 110.613 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -75.78 -44.77 39.74 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.931 0.892 . . . . 71.13 109.314 174.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -58.21 -50.35 73.84 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 114.476 -1.238 . . . . 64.44 110.27 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.461 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 48.9 p -62.96 -59.72 4.44 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 115.111 -0.95 . . . . 75.51 110.149 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 93.2 p -51.99 -32.34 33.25 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.568 0.747 . . . . 71.44 112.399 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.433 ' O ' HG21 ' A' ' 458' ' ' THR . 28.6 t -59.91 -65.07 0.74 Allowed 'General case' 0 CA--C 1.549 0.917 0 O-C-N 123.652 0.595 . . . . 74.43 110.886 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.425 ' HH ' HG21 ' A' ' 453' ' ' THR . 3.9 p90 -72.05 -20.22 61.71 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.379 0.511 . . . . 73.1 112.379 -176.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.45 HD23 HG22 ' A' ' 44' ' ' ILE . 64.5 mt -75.51 -39.6 58.26 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.663 0.785 . . . . 73.32 110.881 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.433 HG21 ' O ' ' A' ' 455' ' ' SER . 5.8 t -70.7 -36.68 73.39 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.897 -0.408 . . . . 74.13 109.897 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -63.83 -43.25 96.74 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 123.492 0.495 . . . . 75.11 110.204 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -66.96 -32.84 74.35 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.375 -0.829 . . . . 72.2 110.882 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -67.42 -52.66 36.99 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.896 0.479 . . . . 72.15 110.323 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 53.5 m -59.46 -39.5 83.83 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 124.136 0.898 . . . . 71.03 111.196 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.13 -52.01 11.0 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.873 0.469 . . . . 75.23 111.725 -179.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' MET . . . . . 0.507 ' SD ' HG22 ' A' ' 64' ' ' VAL . 56.1 ttm -61.13 -33.21 73.03 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.926 0.49 . . . . 74.32 111.095 -177.27 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -81.01 -63.74 1.34 Allowed 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.057 -0.519 . . . . 73.3 109.935 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 79.57 1.85 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.52 0.563 . . . . 74.11 112.52 175.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 9.8 t . . . . . 0 C--O 1.251 1.145 0 O-C-N 121.338 -0.851 . . . . 65.52 109.318 167.321 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptt? . . . . . 0 CA--C 1.55 0.957 0 CA-C-O 121.741 0.781 . . . . 75.41 110.611 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.1 p -64.8 -46.18 83.1 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 115.677 -0.692 . . . . 64.22 111.55 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -62.78 -38.97 92.75 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.808 0.843 . . . . 62.12 111.405 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 8' ' ' ILE . 20.9 m -75.76 -35.75 60.06 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.661 -0.7 . . . . 73.41 111.658 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.38 -40.09 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 117.86 0.3 . . . . 64.23 110.817 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.06 -31.22 71.58 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 120.92 0.391 . . . . 74.41 110.133 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.494 ' HE1' HG22 ' A' ' 52' ' ' THR . 37.2 t80 -57.73 -53.35 59.23 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.349 1.06 . . . . 74.5 110.875 170.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 4' ' ' THR . 77.9 mt -52.71 -57.47 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 C-N-CA 123.85 0.86 . . . . 74.32 110.504 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.488 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 80.0 m-20 -59.09 -47.53 84.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 113.435 -1.712 . . . . 74.55 111.972 -171.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.475 ' HE ' HG11 ' A' ' 47' ' ' VAL . 28.2 mtm180 -70.48 -44.23 68.12 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 118.509 -0.758 . . . . 74.2 112.071 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -60.72 -36.36 78.65 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 118.554 0.615 . . . . 72.45 110.924 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.5 tt0 -60.47 -47.6 85.42 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.133 -0.939 . . . . 75.32 109.571 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.488 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 70.8 mmt-85 -63.13 -37.15 86.06 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.498 0.499 . . . . 75.12 111.025 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.7 mt -61.77 -42.84 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.581 0.752 . . . . 72.13 110.145 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -42.67 74.76 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.957 0.503 . . . . 73.33 112.026 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 96.3 mt -65.77 -40.53 92.11 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.307 0.643 . . . . 74.05 111.134 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 81.3 mt -73.44 -46.44 48.45 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.76 0.824 . . . . 71.0 110.351 -176.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.417 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 51.9 p -57.38 -42.32 81.93 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.883 0.74 . . . . 74.11 110.81 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -59.19 -51.25 70.8 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.29 0.994 . . . . 52.42 111.146 173.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.3 m -57.63 -53.29 59.81 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.494 0.718 . . . . 71.13 111.349 -177.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.698 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.0 pp -74.86 -20.53 59.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.545 -0.752 . . . . 74.41 111.691 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.59 -44.03 83.3 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.569 -0.53 . . . . 75.21 109.569 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.9 -47.99 83.0 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.769 -1.105 . . . . 71.35 109.857 173.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.473 HD12 ' HB3' ' A' ' 32' ' ' LEU . 58.1 mt -65.17 -33.8 76.86 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.715 0.806 . . . . 74.0 111.801 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.443 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -68.32 -48.69 64.21 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.57 0.748 . . . . 73.41 111.22 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.48 -27.71 63.43 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.219 -0.446 . . . . 75.03 111.16 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -75.54 -18.88 59.65 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.466 0.707 . . . . 75.22 111.382 175.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.44 5.45 72.22 Favored Glycine 0 C--N 1.345 1.079 0 O-C-N 123.185 0.303 . . . . 71.21 113.281 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 83.74 2.64 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.049 0.54 . . . . 72.42 109.91 172.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -74.43 -34.54 63.25 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.176 -0.92 . . . . 72.3 111.117 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.18 -44.25 97.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.295 0.638 . . . . 72.02 110.351 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' HB3' HD12 ' A' ' 24' ' ' LEU . 83.9 mt -74.07 -34.88 64.18 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.347 -0.842 . . . . 74.12 111.023 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.698 HD11 ' HB2' ' A' ' 21' ' ' LEU . 51.1 tp -56.5 -47.29 79.6 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.666 0.786 . . . . 75.01 110.497 173.299 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.542 HD22 HD11 ' A' ' 443' ' ' LEU . 84.0 mt -75.36 -24.59 57.33 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.087 0.955 . . . . 75.02 111.824 -177.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.61 -38.05 88.34 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.971 -0.381 . . . . 72.53 109.971 172.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 62.2 mm-40 -82.55 -29.16 30.53 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.165 -0.471 . . . . 72.35 110.94 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.09 -61.12 1.58 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 125.259 1.424 . . . . 71.02 111.84 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.5 m -59.05 -45.26 92.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 114.474 -1.239 . . . . 55.04 111.85 -173.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.7 m -68.15 -42.3 80.32 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.578 0.751 . . . . 74.25 111.739 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.5 t80 -67.34 -57.59 6.35 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 124.849 1.26 . . . . 75.23 111.256 -174.529 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.08 -39.28 89.32 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.089 -0.96 . . . . 71.25 110.466 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -55.55 -45.23 77.3 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.437 0.695 . . . . 74.03 111.317 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.8 m -63.06 -40.72 98.53 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.739 0.649 . . . . 73.23 111.171 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.455 HG21 HD22 ' A' ' 457' ' ' LEU . 64.7 mt -63.02 -46.32 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-O 121.652 0.739 . . . . 75.21 110.323 175.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -63.02 -39.61 95.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 114.983 -1.008 . . . . 71.45 111.445 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.41 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 7.0 t -83.79 -24.67 30.93 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.062 0.393 . . . . 74.21 112.062 -172.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.475 HG11 ' HE ' ' A' ' 10' ' ' ARG . 27.2 m -74.86 -34.42 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 CA-C-N 118.551 0.614 . . . . 75.32 110.158 172.385 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.584 ' HE1' ' HG3' ' A' ' 460' ' ' GLN . 25.9 mmt -77.64 -25.89 50.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.996 0.519 . . . . 75.2 111.585 175.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 38.6 tt0 -72.94 -31.15 64.4 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.6 0.76 . . . . 72.15 109.695 170.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.526 ' HD2' ' HG3' ' A' ' 53' ' ' PRO . 1.5 tmtm? -75.48 -2.29 28.14 Favored 'General case' 0 CA--C 1.56 1.34 0 CA-C-N 115.25 -0.886 . . . . 74.32 109.735 173.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 70.42 9.39 6.94 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.706 1.602 . . . . 73.43 111.807 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.494 HG22 ' HE1' ' A' ' 7' ' ' PHE . 63.7 m 56.11 93.84 0.05 OUTLIER Pre-proline 0 CA--C 1.557 1.235 0 C-N-CA 124.346 1.058 . . . . 75.24 109.966 -168.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.526 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 67.7 Cg_exo -50.22 116.47 2.49 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 123.142 2.561 . . . . 73.1 112.251 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -63.63 -11.9 28.6 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.203 2.602 . . . . 73.42 114.448 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.49 58.3 5.03 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 122.775 0.226 . . . . 74.34 113.248 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 53' ' ' PRO . 31.9 mm -114.16 127.5 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.187 0.995 . . . . 72.41 108.837 -177.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 t -75.56 166.91 22.85 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 109.526 -0.546 . . . . 74.42 109.526 173.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -25.61 66.51 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.399 0.68 . . . . 74.52 111.399 -174.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -69.68 -51.84 31.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.677 0.791 . . . . 70.5 110.118 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.651 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 87.6 mt -66.17 -39.59 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.225 -0.898 . . . . 73.13 110.388 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -55.0 -43.37 73.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.712 1.205 . . . . 74.21 110.822 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.76 -45.35 75.17 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.695 0.622 . . . . 54.52 111.101 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.651 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 34.3 mtm -56.76 -57.17 13.6 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.198 0.599 . . . . 72.15 110.828 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.561 HG21 ' SD ' ' A' ' 464' ' ' MET . 34.9 m -68.91 -30.29 46.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-N 115.475 -0.784 . . . . 71.55 111.946 -175.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.8 83.85 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.734 -0.469 . . . . 73.0 109.734 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -63.13 -46.92 92.23 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 115.264 -0.88 . . . . 60.44 111.786 172.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.88 -37.56 87.39 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.587 0.755 . . . . 73.34 112.636 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.516 HG13 ' O ' ' A' ' 64' ' ' VAL . 67.4 mt -69.7 -43.01 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 108.955 -0.757 . . . . 73.41 108.955 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -40.04 84.02 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.689 0.796 . . . . 75.23 110.457 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 28.7 mt-30 -63.17 -51.56 65.89 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.514 0.725 . . . . 73.21 110.156 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.67 -30.19 69.67 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.499 -0.773 . . . . 74.03 110.958 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.8 -43.62 79.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.805 0.842 . . . . 75.21 110.801 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.92 -54.19 49.74 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.207 0.942 . . . . 74.44 110.184 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 7.9 m120 -66.16 -40.88 90.87 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.254 -0.884 . . . . 75.33 111.226 -174.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.473 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.5 tt0 -74.9 -25.11 58.7 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.937 0.895 . . . . 72.12 111.429 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.62 -35.2 65.3 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.617 -0.512 . . . . 75.25 109.617 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.14 -32.56 69.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.749 -0.659 . . . . 73.23 110.48 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -63.76 -46.64 84.35 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.009 0.524 . . . . 74.2 109.865 171.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -53.18 -49.6 66.35 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.139 -0.937 . . . . 73.44 110.925 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.02 -47.7 30.02 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 123.519 0.512 . . . . 71.14 113.591 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.26 -57.57 11.85 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.114 0.966 . . . . 75.33 109.763 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.444 HD21 HD22 ' A' ' 443' ' ' LEU . 78.7 mt -65.52 -26.9 68.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.486 -0.779 . . . . 74.33 111.36 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.435 ' HA ' ' HE3' ' A' ' 447' ' ' MET . 8.4 tt0 -56.98 -49.76 74.75 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 118.476 0.58 . . . . 70.13 110.495 173.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -62.23 -49.52 75.41 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 124.426 1.079 . . . . 73.23 110.055 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.412 ' HE ' ' HA ' ' A' ' 85' ' ' ARG . 1.6 mmp_? -56.14 -52.59 63.78 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.791 0.837 . . . . 72.43 111.415 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.451 HD23 ' HB2' ' A' ' 443' ' ' LEU . 98.1 mt -68.61 -32.35 72.18 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.951 0.9 . . . . 73.12 112.59 -177.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.97 -46.87 82.69 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 121.289 0.566 . . . . 63.4 109.996 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.413 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 41.6 mt-10 -61.56 -51.63 67.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.7 -1.137 . . . . 74.32 110.183 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 77.0 mt -57.97 -43.32 86.41 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.521 0.728 . . . . 75.43 111.157 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.6 t -62.28 -40.91 97.81 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.377 0.671 . . . . 73.02 110.997 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.6 t -65.43 -40.3 93.13 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.183 0.593 . . . . 72.54 110.808 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.2 mt -66.75 -42.07 86.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.837 0.855 . . . . 74.34 111.264 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.1 mt -65.64 -38.12 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.074 0.95 . . . . 70.32 109.707 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.56 -31.08 76.42 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 116.314 -0.403 . . . . 63.13 113.069 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.98 -40.19 24.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.217 0.607 . . . . 63.51 112.024 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.71 -32.02 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 112.813 0.672 . . . . 74.34 112.813 -168.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 99' ' ' GLN . 1.0 OUTLIER -72.67 112.35 8.64 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 108.642 -0.873 . . . . 74.11 108.642 -177.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.09 76.94 5.59 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 108.118 -1.067 . . . . 73.25 108.118 171.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.487 ' HB3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -91.77 11.79 23.51 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.798 0.839 . . . . 74.31 111.776 -173.639 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 159.05 -69.1 0.26 Allowed Glycine 0 C--N 1.337 0.634 0 N-CA-C 110.968 -0.853 . . . . 71.41 110.968 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.78 -165.43 0.33 Allowed 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 122.944 2.429 . . . . 75.13 111.783 170.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.0 m 64.57 27.95 13.31 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.229 1.012 . . . . 74.44 111.408 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -161.28 154.47 21.29 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.099 0.96 . . . . 70.1 109.892 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.56 -33.04 56.82 Favored Glycine 0 C--N 1.348 1.21 0 O-C-N 123.418 0.449 . . . . 72.5 112.021 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.47 -176.5 3.52 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.388 1.075 . . . . 75.32 109.878 172.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.5 t -103.23 99.1 13.52 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 108.937 -0.764 . . . . 74.1 108.937 175.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -91.9 24.2 0.54 Allowed 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 123.772 2.982 . . . . 72.53 112.63 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.1 ttp-105 -70.7 84.41 0.64 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.733 0.813 . . . . 74.12 110.385 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -131.45 93.73 0.3 Allowed Glycine 0 C--N 1.337 0.628 0 N-CA-C 110.283 -1.127 . . . . 53.01 110.283 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 70.2 m -66.83 104.27 1.3 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.709 0.404 . . . . 73.42 110.099 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 115.22 -3.77 22.16 Favored Glycine 0 C--N 1.341 0.859 0 CA-C-N 115.661 -0.699 . . . . 73.52 112.723 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -172.89 106.22 0.23 Allowed Glycine 0 C--N 1.356 1.661 0 CA-C-N 117.183 0.492 . . . . 64.01 113.778 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.51 ' O ' ' HB2' ' A' ' 430' ' ' ASP . 2.9 mp -124.44 100.42 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 107.165 -1.421 . . . . 75.3 107.165 170.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -46.93 115.35 1.04 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.193 0.997 . . . . 73.41 113.655 -169.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 136.16 -172.73 22.25 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 115.739 -0.664 . . . . 52.41 112.039 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 23.3 t -75.51 -13.94 60.39 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.21 0.604 . . . . 75.4 110.706 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -39.69 80.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 123.474 0.71 . . . . 74.24 109.872 171.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.51 ' HB2' ' O ' ' A' ' 113' ' ' ILE . 26.3 t70 -57.09 -40.88 77.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.577 0.751 . . . . 73.52 111.376 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.499 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 50.5 mt-10 -68.03 -52.38 36.11 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 124.032 0.832 . . . . 64.53 111.046 -176.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.2 t -66.59 -34.63 78.31 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.15 0.281 . . . . 65.54 111.008 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.61 -41.31 91.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 C-N-CA 122.584 0.354 . . . . 73.4 110.208 173.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.23 98.78 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.172 0.589 . . . . 71.05 111.808 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.499 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 27.8 mmt180 -68.78 -50.62 48.83 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.935 0.494 . . . . 64.41 110.406 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -71.29 -29.1 64.64 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.356 -0.838 . . . . 64.55 111.852 -177.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -68.35 -43.5 77.33 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 109.421 -0.585 . . . . 75.23 109.421 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.96 -57.72 11.46 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 123.853 0.72 . . . . 60.22 109.932 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.15 -44.71 83.68 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.226 0.611 . . . . 75.32 111.696 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -62.91 -62.58 1.62 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.742 0.417 . . . . 71.32 110.739 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 37.6 m -63.52 -34.01 76.84 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.856 0.862 . . . . 73.2 112.372 -171.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.6 -46.18 66.89 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.388 0.675 . . . . 70.03 111.442 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.542 HD11 HD22 ' A' ' 34' ' ' LEU . 9.8 mp -73.79 -20.28 60.52 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.399 0.28 . . . . 75.42 110.947 175.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -79.77 -43.58 22.25 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.314 1.046 . . . . 74.14 110.909 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.0 t -69.14 -35.55 76.48 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.782 -0.821 . . . . 64.4 108.782 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.598 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -60.22 -44.09 95.45 Favored 'General case' 0 C--N 1.364 1.213 0 O-C-N 123.547 0.529 . . . . 72.04 109.874 172.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.538 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 35.7 ttm -62.36 -53.86 48.85 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.11 0.881 . . . . 74.33 112.371 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 26.0 p -60.06 -38.44 82.83 Favored 'General case' 0 C--O 1.247 0.953 0 O-C-N 123.553 0.533 . . . . 73.33 110.972 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.98 -49.84 64.14 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 115.597 -0.729 . . . . 74.24 110.835 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.598 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.1 pp -70.41 -19.34 63.01 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 123.132 0.27 . . . . 74.03 111.537 -174.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -75.11 -50.47 16.27 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.751 0.821 . . . . 72.04 109.178 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -61.87 -41.81 98.31 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 115.141 -0.936 . . . . 73.22 110.581 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.448 HG23 ' HH ' ' A' ' 456' ' ' TYR . 56.0 p -65.49 -56.64 11.3 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.557 -0.735 . . . . 72.45 109.718 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 88.9 p -53.25 -32.62 49.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.206 0.603 . . . . 64.12 112.096 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.9 t -60.38 -64.22 1.03 Allowed 'General case' 0 CA--C 1.55 0.958 0 O-C-N 123.771 0.669 . . . . 52.03 110.872 174.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.448 ' HH ' HG23 ' A' ' 453' ' ' THR . 5.7 p90 -71.48 -21.36 61.95 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.474 0.546 . . . . 74.14 112.474 -176.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.455 HD22 HG21 ' A' ' 44' ' ' ILE . 65.8 mt -73.79 -39.17 64.33 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.37 0.668 . . . . 73.33 110.755 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 8.0 t -74.36 -33.02 62.98 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 110.381 -0.229 . . . . 74.14 110.381 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.95 -41.56 82.29 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.93 0.492 . . . . 75.25 110.587 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . 0.584 ' HG3' ' HE1' ' A' ' 48' ' ' MET . 16.7 tm0? -70.52 -33.67 71.45 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.324 0.65 . . . . 73.21 109.539 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -67.03 -37.26 83.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.347 0.659 . . . . 74.11 110.438 174.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 76.8 m -61.74 -39.71 92.52 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.462 0.305 . . . . 71.13 110.529 175.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.23 -51.87 22.22 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.344 -0.389 . . . . 72.21 111.423 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' MET . . . . . 0.561 ' SD ' HG21 ' A' ' 64' ' ' VAL . 58.6 ttm -62.05 -33.14 73.83 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.856 0.862 . . . . 74.45 111.254 -176.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -79.83 -65.12 1.04 Allowed 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 108.74 -0.837 . . . . 75.11 108.74 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.4 79.96 1.8 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.119 0.568 . . . . 72.03 111.987 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 64.1 m . . . . . 0 C--O 1.253 1.276 0 C-N-CA 123.466 0.706 . . . . 73.23 111.58 166.101 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.543 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 13.7 ptt? . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.946 0.403 . . . . 74.35 110.04 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 p -54.68 -48.8 71.96 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.737 0.815 . . . . 75.34 112.38 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -68.35 -35.13 77.29 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.338 0.655 . . . . 72.43 111.494 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.543 ' HB ' ' HB2' ' A' ' 1' ' ' MET . 41.4 m -71.57 -37.95 70.99 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.211 0.604 . . . . 75.45 111.685 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 p -79.53 -37.26 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.604 0.362 . . . . 74.43 110.614 -175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.67 -33.69 75.42 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.757 -0.46 . . . . 73.3 109.757 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HE1' HG21 ' A' ' 52' ' ' THR . 53.4 t80 -55.06 -56.59 18.06 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.973 0.909 . . . . 64.04 110.434 169.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.525 HG12 HG22 ' A' ' 60' ' ' ILE . 81.3 mt -55.2 -60.75 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.821 0.848 . . . . 75.14 111.447 -178.006 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.467 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 63.5 m-80 -59.88 -45.33 92.85 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.291 0.994 . . . . 72.41 111.525 -173.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.477 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.3 mtm180 -72.44 -32.88 66.66 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.361 -0.828 . . . . 61.31 112.387 -174.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.427 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 57.2 m95 -64.13 -38.03 89.58 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 118.744 0.702 . . . . 75.13 110.325 171.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -62.81 -40.01 96.08 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.656 0.597 . . . . 75.53 110.157 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 34.1 mmt180 -61.26 -52.37 65.04 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 109.07 -0.715 . . . . 72.4 109.07 175.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.7 mt -52.67 -42.14 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.738 1.215 . . . . 74.15 111.491 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.62 65.06 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.777 0.831 . . . . 51.21 112.178 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.5 mt -74.39 -31.41 62.34 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.119 0.568 . . . . 73.14 111.239 -176.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.459 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.9 mt -71.93 -50.86 25.46 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 118.724 -0.655 . . . . 71.23 109.333 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.522 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 67.8 p -55.36 -44.64 76.19 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 124.248 0.967 . . . . 73.55 111.072 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.12 -48.47 81.49 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 124.283 0.989 . . . . 65.31 111.111 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -65.22 -53.15 48.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.275 0.63 . . . . 64.44 111.767 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.584 ' HA ' HD12 ' A' ' 24' ' ' LEU . 4.3 pp -69.8 -20.99 63.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.944 0.497 . . . . 72.35 111.54 -177.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.443 ' HG ' ' NE2' ' A' ' 26' ' ' GLN . 65.9 tp -64.09 -52.18 60.5 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.033 -0.729 . . . . 71.24 109.033 171.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.78 -37.82 66.5 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.168 0.987 . . . . 75.41 110.735 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.584 HD12 ' HA ' ' A' ' 21' ' ' LEU . 70.6 mt -68.42 -44.38 75.12 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.139 0.976 . . . . 74.11 111.19 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.36 88.34 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.298 0.639 . . . . 73.3 111.36 -179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.443 ' NE2' ' HG ' ' A' ' 22' ' ' LEU . 45.3 mt-30 -68.89 -33.1 73.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.587 0.755 . . . . 73.05 110.571 177.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.586 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -78.04 -14.21 59.59 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.885 0.874 . . . . 74.23 111.611 175.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.52 12.84 79.65 Favored Glycine 0 C--N 1.345 1.037 0 O-C-N 123.146 0.279 . . . . 61.23 113.25 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 25.6 mm-40 -77.5 86.79 3.85 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.972 0.909 . . . . 74.22 109.54 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -76.06 -35.22 59.53 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.234 -0.439 . . . . 75.52 110.929 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.57 -46.82 81.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.688 0.795 . . . . 74.44 109.888 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.524 ' HB3' HD11 ' A' ' 24' ' ' LEU . 93.9 mt -68.97 -35.55 76.88 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 114.877 -1.056 . . . . 74.41 111.092 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.54 HD13 ' HB2' ' A' ' 21' ' ' LEU . 61.8 tp -61.07 -49.54 76.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.751 0.82 . . . . 72.52 110.786 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.508 HD21 HD13 ' A' ' 443' ' ' LEU . 96.0 mt -68.87 -30.31 68.8 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.894 0.877 . . . . 73.54 111.402 -176.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -58.49 -44.73 89.5 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.199 0.523 . . . . 74.42 110.036 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -88.56 -11.58 45.21 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.243 -0.89 . . . . 74.02 112.387 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -54.42 -54.53 39.49 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.347 0.659 . . . . 74.12 111.165 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -62.73 -43.6 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.139 -0.937 . . . . 62.23 111.909 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.0 p -65.74 -45.07 84.0 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.187 0.595 . . . . 54.41 110.297 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.522 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.8 t80 -63.22 -64.68 0.84 Allowed 'General case' 0 C--O 1.242 0.709 0 C-N-CA 124.71 1.204 . . . . 72.42 112.145 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.38 -43.53 88.54 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.192 0.932 . . . . 74.03 111.058 -175.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.61 -41.22 98.85 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-O 119.344 -0.36 . . . . 74.14 110.923 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.9 m -59.07 -40.12 84.22 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.16 0.287 . . . . 71.22 111.482 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.566 HG21 HD21 ' A' ' 457' ' ' LEU . 68.0 mt -62.7 -50.0 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 121.75 0.786 . . . . 73.4 110.412 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.48 -35.77 81.55 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.879 -1.055 . . . . 74.32 111.577 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -83.82 -28.23 28.21 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 112.088 0.403 . . . . 75.41 112.088 -173.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.1 m -70.54 -29.15 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 118.603 0.638 . . . . 75.34 109.603 169.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.3 mmt -83.22 -15.03 52.02 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.118 0.567 . . . . 75.21 112.523 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.78 -31.26 71.03 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.316 -0.624 . . . . 74.44 109.316 165.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -91.99 6.56 45.86 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.973 -1.012 . . . . 75.12 110.747 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 46.32 26.98 0.52 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 126.797 2.039 . . . . 73.52 113.862 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.465 HG21 ' HE1' ' A' ' 7' ' ' PHE . 53.0 m 56.51 95.74 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 123.999 0.92 . . . . 74.3 110.366 -170.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.456 ' O ' HG12 ' A' ' 56' ' ' ILE . 12.1 Cg_endo -54.3 128.86 31.76 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.844 2.363 . . . . 64.43 111.049 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.37 -12.37 25.1 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.343 2.028 . . . . 65.21 113.573 -173.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.71 68.03 3.45 Favored Glycine 0 C--N 1.355 1.622 0 N-CA-C 111.493 -0.643 . . . . 74.14 111.493 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 53' ' ' PRO . 47.5 mm -126.79 119.87 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.59 1.156 . . . . 64.31 108.663 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -74.53 165.1 25.76 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.77 -0.455 . . . . 73.04 109.77 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.31 -20.48 65.62 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.884 0.474 . . . . 74.33 111.187 -173.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.3 t -70.68 -51.16 29.47 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.28 0.632 . . . . 55.12 110.622 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.607 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 83.3 mt -63.49 -42.25 95.56 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 123.347 0.659 . . . . 72.23 109.73 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -56.52 -41.45 76.77 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.848 1.259 . . . . 74.01 111.38 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -63.28 -49.02 75.7 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.375 0.67 . . . . 74.22 110.788 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.607 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 51.5 mtm -57.45 -55.79 30.29 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.88 0.737 . . . . 72.34 110.719 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.576 HG21 ' SD ' ' A' ' 464' ' ' MET . 31.2 m -70.89 -31.29 45.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.533 -0.758 . . . . 74.41 112.228 -172.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.55 -38.75 91.26 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.953 -0.388 . . . . 64.15 109.953 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.81 -41.13 99.91 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-N 115.862 -0.608 . . . . 65.11 111.774 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.481 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.5 m-85 -66.34 -37.3 85.02 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.343 0.657 . . . . 74.14 111.548 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.565 HG13 ' O ' ' A' ' 64' ' ' VAL . 59.2 mt -71.1 -38.55 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 109.332 -0.618 . . . . 71.13 109.332 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -58.08 -46.21 85.85 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.572 0.749 . . . . 73.45 109.413 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.75 -54.98 41.01 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.821 0.701 . . . . 71.21 110.302 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.47 HG23 ' HA ' ' A' ' 68' ' ' ILE . 4.6 t -65.22 -31.29 72.39 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.272 -0.876 . . . . 74.35 111.686 -170.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.31 -48.15 68.44 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.073 0.549 . . . . 73.25 110.409 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.07 -52.99 63.36 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.649 0.78 . . . . 73.14 110.342 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -64.53 -44.32 91.21 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.97 -1.013 . . . . 71.52 111.166 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.527 ' HA ' HD13 ' A' ' 78' ' ' LEU . 43.5 tt0 -70.17 -26.29 63.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.861 0.865 . . . . 73.33 112.11 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -68.82 -42.4 77.31 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.136 0.493 . . . . 72.23 109.783 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.88 -33.19 74.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.296 -0.865 . . . . 75.3 110.785 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.527 HD13 ' HA ' ' A' ' 75' ' ' GLU . 95.7 mt -62.32 -49.35 75.96 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.901 0.48 . . . . 74.45 109.748 172.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.02 -50.67 66.13 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.866 0.866 . . . . 74.13 111.092 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.29 -47.46 63.73 Favored Glycine 0 C--N 1.354 1.542 0 O-C-N 123.538 0.524 . . . . 60.23 113.754 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' ' 26' ' ' GLN . 6.9 tt -64.86 -53.43 46.76 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.849 0.859 . . . . 71.2 110.139 -174.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.31 -30.21 71.04 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 123.432 0.693 . . . . 71.42 110.805 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -61.67 -41.81 98.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.836 0.454 . . . . 71.31 110.519 175.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.11 -45.53 93.05 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.569 -0.741 . . . . 75.33 110.757 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.2 mmp_? -61.01 -46.79 89.33 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.316 0.646 . . . . 74.53 111.126 -178.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.77 -37.4 87.48 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.933 0.893 . . . . 72.44 111.262 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.01 -42.17 97.23 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 123.92 0.762 . . . . 75.43 110.668 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 72.2 mt-10 -70.11 -45.76 66.25 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.069 -0.969 . . . . 73.34 110.696 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.96 -35.83 79.62 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.791 0.436 . . . . 64.52 110.794 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 t -64.93 -43.65 92.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.61 0.764 . . . . 73.04 110.308 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 p -69.14 -33.44 73.45 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 123.244 0.34 . . . . 74.15 111.038 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.47 ' O ' HG21 ' A' ' 96' ' ' VAL . 94.9 mt -63.57 -62.21 1.81 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.833 0.453 . . . . 75.3 109.985 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 69.7 mt -54.97 -46.46 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.585 1.154 . . . . 75.05 111.146 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.83 -37.86 80.34 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 123.997 0.811 . . . . 75.22 113.972 -174.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -85.88 -41.62 14.81 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 122.941 0.496 . . . . 71.5 111.674 -176.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 433' ' ' VAL . 30.4 m -81.67 -35.85 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 N-CA-C 112.181 0.437 . . . . 73.13 112.181 -173.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 99' ' ' GLN . 1.6 tt -75.98 115.14 15.39 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 107.994 -1.113 . . . . 74.45 107.994 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -86.12 92.11 8.63 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.389 -0.967 . . . . 75.44 108.389 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.498 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -114.34 -12.51 12.39 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.822 -1.081 . . . . 71.25 110.672 -178.143 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.87 -67.56 0.01 OUTLIER Glycine 0 C--N 1.343 0.937 0 N-CA-C 111.239 -0.744 . . . . 71.23 111.239 -177.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -87.86 170.41 6.26 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.861 2.374 . . . . 72.35 113.123 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.1 m 66.55 25.81 9.98 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.86 1.264 . . . . 63.55 113.401 168.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.511 ' HB2' ' HG3' ' A' ' 107' ' ' PRO . . . -139.03 152.02 47.26 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.718 0.807 . . . . 72.34 110.265 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.35 -60.8 2.95 Favored Glycine 0 C--N 1.344 0.975 0 O-C-N 123.401 0.438 . . . . 75.54 112.242 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 pp -73.68 169.07 18.07 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.589 0.756 . . . . 74.43 110.738 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.36 106.93 1.17 Allowed Pre-proline 0 C--N 1.357 0.908 0 N-CA-C 108.539 -0.912 . . . . 74.42 108.539 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.511 ' HG3' ' HB2' ' A' ' 103' ' ' ALA . 41.9 Cg_endo -96.51 16.57 0.74 Allowed 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 122.93 2.42 . . . . 73.33 112.796 -173.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.27 86.56 0.41 Allowed 'General case' 0 C--N 1.36 1.036 0 CA-C-O 121.669 0.747 . . . . 73.31 109.02 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.98 86.22 0.14 Allowed Glycine 0 CA--C 1.506 -0.481 0 N-CA-C 109.683 -1.367 . . . . 53.15 109.683 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.0 m -63.1 -16.68 60.77 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.096 0.959 . . . . 75.21 112.279 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.36 -35.21 84.06 Favored Glycine 0 C--N 1.355 1.626 0 O-C-N 123.396 0.435 . . . . 71.12 112.342 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.75 -160.73 26.64 Favored Glycine 0 C--N 1.352 1.468 0 O-C-N 123.83 0.371 . . . . 63.15 112.834 172.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.604 HG23 ' H ' ' A' ' 114' ' ' GLU . 1.1 mp -111.69 -159.25 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 N-CA-C 105.581 -2.007 . . . . 70.02 105.581 176.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.604 ' H ' HG23 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -129.61 157.56 41.74 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 119.144 0.884 . . . . 73.45 109.767 165.067 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 96.46 -168.89 25.67 Favored Glycine 0 C--O 1.242 0.638 0 CA-C-N 115.996 -0.547 . . . . 73.41 111.771 -176.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 32.9 t -69.73 -27.99 65.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.567 0.747 . . . . 65.34 111.204 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 433' ' ' VAL . 0.0 OUTLIER -58.55 -41.03 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.936 0.894 . . . . 74.42 109.761 177.632 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.32 -46.88 84.61 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.425 0.69 . . . . 74.42 111.283 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.5 mt-10 -70.79 -35.51 72.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.332 -0.849 . . . . 73.25 111.749 -173.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.0 t -70.3 -38.66 75.04 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 110.168 -0.308 . . . . 74.44 110.168 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . 0.471 HG23 HG23 ' A' ' 96' ' ' VAL . 76.7 t -59.34 -41.12 83.24 Favored 'Isoleucine or valine' 0 C--N 1.364 1.222 0 O-C-N 123.458 0.474 . . . . 72.11 110.13 171.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.56 79.21 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.786 0.834 . . . . 74.5 111.096 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.464 ' O ' ' HG2' ' A' ' 439' ' ' GLN . 16.3 mmt180 -69.91 -47.03 64.08 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.107 -0.331 . . . . 72.44 110.107 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -61.65 -42.94 99.59 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 123.638 0.586 . . . . 71.41 111.438 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -73.34 -30.63 63.46 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.966 0.792 . . . . 73.34 110.542 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.0 -53.24 58.36 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.389 -0.597 . . . . 64.3 109.389 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 23.9 mm-40 -61.6 -38.01 86.03 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.618 -0.719 . . . . 74.03 110.246 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -65.36 -63.37 1.12 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.956 -0.566 . . . . 62.23 110.081 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 76.9 m -61.05 -35.95 78.3 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.38 1.072 . . . . 71.51 112.288 -172.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.01 -47.95 60.04 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.188 0.595 . . . . 75.22 111.523 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.508 HD13 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -72.06 -19.85 61.76 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 122.5 0.32 . . . . 74.53 111.36 176.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.58 -46.77 24.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.651 1.181 . . . . 74.02 110.39 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.1 t -70.8 -33.88 71.18 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 109.765 -0.457 . . . . 73.21 109.765 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.469 ' HG2' HD21 ' A' ' 450' ' ' LEU . 25.2 ttt -59.49 -44.27 93.11 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 123.344 0.657 . . . . 71.01 110.167 173.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.574 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 26.8 ttm -65.5 -48.16 73.52 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.971 0.909 . . . . 73.24 112.511 -176.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 13.7 p -61.94 -39.26 91.5 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.6 0.562 . . . . 73.42 110.685 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -66.95 -45.18 78.55 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 115.771 -0.649 . . . . 73.4 111.143 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.574 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 3.1 pp -75.02 -17.8 60.45 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 118.052 0.387 . . . . 72.41 111.71 -175.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.66 -45.24 38.18 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.005 -0.739 . . . . 64.4 109.005 173.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -59.02 -47.13 86.31 Favored 'General case' 0 C--O 1.254 1.338 0 C-N-CA 124.131 0.972 . . . . 75.24 110.55 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 456' ' ' TYR . 68.0 p -62.15 -57.17 12.53 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.329 -0.851 . . . . 64.44 110.009 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 63.0 p -50.27 -36.81 33.0 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.002 0.921 . . . . 72.31 112.337 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 42.5 m -56.68 -68.32 0.23 Allowed 'General case' 0 CA--C 1.551 1.012 0 O-C-N 123.988 0.805 . . . . 71.54 111.117 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 4.9 p90 -71.82 -20.39 61.84 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 113.202 0.815 . . . . 75.4 113.202 -174.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.566 HD21 HG21 ' A' ' 44' ' ' ILE . 58.8 mt -71.25 -45.76 62.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.616 0.766 . . . . 71.53 110.486 178.137 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.3 t -70.11 -31.77 69.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 123.487 0.492 . . . . 72.21 110.643 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -64.1 -50.79 66.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.236 0.614 . . . . 73.43 110.769 173.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -61.4 -33.98 74.59 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 114.771 -1.104 . . . . 72.23 110.426 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . 0.409 ' HB2' HG22 ' A' ' 68' ' ' ILE . 38.6 t80 -69.74 -41.41 75.3 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 123.852 0.861 . . . . 73.15 111.056 178.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 23.8 m -60.26 -43.92 95.75 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.493 0.496 . . . . 60.21 110.538 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -70.86 -50.02 39.82 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.909 -0.587 . . . . 73.42 111.435 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' MET . . . . . 0.576 ' SD ' HG21 ' A' ' 64' ' ' VAL . 55.3 ttm -63.16 -32.32 73.68 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.498 0.719 . . . . 71.42 111.65 -175.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -81.21 -60.03 2.43 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.611 -0.722 . . . . 75.41 109.102 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.2 77.0 1.51 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.506 0.67 . . . . 74.42 111.786 177.736 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 CA--C 1.561 1.385 0 C-N-CA 123.201 0.601 . . . . 70.11 111.388 165.446 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptt? . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 121.064 0.459 . . . . 73.55 109.799 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.7 p -58.49 -51.38 70.12 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.262 1.025 . . . . 75.21 111.91 -174.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -58.65 -45.55 89.08 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.408 1.083 . . . . 72.11 111.118 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.504 ' O ' HG13 ' A' ' 8' ' ' ILE . 13.8 m -72.9 -37.44 67.25 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.226 -0.897 . . . . 74.22 111.761 -174.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.2 p -75.14 -41.19 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 117.871 0.305 . . . . 72.52 111.147 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.91 -33.75 76.26 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 110.111 -0.329 . . . . 74.01 110.111 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.454 ' HB3' ' O ' ' A' ' 4' ' ' THR . 40.3 t80 -52.71 -53.84 42.01 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.337 1.055 . . . . 72.02 110.312 168.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.53 HG12 HG23 ' A' ' 60' ' ' ILE . 75.9 mt -55.81 -55.53 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.911 0.884 . . . . 75.52 111.325 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.469 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 55.3 m-80 -56.92 -49.4 75.73 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.039 0.837 . . . . 73.24 111.653 -176.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.577 HH22 ' HG2' ' A' ' 50' ' ' LYS . 35.9 mtm180 -65.96 -42.8 89.46 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.752 0.657 . . . . 73.33 111.7 -174.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -63.44 -37.12 86.06 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.931 0.332 . . . . 75.3 111.148 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.14 -43.39 95.75 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.476 0.485 . . . . 71.41 109.968 173.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.469 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 34.3 mmt-85 -58.84 -52.92 63.66 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 109.541 -0.54 . . . . 74.23 109.541 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.0 mt -55.05 -39.33 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.315 1.046 . . . . 74.34 111.308 -176.09 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.55 63.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.414 0.685 . . . . 75.14 112.377 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.47 -38.73 84.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.282 0.633 . . . . 71.21 110.484 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.8 mt -69.72 -49.5 52.64 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 115.232 -0.895 . . . . 75.44 109.605 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.413 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 77.2 p -55.02 -44.04 74.21 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.249 0.62 . . . . 71.04 111.292 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.81 -52.54 62.77 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 123.974 0.796 . . . . 71.43 111.205 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -62.69 -46.05 89.96 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.405 0.441 . . . . 71.12 112.116 -173.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.536 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.4 pp -73.85 -26.15 60.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.623 0.369 . . . . 73.53 111.874 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.41 -44.38 96.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.025 0.441 . . . . 75.3 110.111 173.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.65 -42.44 98.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.937 -1.029 . . . . 75.31 110.221 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 21' ' ' LEU . 72.6 mt -64.27 -35.53 81.15 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.416 0.687 . . . . 75.12 111.122 177.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.493 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -69.76 -49.83 49.26 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.69 0.796 . . . . 73.42 111.531 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -70.97 -26.45 63.17 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.128 0.571 . . . . 71.41 111.115 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -73.84 -26.61 60.68 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.901 0.48 . . . . 74.22 111.104 173.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.47 3.26 55.4 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 123.356 0.41 . . . . 63.32 113.215 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.01 81.43 1.71 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.708 0.803 . . . . 73.34 109.661 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -71.93 -34.81 69.34 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.442 -0.799 . . . . 73.42 110.698 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.68 -43.01 99.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.938 0.895 . . . . 73.12 110.38 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.6 mt -78.66 -31.2 46.65 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.845 -1.07 . . . . 74.42 110.73 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.536 HD11 ' HB2' ' A' ' 21' ' ' LEU . 47.6 tp -60.5 -46.37 90.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.421 0.689 . . . . 74.05 110.335 172.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.55 HD21 HD11 ' A' ' 443' ' ' LEU . 85.8 mt -74.35 -26.71 60.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.229 1.012 . . . . 74.24 110.787 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -61.02 -40.48 93.76 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.0 -0.545 . . . . 65.44 109.796 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -85.62 -22.94 27.74 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.511 -0.768 . . . . 73.13 111.83 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -51.88 -48.93 63.85 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.315 1.046 . . . . 71.45 111.213 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -56.87 -52.56 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 124.176 0.923 . . . . 75.14 111.386 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.9 p -69.69 -39.08 77.16 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.656 0.782 . . . . 71.41 111.326 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.413 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.9 t80 -65.7 -62.96 1.22 Allowed 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.442 1.097 . . . . 73.04 111.775 -174.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.0 -34.99 79.25 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.687 -0.688 . . . . 61.13 110.569 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.53 -43.78 89.35 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.688 0.395 . . . . 64.34 111.169 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.496 ' HA ' HG23 ' A' ' 46' ' ' THR . 73.1 m -66.29 -36.53 83.21 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.481 0.488 . . . . 73.13 111.684 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.579 HG21 HD21 ' A' ' 457' ' ' LEU . 62.9 mt -66.27 -44.83 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 121.944 0.878 . . . . 64.42 110.231 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.29 -36.04 82.82 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.884 -1.053 . . . . 73.21 111.196 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.496 HG23 ' HA ' ' A' ' 43' ' ' SER . 14.5 t -81.83 -31.2 31.8 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 119.067 -0.492 . . . . 73.24 112.119 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.0 m -67.01 -39.16 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 118.895 0.771 . . . . 74.44 110.288 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.423 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 25.1 mmt -79.78 -25.45 40.96 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.289 -0.414 . . . . 71.22 111.985 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.95 -30.0 63.52 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.277 -0.638 . . . . 75.51 109.277 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.577 ' HG2' HH22 ' A' ' 10' ' ' ARG . 50.0 tptt -73.88 -0.23 15.37 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.978 0.911 . . . . 74.14 110.76 171.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 72.53 10.51 5.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.832 1.653 . . . . 73.03 111.245 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.419 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 58.2 m 51.99 94.12 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.886 1.274 . . . . 70.41 110.521 -170.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 52' ' ' THR . 10.1 Cg_endo -50.28 120.32 6.1 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 123.232 2.622 . . . . 74.43 111.926 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -80.92 -4.21 12.62 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 123.124 2.549 . . . . 64.41 114.772 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.99 62.84 4.58 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 112.184 -0.366 . . . . 71.25 112.184 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.4 mm -120.47 123.25 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.546 1.139 . . . . 74.05 109.737 -169.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -76.12 167.52 21.71 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.708 0.403 . . . . 64.22 110.069 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.37 -28.15 68.43 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.111 0.564 . . . . 74.25 111.853 -171.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.7 m -69.94 -48.22 59.27 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.235 0.614 . . . . 71.42 110.685 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.589 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 99.1 mt -68.9 -40.48 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 114.958 -1.019 . . . . 71.04 110.523 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.81 -36.1 80.15 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.537 1.135 . . . . 73.52 110.846 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.2 -39.52 68.54 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.604 -0.725 . . . . 52.22 110.64 177.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.589 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 53.3 mtm -57.72 -54.48 46.37 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.156 0.503 . . . . 75.14 110.241 176.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.596 HG21 ' SD ' ' A' ' 464' ' ' MET . 33.0 m -74.8 -25.41 18.8 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 CA-C-N 115.143 -0.935 . . . . 62.51 112.104 -173.375 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.85 85.41 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.56 -0.533 . . . . 61.0 109.56 170.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.7 -42.49 97.2 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 115.711 -0.677 . . . . 73.53 112.312 171.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.79 -37.59 82.24 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.163 0.585 . . . . 73.13 111.921 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.527 ' HA ' HG22 ' A' ' 71' ' ' THR . 73.5 mt -72.08 -38.89 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.898 -0.779 . . . . 73.11 108.898 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.15 -38.45 79.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.981 0.512 . . . . 72.32 110.755 174.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -63.5 -53.25 55.0 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 123.407 0.442 . . . . 71.11 110.641 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.527 HG22 ' HA ' ' A' ' 68' ' ' ILE . 14.5 t -65.91 -30.91 71.58 Favored 'General case' 0 C--O 1.211 -0.966 0 O-C-N 123.589 0.555 . . . . 75.2 111.084 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.68 -45.93 73.78 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.806 0.442 . . . . 74.44 111.272 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.6 -52.24 66.0 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.823 0.702 . . . . 74.51 110.151 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -67.33 -41.67 84.87 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.304 -0.862 . . . . 63.21 111.287 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.462 ' HA ' HD11 ' A' ' 78' ' ' LEU . 34.2 tt0 -77.88 -20.91 52.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.688 0.795 . . . . 55.25 111.478 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -68.9 -40.38 79.16 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.382 0.673 . . . . 63.45 109.794 168.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.8 -32.95 65.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.381 -0.827 . . . . 71.14 110.715 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.462 HD11 ' HA ' ' A' ' 75' ' ' GLU . 90.6 mt -65.98 -38.43 88.53 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.998 0.519 . . . . 75.21 109.889 171.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -59.32 -58.22 9.57 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 116.091 -0.504 . . . . 75.22 110.069 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.411 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -61.49 -48.62 83.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 123.977 0.798 . . . . 73.31 113.201 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.68 -56.81 11.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.672 0.789 . . . . 74.14 110.534 -173.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.52 -29.43 69.51 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.418 0.449 . . . . 73.33 111.445 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.24 -41.17 94.61 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 122.776 0.431 . . . . 73.23 110.941 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 28.5 mt-30 -64.28 -44.49 91.52 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.684 -0.689 . . . . 75.21 110.028 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.469 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 2.4 mmp_? -58.84 -47.18 85.76 Favored 'General case' 0 C--O 1.208 -1.107 0 O-C-N 123.971 0.794 . . . . 74.44 110.428 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.85 -35.93 82.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.51 0.724 . . . . 75.41 111.666 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.07 -46.28 91.31 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-O 121.385 0.612 . . . . 72.52 110.397 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.6 mt-10 -65.83 -54.06 31.75 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.723 -1.126 . . . . 74.44 110.527 178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 90.3 mt -56.01 -43.05 77.36 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.3 1.04 . . . . 75.03 110.794 -177.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -59.9 -47.07 87.26 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.46 0.704 . . . . 75.54 110.86 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 21.3 t -63.5 -42.58 98.5 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.845 0.715 . . . . 74.3 110.667 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 95.9 mt -61.26 -47.96 83.63 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.032 0.933 . . . . 63.3 111.467 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.6 -41.01 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.133 0.973 . . . . 74.12 109.805 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.18 -34.31 88.69 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-N 115.757 -0.656 . . . . 73.21 113.29 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 91' ' ' SER . 12.6 mm100 -78.88 -35.35 43.82 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.113 0.565 . . . . 75.35 111.728 -176.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.8 -40.64 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 N-CA-C 112.306 0.484 . . . . 72.31 112.306 -173.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tt -76.44 112.09 12.59 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 107.048 -1.464 . . . . 73.43 107.048 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -74.01 99.66 3.36 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.057 -1.09 . . . . 75.41 108.057 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -6.45 59.48 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.858 0.463 . . . . 74.32 111.809 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.8 -74.86 0.07 OUTLIER Glycine 0 C--N 1.34 0.768 0 N-CA-C 110.431 -1.068 . . . . 73.25 110.431 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.96 154.29 62.76 Favored 'Trans proline' 0 C--N 1.371 1.713 0 C-N-CA 123.166 2.577 . . . . 71.35 112.861 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 m 67.89 15.12 9.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.394 1.478 . . . . 72.15 112.485 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.5 131.72 55.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.696 0.799 . . . . 73.13 109.574 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.89 -27.31 73.31 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.241 0.338 . . . . 75.43 113.638 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pp -126.24 175.12 8.03 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.008 0.923 . . . . 75.02 109.661 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.7 t -66.07 112.81 9.94 Favored Pre-proline 0 CA--C 1.547 0.843 0 N-CA-C 108.508 -0.923 . . . . 65.33 108.508 172.152 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -89.31 38.14 0.41 Allowed 'Trans proline' 0 C--N 1.365 1.402 0 C-N-CA 123.227 2.618 . . . . 72.33 112.627 -171.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -80.12 75.12 6.9 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.162 -0.681 . . . . 75.43 109.162 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -127.05 51.28 0.85 Allowed Glycine 0 C--N 1.343 0.923 0 N-CA-C 110.831 -0.907 . . . . 64.32 110.831 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.8 m -71.54 98.54 1.88 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.825 0.85 . . . . 71.13 110.37 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 145.1 -19.92 1.93 Allowed Glycine 0 C--N 1.339 0.704 0 CA-C-N 115.651 -0.704 . . . . 62.42 111.711 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.06 125.1 0.77 Allowed Glycine 0 C--N 1.351 1.374 0 N-CA-C 112.374 -0.291 . . . . 52.22 112.374 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.34 169.0 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 N-CA-C 107.255 -1.387 . . . . 64.32 107.255 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.99 134.54 41.69 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.307 -0.627 . . . . 74.32 109.307 172.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.86 -177.08 20.29 Favored Glycine 0 N--CA 1.472 1.05 0 CA-C-N 116.207 -0.451 . . . . 74.33 112.918 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 32.9 t -68.26 -22.91 64.73 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.304 1.042 . . . . 71.33 111.698 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -38.24 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.777 0.831 . . . . 74.1 110.568 174.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.17 -48.82 80.18 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.798 0.839 . . . . 74.25 111.162 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.471 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.2 mt-10 -63.16 -52.6 61.79 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 124.07 0.856 . . . . 74.52 111.247 -176.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.1 t -65.2 -42.23 93.74 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 123.303 0.377 . . . . 74.54 111.338 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 49.2 t -60.19 -43.35 93.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 109.643 -0.503 . . . . 72.13 109.643 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -60.81 -33.57 73.2 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.669 0.605 . . . . 73.5 112.133 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.471 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 21.3 mmt180 -73.68 -54.43 8.12 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.615 0.366 . . . . 73.31 110.499 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -66.02 -32.36 73.78 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.914 -0.584 . . . . 75.02 111.667 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -78.57 -37.88 41.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.866 0.866 . . . . 73.34 110.844 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.89 52.58 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.56 -0.533 . . . . 75.33 109.56 173.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -62.83 -33.63 75.63 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.927 -0.578 . . . . 74.51 111.246 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.09 -61.13 2.69 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 110.062 -0.347 . . . . 73.33 110.062 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 46.2 m -61.19 -35.73 77.97 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.929 0.892 . . . . 74.24 112.4 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.09 -47.84 55.9 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.585 0.754 . . . . 75.34 111.474 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.55 HD11 HD21 ' A' ' 34' ' ' LEU . 10.9 mp -70.85 -19.29 62.66 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.648 0.379 . . . . 64.5 111.042 174.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.22 -44.71 17.39 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.68 0.792 . . . . 72.22 111.253 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.9 t -66.72 -35.35 79.9 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.898 -0.779 . . . . 71.24 108.898 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.59 ' HG2' HD21 ' A' ' 450' ' ' LEU . 26.2 ttt -62.54 -42.44 99.53 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 123.5 0.5 . . . . 72.51 110.285 172.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -53.52 57.19 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.195 0.998 . . . . 75.33 112.068 -177.167 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 23.7 p -65.29 -40.95 94.52 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 115.372 -0.831 . . . . 53.12 110.986 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -66.48 -44.54 82.4 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.607 -0.724 . . . . 75.42 111.147 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.59 HD21 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -72.4 -25.82 61.63 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.692 0.282 . . . . 74.52 110.604 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -67.95 -50.53 55.37 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 123.601 0.761 . . . . 75.05 109.72 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.49 -43.62 96.72 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.207 -0.906 . . . . 63.32 110.954 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.482 ' HB ' HG23 ' A' ' 44' ' ' ILE . 37.3 p -61.12 -62.86 1.54 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 116.022 -0.535 . . . . 73.12 110.0 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 81.1 p -52.87 -32.25 43.86 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.665 0.786 . . . . 64.24 112.225 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.3 t -60.1 -59.7 5.0 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 123.592 0.557 . . . . 74.3 111.234 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 2.6 p90 -73.51 -20.91 60.54 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 112.312 0.486 . . . . 74.5 112.312 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.579 HD21 HG21 ' A' ' 44' ' ' ILE . 73.9 mt -68.59 -41.25 79.89 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.093 0.557 . . . . 75.04 110.578 175.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.5 t -77.3 -28.0 53.14 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.014 0.196 . . . . 73.13 111.313 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.11 -53.22 60.36 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.647 0.737 . . . . 73.51 109.659 168.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.86 -34.56 77.62 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 114.122 -1.399 . . . . 70.21 111.074 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.41 -50.85 57.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.303 0.641 . . . . 74.21 111.062 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 25.6 m -62.7 -33.97 76.2 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 123.736 0.647 . . . . 73.2 110.664 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -70.59 -47.25 61.1 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.26 0.624 . . . . 64.04 111.518 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' MET . . . . . 0.596 ' SD ' HG21 ' A' ' 64' ' ' VAL . 56.2 ttm -70.63 -27.73 64.28 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.035 0.934 . . . . 74.31 111.179 -174.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -85.07 -60.81 1.93 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 108.512 -0.921 . . . . 74.24 108.512 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.21 78.53 1.65 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.828 0.451 . . . . 73.32 111.783 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.253 1.27 0 C-N-CA 123.58 0.752 . . . . 74.32 111.401 163.467 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.818 -0.438 . . . . 72.44 109.818 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.5 p -62.89 -49.92 72.93 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.27 1.028 . . . . 72.24 112.402 -171.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -65.43 -38.47 89.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.558 0.743 . . . . 74.31 111.283 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.481 ' O ' HG13 ' A' ' 8' ' ' ILE . 46.3 m -73.68 -37.26 65.28 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.219 -0.9 . . . . 74.3 111.49 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.8 -41.32 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 117.928 0.331 . . . . 74.13 111.007 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.78 -34.62 78.77 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 109.987 -0.375 . . . . 74.11 109.987 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.424 ' HB3' ' O ' ' A' ' 4' ' ' THR . 69.9 t80 -57.2 -55.16 38.31 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.912 0.885 . . . . 72.11 110.955 172.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 4' ' ' THR . 82.0 mt -54.94 -60.33 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 124.236 1.014 . . . . 63.41 111.185 -177.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.446 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 38.7 m-80 -60.2 -49.24 78.41 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.774 -1.103 . . . . 74.1 111.846 -174.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' O ' HG13 ' A' ' 14' ' ' ILE . 84.1 mtm180 -68.0 -35.75 78.85 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 118.451 -0.785 . . . . 75.43 112.353 -173.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -63.13 -40.42 97.55 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.582 0.628 . . . . 75.4 110.898 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.83 -41.96 92.52 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.589 0.556 . . . . 74.24 110.501 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 23.3 mmt180 -61.98 -48.55 79.85 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.703 0.627 . . . . 75.54 110.334 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.4 mt -55.0 -42.19 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 124.468 1.107 . . . . 74.34 110.759 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.481 ' HB3' ' NE2' ' A' ' 70' ' ' GLN . . . -69.15 -42.16 76.32 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.983 0.913 . . . . 71.42 112.131 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.52 -39.89 85.08 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.235 0.614 . . . . 74.4 110.373 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.422 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.3 mt -66.04 -50.5 63.97 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.866 0.866 . . . . 70.33 109.774 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 52.7 p -56.41 -44.82 80.7 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 124.579 1.174 . . . . 55.53 111.186 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -62.55 -51.06 68.86 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.98 0.8 . . . . 72.32 111.243 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.1 m -59.31 -51.61 69.21 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.79 0.682 . . . . 73.45 111.595 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.523 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.5 pp -74.69 -19.59 60.2 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.067 0.547 . . . . 73.35 111.876 -177.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -63.52 -47.18 82.72 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.295 -0.631 . . . . 73.04 109.295 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.58 -34.58 78.57 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.07 -0.968 . . . . 74.12 110.534 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.97 -44.43 69.49 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.731 0.812 . . . . 75.14 111.418 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.501 ' HB3' HD13 ' A' ' 33' ' ' LEU . . . -61.31 -41.92 97.8 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.681 0.792 . . . . 75.55 110.237 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.87 -33.77 74.33 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.752 -1.113 . . . . 74.5 111.076 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.614 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -79.47 -8.51 59.18 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.714 0.806 . . . . 73.11 111.333 178.452 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.83 9.54 86.19 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 123.181 0.3 . . . . 75.3 112.904 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.614 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 10.9 mm-40 -77.0 80.71 3.53 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.296 -1.002 . . . . 45.32 108.296 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -72.22 -40.3 67.9 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.213 0.605 . . . . 64.53 111.094 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.46 -41.16 98.62 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.649 0.593 . . . . 64.5 110.391 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.59 -33.34 62.62 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.39 -0.823 . . . . 71.33 111.064 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD11 ' HB2' ' A' ' 21' ' ' LEU . 49.9 tp -60.59 -50.59 72.91 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.85 0.86 . . . . 74.34 110.126 174.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.431 HD22 HD12 ' A' ' 443' ' ' LEU . 78.7 mt -72.38 -26.34 61.85 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.429 1.092 . . . . 73.21 111.369 -176.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -61.01 -40.97 95.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.085 0.954 . . . . 73.44 109.986 172.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -88.94 -23.53 22.66 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.657 -0.702 . . . . 74.44 111.69 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -49.48 -57.89 6.19 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.109 1.364 . . . . 73.25 111.487 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.0 m -57.45 -45.18 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 124.708 1.255 . . . . 75.04 110.751 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.5 m -60.64 -45.83 92.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.982 0.913 . . . . 72.42 110.34 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.6 t80 -69.93 -64.43 0.89 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.13 1.372 . . . . 74.31 111.962 -171.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.85 -39.44 81.29 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.123 0.89 . . . . 74.4 111.02 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -65.62 -40.07 92.17 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.593 0.357 . . . . 72.33 111.316 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.2 m -60.63 -39.8 89.61 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.524 0.515 . . . . 74.11 111.394 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.642 HG21 HD23 ' A' ' 457' ' ' LEU . 69.6 mt -63.4 -48.91 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 121.163 0.506 . . . . 73.1 110.406 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.13 -42.3 90.28 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.079 -0.964 . . . . 73.11 111.515 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 t -77.45 -35.58 53.77 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 112.21 0.448 . . . . 73.45 112.21 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.96 -30.03 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 CA-C-N 118.446 0.566 . . . . 74.23 110.545 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.505 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 23.0 mmt -85.61 -19.75 30.54 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.165 0.586 . . . . 64.23 112.117 176.169 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -72.98 -28.01 62.14 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.086 -0.709 . . . . 74.25 109.086 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -68.71 -15.47 63.53 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 114.739 -1.119 . . . . 74.23 110.844 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 70.78 9.35 6.81 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.285 1.434 . . . . 74.12 111.143 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 83.3 m 65.07 109.32 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.41 0 C-N-CA 124.601 1.16 . . . . 73.24 110.648 -172.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HG2' HD13 ' A' ' 56' ' ' ILE . 19.7 Cg_endo -56.22 132.63 53.07 Favored 'Trans proline' 0 C--N 1.381 2.28 0 C-N-CA 122.877 2.385 . . . . 72.01 112.458 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_exo -60.77 -27.32 84.62 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 123.117 2.545 . . . . 74.23 114.202 179.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -85.71 60.54 4.66 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.462 -0.336 . . . . 55.32 113.439 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.505 HD13 ' HG2' ' A' ' 53' ' ' PRO . 39.8 mm -114.38 113.59 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.825 0.85 . . . . 71.13 108.854 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.3 t -74.27 169.85 16.78 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.971 0.508 . . . . 73.54 110.094 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -66.27 -25.82 67.05 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.141 0.576 . . . . 70.42 111.652 -171.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -75.65 -44.69 41.21 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.365 0.666 . . . . 74.14 110.887 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.58 ' HA ' ' HE1' ' A' ' 63' ' ' MET . 95.6 mt -67.31 -43.9 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.584 0.754 . . . . 75.11 109.641 176.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -54.64 -40.29 68.85 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.163 1.385 . . . . 73.11 111.237 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.38 -48.12 68.35 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.8 0.84 . . . . 73.44 110.987 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.58 ' HE1' ' HA ' ' A' ' 60' ' ' ILE . 59.1 mtm -58.36 -53.59 56.54 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.587 0.554 . . . . 73.51 110.32 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.511 ' O ' HG13 ' A' ' 68' ' ' ILE . 20.4 m -71.3 -25.89 25.96 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 CA-C-N 115.029 -0.987 . . . . 73.32 111.742 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.27 87.05 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.65 0.659 . . . . 75.22 109.778 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.65 -44.36 97.64 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 123.911 0.757 . . . . 72.25 111.737 170.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -67.52 -32.28 72.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.722 0.809 . . . . 73.45 112.257 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.559 ' HA ' HG23 ' A' ' 71' ' ' THR . 86.8 mt -75.43 -37.34 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 108.909 -0.775 . . . . 74.13 108.909 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -64.24 -33.01 74.82 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.375 0.27 . . . . 73.41 110.443 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.481 ' NE2' ' HB3' ' A' ' 15' ' ' ALA . 28.3 mt-30 -69.08 -51.91 33.87 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.092 0.557 . . . . 71.23 110.768 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.559 HG23 ' HA ' ' A' ' 68' ' ' ILE . 14.0 t -64.01 -35.35 80.43 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.441 0.463 . . . . 74.44 110.775 -175.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.72 -44.24 74.28 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.443 0.697 . . . . 52.42 111.421 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.76 -54.77 42.42 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.933 0.77 . . . . 72.23 110.56 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 9.4 m120 -68.14 -38.59 82.34 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.239 -0.892 . . . . 70.15 110.847 -173.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.528 ' HA ' HD11 ' A' ' 78' ' ' LEU . 36.1 tt0 -75.66 -25.15 56.54 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.702 0.801 . . . . 74.41 111.869 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -69.79 -40.62 75.89 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.348 -0.612 . . . . 75.32 109.348 170.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.42 -33.33 72.82 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.665 -0.698 . . . . 73.51 110.472 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.528 HD11 ' HA ' ' A' ' 75' ' ' GLU . 92.3 mt -67.0 -37.58 84.46 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.563 0.745 . . . . 74.24 110.16 172.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -59.25 -54.02 51.6 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 123.704 0.628 . . . . 75.13 109.968 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.31 -47.77 84.89 Favored Glycine 0 C--N 1.348 1.22 0 O-C-N 123.829 0.706 . . . . 62.2 112.784 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.2 -59.9 4.6 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.482 1.113 . . . . 74.2 110.469 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.57 -28.12 67.51 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 123.482 0.713 . . . . 74.12 111.29 -175.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.72 -44.89 96.05 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 118.318 0.508 . . . . 74.35 110.523 174.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -58.96 -46.41 88.11 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.884 0.74 . . . . 74.12 110.386 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.4 mmp_? -60.04 -50.0 75.43 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 124.328 1.017 . . . . 71.52 110.895 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.53 -35.04 78.18 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.296 1.039 . . . . 75.22 111.852 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.27 -48.05 81.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.869 0.731 . . . . 71.43 109.559 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.49 -45.57 79.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.83 0.852 . . . . 72.53 111.372 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 93' ' ' ILE . 97.5 mt -60.32 -52.28 65.94 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.914 0.759 . . . . 70.52 109.883 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.0 t -59.2 -39.13 81.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.118 0.967 . . . . 74.32 111.722 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.5 t -63.83 -33.26 75.28 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.648 0.592 . . . . 72.2 110.814 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.9 mt -84.56 -30.88 24.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.939 0.895 . . . . 73.51 111.898 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 89' ' ' LEU . 96.9 mt -66.94 -52.58 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.402 0.681 . . . . 73.12 110.159 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.8 -25.4 58.95 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.843 0.714 . . . . 75.14 113.946 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -70.37 -53.44 16.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.158 0.583 . . . . 65.45 110.516 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.513 HG21 HG21 ' A' ' 433' ' ' VAL . 26.9 m -83.55 -21.86 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.74 0.816 . . . . 75.04 112.495 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.8 tt -96.21 112.24 24.04 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.369 -1.345 . . . . 73.23 107.369 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.607 ' HB3' ' HB1' ' A' ' 103' ' ' ALA . 67.5 m-85 -96.58 88.38 4.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.632 0.773 . . . . 75.3 109.261 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.61 2.36 41.85 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 115.846 -0.615 . . . . 74.42 111.93 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.12 -74.54 0.07 OUTLIER Glycine 0 C--N 1.348 1.225 0 CA-C-O 119.63 -0.539 . . . . 74.22 112.097 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.39 152.43 66.07 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.714 2.276 . . . . 74.03 112.017 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.8 m 63.12 26.03 15.16 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.509 1.124 . . . . 74.51 111.596 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.607 ' HB1' ' HB3' ' A' ' 98' ' ' PHE . . . -122.5 117.98 27.21 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 124.292 1.037 . . . . 62.25 110.042 -176.217 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.45 -64.24 2.93 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 110.623 -0.991 . . . . 63.03 110.623 171.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 pp -80.79 153.41 27.75 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.135 -1.061 . . . . 73.51 108.135 163.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.3 t -100.83 103.96 28.28 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 109.267 -0.642 . . . . 74.24 109.267 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -96.04 36.07 0.14 Allowed 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 123.489 2.792 . . . . 74.12 112.26 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -72.4 -15.61 61.84 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.596 0.758 . . . . 73.11 110.917 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.07 107.94 1.12 Allowed Glycine 0 C--N 1.355 1.614 0 N-CA-C 111.559 -0.616 . . . . 74.22 111.559 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.3 m -58.35 99.98 0.05 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.537 1.135 . . . . 75.22 112.019 -172.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 169.97 -89.88 0.09 OUTLIER Glycine 0 C--N 1.344 1.02 0 CA-C-N 115.774 -0.648 . . . . 71.43 111.709 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -141.73 144.14 13.94 Favored Glycine 0 C--N 1.349 1.272 0 C-N-CA 122.837 0.256 . . . . 54.44 112.879 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.434 HG22 HD12 ' A' ' 429' ' ' ILE . 3.8 mp -97.17 169.52 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 C-N-CA 124.808 1.243 . . . . 74.1 108.186 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.56 137.16 32.57 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.612 0.765 . . . . 74.55 110.321 170.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.04 -172.15 25.29 Favored Glycine 0 N--CA 1.483 1.803 0 N-CA-C 113.907 0.323 . . . . 65.01 113.907 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 32.4 t -70.71 -22.28 62.46 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.883 0.873 . . . . 73.35 111.626 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.434 HD12 HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -58.3 -36.61 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.373 1.069 . . . . 74.13 109.939 174.84 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.02 -44.89 83.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.147 0.579 . . . . 71.5 111.196 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.49 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.6 mt-10 -63.91 -56.34 15.99 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.096 0.873 . . . . 73.0 110.409 -176.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.9 t -60.82 -40.42 92.67 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 123.698 0.623 . . . . 72.34 111.604 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . 0.513 HG21 HG21 ' A' ' 96' ' ' VAL . 55.7 t -60.39 -49.78 82.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 N-CA-C 109.029 -0.73 . . . . 61.42 109.029 174.152 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.91 -29.07 69.99 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.893 0.877 . . . . 61.23 112.346 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.1 mmt180 -68.39 -57.08 6.43 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 109.486 -0.561 . . . . 73.04 109.486 178.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -70.1 -25.57 63.57 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.602 -0.726 . . . . 75.31 111.627 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -72.12 -45.78 59.22 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.057 0.943 . . . . 74.05 109.714 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.55 -52.92 59.01 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 123.802 0.689 . . . . 51.24 109.7 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -55.47 -41.33 72.81 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.061 0.851 . . . . 64.11 111.459 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.44 -63.89 1.05 Allowed 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 118.899 -0.572 . . . . 74.4 109.935 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 44.1 m -55.35 -34.71 64.51 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.387 1.075 . . . . 73.13 112.374 -173.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -70.58 -50.78 33.73 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.79 0.836 . . . . 74.24 111.432 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.431 HD12 HD22 ' A' ' 34' ' ' LEU . 9.4 mp -74.0 -18.47 60.85 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 122.636 0.374 . . . . 74.25 111.009 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.23 -44.24 18.06 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.593 1.157 . . . . 75.24 110.527 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.7 t -67.65 -32.95 73.99 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 109.341 -0.614 . . . . 72.4 109.341 172.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.474 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.7 ttt -62.5 -44.08 97.24 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 109.756 -0.461 . . . . 74.43 109.756 171.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 36.7 tpp -60.47 -50.28 74.2 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.397 1.079 . . . . 74.51 112.037 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 8.6 p -66.58 -40.68 89.07 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.479 -0.782 . . . . 73.41 111.304 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.57 -36.22 70.85 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 119.068 -0.491 . . . . 74.51 111.425 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.474 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -73.75 -23.93 59.81 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.798 0.332 . . . . 70.44 110.16 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.4 -53.14 25.75 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.335 0.654 . . . . 62.43 109.541 172.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -56.17 -47.02 79.08 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 124.518 1.127 . . . . 64.52 111.253 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.442 ' HB ' HG23 ' A' ' 44' ' ' ILE . 34.0 p -62.13 -61.26 2.59 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.016 -0.993 . . . . 72.3 109.962 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.1 p -53.19 -29.53 32.44 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.463 0.705 . . . . 72.23 112.843 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 71.2 m -59.83 -62.44 1.87 Allowed 'General case' 0 C--O 1.247 0.962 0 C-N-CA 122.919 0.488 . . . . 74.02 110.554 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.505 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 3.7 p90 -73.86 -21.2 60.19 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.551 0.575 . . . . 74.21 112.551 -178.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.642 HD23 HG21 ' A' ' 44' ' ' ILE . 66.6 mt -69.47 -42.41 74.89 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.568 0.747 . . . . 74.52 110.621 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 3.7 t -75.8 -33.18 60.12 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 123.542 0.526 . . . . 64.4 110.692 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -62.76 -42.96 99.92 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.443 0.464 . . . . 72.51 110.306 171.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . 0.473 ' HG2' ' HE1' ' A' ' 48' ' ' MET . 25.9 tp60 -62.79 -40.37 97.13 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.145 -0.934 . . . . 71.4 110.393 175.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -64.48 -40.34 95.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.147 0.579 . . . . 73.4 110.37 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 57.7 m -63.81 -45.21 90.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.417 0.687 . . . . 75.32 110.603 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.66 -50.74 23.05 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.052 0.453 . . . . 74.42 111.814 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' MET . . . . . 0.451 ' SD ' HG21 ' A' ' 64' ' ' VAL . 59.0 ttm -63.47 -33.02 74.64 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.834 0.854 . . . . 72.43 111.513 -174.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -89.18 -56.45 3.27 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 122.637 0.375 . . . . 61.33 110.046 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 78.53 1.78 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 112.316 0.487 . . . . 73.24 112.316 174.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 CA--C 1.56 1.339 0 O-C-N 121.578 -0.702 . . . . 70.41 110.708 167.266 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.012 0.434 . . . . 74.53 109.936 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.5 p -66.16 -42.09 89.45 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.76 0.824 . . . . 74.01 112.199 -171.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -68.54 -35.79 77.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.218 0.607 . . . . 70.42 110.994 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.424 ' O ' HG13 ' A' ' 8' ' ' ILE . 76.1 m -73.38 -41.93 62.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.844 -0.616 . . . . 72.42 111.331 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.39 -38.07 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 117.827 0.285 . . . . 74.54 110.988 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.54 -37.86 83.34 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 109.57 -0.53 . . . . 72.53 109.57 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.446 ' HE1' HG21 ' A' ' 52' ' ' THR . 60.9 t80 -53.55 -55.49 25.11 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.112 0.965 . . . . 74.2 110.547 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.468 HG12 HG22 ' A' ' 60' ' ' ILE . 92.4 mt -55.72 -57.98 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.136 0.974 . . . . 65.25 111.463 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.454 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 88.6 m-20 -57.08 -46.6 82.39 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.606 1.191 . . . . 74.42 111.737 -172.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' ILE . 62.3 mtm180 -74.76 -32.04 61.96 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 118.41 -0.805 . . . . 74.33 111.663 -174.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.402 ' HH2' HD23 ' A' ' 457' ' ' LEU . 51.2 m95 -64.68 -37.79 88.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 118.542 0.61 . . . . 74.24 110.64 171.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -60.44 -44.48 95.78 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 123.69 0.618 . . . . 72.25 109.779 173.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 44.3 mmt-85 -58.89 -49.85 76.23 Favored 'General case' 0 C--N 1.359 1.02 0 O-C-N 123.578 0.549 . . . . 74.14 109.883 175.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.9 mt -55.58 -44.69 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.137 0.975 . . . . 72.3 111.164 -175.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.59 -47.35 32.88 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 123.619 0.768 . . . . 72.14 112.62 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.5 mt -71.99 -38.82 69.62 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.308 -0.405 . . . . 74.33 110.439 -176.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.7 mt -69.78 -40.4 76.06 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 118.404 -0.808 . . . . 64.44 110.663 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.485 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 70.3 p -59.6 -43.78 93.61 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.521 0.513 . . . . 74.54 110.545 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.03 -43.26 99.18 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 123.89 0.744 . . . . 72.04 110.704 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -63.16 -52.59 61.79 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.377 0.671 . . . . 74.54 112.02 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.576 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.0 pp -71.4 -22.34 61.88 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.847 0.459 . . . . 74.3 111.433 -177.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.86 -44.9 88.21 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 122.762 0.425 . . . . 72.33 110.16 172.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -57.64 -45.65 85.19 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.021 0.826 . . . . 74.22 110.092 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 32' ' ' LEU . 55.5 mt -64.82 -32.49 74.21 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.847 0.859 . . . . 75.22 111.7 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB1' HD13 ' A' ' 33' ' ' LEU . . . -72.5 -46.43 54.72 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.658 0.783 . . . . 64.24 110.813 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.44 -17.6 59.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.053 0.541 . . . . 74.43 111.855 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -85.81 -26.54 25.67 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.807 0.443 . . . . 74.4 110.065 169.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.52 1.66 50.18 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-O 118.927 -0.93 . . . . 75.05 114.684 174.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -68.54 88.43 0.34 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.477 1.138 . . . . 74.32 109.985 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -68.5 -36.87 79.5 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 123.054 0.541 . . . . 75.44 110.173 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.56 -46.85 80.49 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.463 0.705 . . . . 74.02 111.062 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' HB3' HD13 ' A' ' 24' ' ' LEU . 85.5 mt -75.62 -35.59 60.45 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.736 -0.665 . . . . 74.04 111.167 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 21' ' ' LEU . 60.4 tp -57.56 -46.18 84.27 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.786 0.835 . . . . 74.54 110.432 173.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 78.9 mt -77.38 -25.17 50.67 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.217 1.007 . . . . 71.15 111.36 -177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -65.0 -39.58 93.67 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.256 0.55 . . . . 73.32 109.579 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -87.58 -19.0 28.42 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.415 -0.811 . . . . 73.23 111.63 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.3 -59.92 3.27 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.044 0.937 . . . . 64.45 111.339 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.8 m -59.19 -42.7 87.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 CA-C-N 114.777 -1.102 . . . . 74.12 111.243 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 m -61.09 -47.05 88.09 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.84 0.856 . . . . 71.11 110.479 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.485 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 26.5 t80 -69.62 -61.32 1.83 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.52 1.528 . . . . 74.11 111.869 -172.185 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.24 -40.53 86.23 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.028 0.83 . . . . 75.45 110.951 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.91 -40.92 99.07 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.428 0.455 . . . . 74.43 111.587 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 m -60.64 -41.09 94.24 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.411 0.444 . . . . 63.41 111.226 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.48 HG23 HD21 ' A' ' 457' ' ' LEU . 58.5 mt -63.89 -44.46 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-O 121.44 0.638 . . . . 75.41 110.08 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -57.51 -47.55 81.65 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.795 -1.093 . . . . 75.03 111.323 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -77.36 -30.35 53.79 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.478 0.547 . . . . 72.55 112.478 -171.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.28 -31.68 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 CA-C-N 118.682 0.674 . . . . 63.21 110.241 172.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.459 ' HE3' ' HG3' ' A' ' 460' ' ' GLN . 25.4 mmt -82.78 -24.94 33.21 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 112.622 0.601 . . . . 74.21 112.622 176.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.17 -29.33 63.91 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.912 0.485 . . . . 72.24 110.047 171.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -88.47 18.51 4.47 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.905 0.882 . . . . 73.3 110.419 168.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 48.89 14.89 0.08 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 127.152 2.181 . . . . 75.12 115.792 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.446 HG21 ' HE1' ' A' ' 7' ' ' PHE . 98.7 m 56.86 94.04 0.05 OUTLIER Pre-proline 0 CA--C 1.561 1.385 0 C-N-CA 123.789 0.835 . . . . 74.41 109.971 -168.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.441 ' O ' HG12 ' A' ' 56' ' ' ILE . 16.9 Cg_endo -55.67 136.83 76.11 Favored 'Trans proline' 0 C--N 1.385 2.464 0 C-N-CA 122.8 2.334 . . . . 71.04 111.822 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -73.56 -9.6 22.93 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.672 2.248 . . . . 75.11 113.393 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.92 58.54 5.03 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 112.09 -0.404 . . . . 62.54 112.09 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.441 HG12 ' O ' ' A' ' 53' ' ' PRO . 45.1 mm -123.43 115.43 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.694 1.198 . . . . 74.25 108.675 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -74.95 174.29 9.49 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.027 0.531 . . . . 75.35 110.293 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -28.63 67.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.679 0.392 . . . . 75.4 111.211 -175.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -70.32 -47.75 59.67 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.543 0.737 . . . . 71.42 110.531 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.682 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 93.6 mt -67.41 -39.0 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.098 -0.955 . . . . 73.31 109.842 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.07 -40.74 90.56 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.973 0.909 . . . . 75.31 111.091 175.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.27 -50.25 73.79 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.612 0.57 . . . . 74.44 110.187 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.682 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 49.6 mtm -55.08 -54.37 44.01 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 124.258 0.974 . . . . 75.15 110.46 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.5 m -75.32 -28.09 20.01 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 CA-C-O 118.624 -0.703 . . . . 72.22 112.551 -171.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.34 82.32 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.3 -0.629 . . . . 70.13 109.3 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.99 -36.92 92.68 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.541 -0.754 . . . . 65.12 112.108 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.451 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 21.5 m-85 -68.67 -36.53 78.65 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.169 0.588 . . . . 71.21 111.399 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 64' ' ' VAL . 52.3 mt -71.99 -38.87 65.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 108.898 -0.778 . . . . 73.33 108.898 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -55.7 -48.6 74.84 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.335 0.654 . . . . 74.25 110.622 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -61.36 -50.83 71.32 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 115.33 -0.85 . . . . 75.25 111.021 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.51 HG21 ' HA ' ' A' ' 68' ' ' ILE . 7.5 t -63.53 -40.17 96.34 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 123.584 0.553 . . . . 71.13 110.823 -174.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.38 -42.06 98.83 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.429 0.692 . . . . 70.11 111.109 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.67 -56.92 14.56 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.785 0.678 . . . . 73.12 110.421 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -66.01 -38.56 88.78 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.508 -0.769 . . . . 75.25 111.792 -173.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' HA ' HD13 ' A' ' 78' ' ' LEU . 37.0 tt0 -77.27 -27.7 53.23 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.112 0.965 . . . . 73.51 111.463 -176.087 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -66.22 -41.06 90.65 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.123 0.569 . . . . 65.44 109.814 169.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.3 -32.53 72.73 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.445 -0.798 . . . . 73.41 110.941 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 75' ' ' GLU . 96.0 mt -64.63 -45.86 85.04 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.946 0.498 . . . . 73.13 110.004 172.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -53.34 -52.49 59.04 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 123.974 0.796 . . . . 71.24 110.451 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.42 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -66.51 -49.31 57.06 Favored Glycine 0 C--N 1.351 1.416 0 O-C-N 123.941 0.776 . . . . 62.31 113.496 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.99 -55.97 27.47 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.464 1.105 . . . . 72.51 110.369 -176.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.41 HD23 HD21 ' A' ' 443' ' ' LEU . 62.6 mt -68.02 -27.03 66.2 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.236 -0.893 . . . . 74.14 110.581 -177.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.08 -44.13 97.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.65 0.38 . . . . 73.14 110.244 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 22.1 mt-30 -58.79 -51.48 69.82 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.212 0.945 . . . . 64.13 109.557 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -59.98 -44.65 94.35 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.948 -1.024 . . . . 74.42 111.899 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 443' ' ' LEU . 73.7 mt -73.04 -31.3 64.34 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.517 0.727 . . . . 71.31 111.646 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.06 -40.93 95.45 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.685 0.615 . . . . 75.12 109.377 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 34.5 mt-10 -69.51 -47.05 65.05 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.159 0.912 . . . . 75.23 110.89 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.444 ' O ' HG13 ' A' ' 93' ' ' ILE . 89.8 mt -59.23 -49.54 77.44 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.186 0.594 . . . . 74.25 110.004 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.7 t -60.52 -38.14 83.44 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.66 0.784 . . . . 74.23 111.303 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.8 t -63.24 -33.11 74.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.018 0.527 . . . . 71.3 110.864 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 85.9 mt -73.47 -49.14 28.32 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.15 0.58 . . . . 75.43 109.628 175.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 89' ' ' LEU . 89.2 mt -58.71 -41.53 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 124.476 1.11 . . . . 75.41 111.79 -174.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.29 -23.55 71.7 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 121.906 -0.188 . . . . 52.41 113.427 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -100.03 -29.84 12.31 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.272 0.629 . . . . 73.34 112.002 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.471 HG22 HG23 ' A' ' 433' ' ' VAL . 23.4 m -97.08 -32.41 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 122.846 0.458 . . . . 74.53 111.21 -175.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 tt -95.51 111.62 23.49 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 106.312 -1.736 . . . . 75.0 106.312 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -85.12 96.04 9.32 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 106.843 -1.54 . . . . 74.04 106.843 171.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -9.9 59.66 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.243 0.617 . . . . 74.3 112.456 -172.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.45 -75.94 0.03 OUTLIER Glycine 0 C--N 1.342 0.893 0 CA-C-O 119.478 -0.623 . . . . 70.13 111.862 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -80.28 -174.66 2.34 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.858 2.372 . . . . 73.14 112.754 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.4 m 67.17 34.57 4.92 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.469 1.107 . . . . 71.34 111.655 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -157.59 144.1 17.88 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.803 0.841 . . . . 73.11 110.26 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -91.07 22.93 26.64 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 116.155 -0.475 . . . . 73.43 112.546 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 pp -148.85 -176.82 5.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.987 1.315 . . . . 75.33 108.917 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.6 t -83.75 100.77 1.07 Allowed Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 108.77 -0.826 . . . . 74.34 108.77 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -92.97 0.92 3.65 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 122.857 2.371 . . . . 73.23 113.132 -172.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -79.21 81.74 5.44 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.343 1.057 . . . . 72.14 109.236 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -93.84 49.59 2.26 Favored Glycine 0 C--N 1.343 0.933 0 CA-C-N 115.412 -0.813 . . . . 70.15 112.023 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.9 m -69.41 92.93 0.62 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.506 0.722 . . . . 75.41 110.58 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 146.45 -38.7 1.14 Allowed Glycine 0 C--N 1.341 0.806 0 CA-C-N 115.648 -0.706 . . . . 70.52 111.62 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.07 115.11 0.42 Allowed Glycine 0 C--N 1.346 1.084 0 N-CA-C 112.146 -0.382 . . . . 54.22 112.146 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.417 HG23 HD13 ' A' ' 429' ' ' ILE . 2.9 mp -98.03 169.15 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.327 0 N-CA-C 107.666 -1.235 . . . . 75.11 107.666 172.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.28 151.53 25.34 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 121.598 -0.689 . . . . 72.54 109.435 170.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.05 -178.38 35.93 Favored Glycine 0 N--CA 1.471 1.027 0 CA-C-N 116.691 -0.231 . . . . 70.34 112.565 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 29.6 t -71.42 -21.86 61.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.315 0.646 . . . . 73.23 111.499 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.417 HD13 HG23 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -54.69 -45.32 72.83 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 123.827 0.851 . . . . 74.54 110.222 174.27 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.63 -46.49 70.51 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 123.421 0.689 . . . . 74.24 110.967 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -70.59 -50.07 41.15 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.736 -1.12 . . . . 65.54 111.34 -172.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.3 t -68.58 -40.44 80.52 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 123.487 0.492 . . . . 61.31 111.455 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . 0.471 HG23 HG22 ' A' ' 96' ' ' VAL . 55.5 t -66.7 -38.24 81.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.551 0 C-N-CA 123.314 0.646 . . . . 74.34 109.716 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -67.73 -29.08 68.23 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.091 0.556 . . . . 64.41 111.228 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -72.0 -45.06 62.32 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.671 0.388 . . . . 74.23 110.368 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -64.73 -39.63 93.97 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.469 0.48 . . . . 75.31 110.649 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.87 -39.99 83.63 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.944 1.297 . . . . 75.53 110.511 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -66.36 -57.18 8.01 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.966 0.507 . . . . 71.42 110.645 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -61.24 -34.54 75.3 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.936 0.773 . . . . 75.4 110.673 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -62.17 -64.99 0.76 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 109.233 -0.654 . . . . 74.01 109.233 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 34.3 m -58.76 -34.32 71.28 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.31 1.044 . . . . 71.33 112.401 -171.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.05 -58.05 7.07 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.537 0.735 . . . . 72.53 111.334 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.519 ' HB2' HD21 ' A' ' 86' ' ' LEU . 7.9 mp -70.57 -18.73 62.91 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.12 0.568 . . . . 72.01 110.825 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.37 -53.35 8.28 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.145 1.378 . . . . 74.13 110.835 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.0 t -67.06 -30.82 70.98 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 123.511 0.507 . . . . 74.4 109.69 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.632 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.4 ttt -59.96 -47.98 83.57 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 123.865 0.728 . . . . 70.32 109.396 173.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.625 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 47.3 ttm -64.06 -46.97 81.98 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.285 0.991 . . . . 75.0 112.152 -175.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 7.8 p -63.71 -37.12 86.16 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 123.557 0.536 . . . . 54.13 111.201 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -71.82 -40.95 68.75 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 119.241 -0.409 . . . . 74.15 111.231 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.632 HD22 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -77.46 -21.28 53.15 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 117.941 0.337 . . . . 74.14 111.135 -175.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -82.35 -38.25 24.5 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.095 -0.706 . . . . 74.21 109.095 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -57.61 -50.06 74.39 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.891 0.876 . . . . 75.24 109.787 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 41.6 p -63.54 -61.61 2.21 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 115.063 -0.971 . . . . 75.32 109.763 -178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 77.6 p -51.27 -32.02 23.21 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.497 0.719 . . . . 62.43 112.824 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -63.14 -62.24 1.84 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 122.898 0.479 . . . . 72.13 110.574 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -70.9 -20.74 62.47 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.067 0.395 . . . . 73.33 112.067 -177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.48 HD21 HG23 ' A' ' 44' ' ' ILE . 65.2 mt -71.92 -43.46 65.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.776 0.83 . . . . 75.01 110.549 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.5 t -72.08 -33.34 67.82 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.303 0.377 . . . . 74.45 110.673 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -62.4 -50.2 72.47 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.048 0.452 . . . . 74.43 110.113 171.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . 0.459 ' HG3' ' HE3' ' A' ' 48' ' ' MET . 16.0 tm0? -64.47 -36.33 83.82 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.189 -0.914 . . . . 75.05 110.076 -177.707 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . 0.53 ' HB2' HG23 ' A' ' 68' ' ' ILE . 40.9 t80 -65.0 -45.21 86.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.674 0.79 . . . . 74.32 110.482 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 52.0 m -59.94 -38.37 82.22 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.121 0.888 . . . . 61.3 110.136 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.17 -51.19 18.77 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.864 0.466 . . . . 55.21 111.724 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.1 ttm -60.33 -34.73 74.24 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.915 0.886 . . . . 72.13 110.783 -174.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -86.6 -67.71 0.79 Allowed 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.158 -0.928 . . . . 74.15 109.06 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 78.0 1.69 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 118.069 0.395 . . . . 74.31 112.026 175.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 C--O 1.255 1.348 0 CA-C-O 118.965 -0.54 . . . . 73.15 111.233 171.813 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 121.264 0.555 . . . . 73.34 109.922 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 p -56.89 -52.01 66.85 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.589 0.756 . . . . 63.53 112.105 -174.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -64.7 -41.14 96.23 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.84 0.856 . . . . 74.51 111.809 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.494 ' O ' HG13 ' A' ' 8' ' ' ILE . 33.4 m -74.54 -36.63 63.13 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.538 -0.755 . . . . 75.41 111.385 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.4 p -76.95 -39.22 29.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 119.501 -0.285 . . . . 73.31 110.516 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.99 -36.04 82.68 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.425 -0.583 . . . . 74.43 109.425 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' HB3' ' O ' ' A' ' 4' ' ' THR . 63.0 t80 -55.63 -57.71 10.82 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.501 1.12 . . . . 75.13 111.448 172.59 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 4' ' ' THR . 66.1 mt -57.28 -58.19 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 123.952 0.901 . . . . 74.2 110.746 -177.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 82.3 m-20 -52.93 -53.45 49.34 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 125.144 1.527 . . . . 73.14 111.592 -174.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.486 HH21 ' HD3' ' A' ' 50' ' ' LYS . 87.3 mtm180 -73.07 -36.21 66.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 118.415 -0.802 . . . . 73.25 112.846 -171.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -62.42 -40.88 97.99 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.769 0.713 . . . . 75.43 110.37 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -59.08 -43.82 91.83 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.235 1.014 . . . . 70.41 110.047 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 78.9 mmt-85 -62.48 -44.55 96.11 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.868 0.73 . . . . 73.11 111.009 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 10' ' ' ARG . 75.7 mt -60.87 -41.78 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 124.052 0.845 . . . . 74.31 111.24 -177.113 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.75 89.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.051 0.54 . . . . 70.24 111.523 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.32 -43.65 94.02 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.404 -0.816 . . . . 75.44 110.922 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 86.1 mt -67.31 -49.16 65.26 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.7 0.8 . . . . 71.12 110.463 -176.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.8 p -58.38 -46.27 86.65 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 124.243 0.964 . . . . 73.33 111.289 -178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -61.27 -44.2 97.63 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 124.193 0.933 . . . . 75.02 111.01 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.5 m -61.2 -54.23 46.85 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 123.887 0.742 . . . . 73.25 111.266 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.53 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -72.86 -19.02 61.38 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.098 0.559 . . . . 75.13 111.977 -175.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.428 HD21 ' HA ' ' A' ' 74' ' ' ASN . 61.4 tp -68.94 -44.97 71.94 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.545 -0.539 . . . . 75.03 109.545 171.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.1 -38.81 77.16 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.109 0.881 . . . . 42.25 110.142 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.506 HD13 ' HA ' ' A' ' 21' ' ' LEU . 59.1 mt -68.1 -43.88 77.48 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.403 -0.817 . . . . 74.03 111.112 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.08 88.95 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.568 0.747 . . . . 64.41 111.41 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -75.6 -29.61 59.3 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 123.349 0.405 . . . . 75.31 110.504 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.591 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -71.81 -22.73 61.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.54 0.736 . . . . 71.43 111.666 173.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 10.53 65.39 Favored Glycine 0 C--N 1.343 0.969 0 O-C-N 123.246 0.341 . . . . 62.42 112.85 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 17.6 mm-40 -75.48 82.07 2.53 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.724 0.81 . . . . 73.43 109.229 175.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.507 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 7.5 m95 -70.51 -44.26 67.94 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 122.778 0.431 . . . . 72.24 110.462 -177.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.44 -48.83 68.45 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.947 0.899 . . . . 74.42 111.417 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.76 -38.11 83.01 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.186 -0.915 . . . . 75.31 110.643 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.53 HD12 ' HB2' ' A' ' 21' ' ' LEU . 54.8 tp -61.24 -37.78 84.3 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.387 1.075 . . . . 71.45 111.078 175.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 83.2 mt -72.59 -33.71 66.91 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.218 1.007 . . . . 72.4 111.334 -178.535 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.67 -40.39 94.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.495 0.664 . . . . 73.43 109.88 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -82.48 -19.43 38.84 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.522 -1.217 . . . . 73.44 111.729 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.58 -62.12 1.86 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.193 0.997 . . . . 75.43 111.353 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.5 -41.27 89.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 115.018 -0.992 . . . . 75.14 112.039 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.4 p -70.08 -52.42 24.05 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.536 0.734 . . . . 71.43 110.684 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -60.27 -50.88 71.87 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.466 1.106 . . . . 71.12 111.969 -176.458 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.638 ' HB3' ' HZ2' ' A' ' 449' ' ' LYS . 96.0 mt -61.92 -42.55 99.22 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.694 0.622 . . . . 74.51 110.459 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.97 -36.63 77.54 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.195 0.598 . . . . 73.1 111.394 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.4 m -62.78 -37.54 87.08 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.313 0.645 . . . . 63.04 110.394 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.51 ' HA ' HG23 ' A' ' 47' ' ' VAL . 46.1 mt -72.12 -38.24 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 CA-C-N 115.651 -0.704 . . . . 74.13 110.866 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.93 -43.67 86.42 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.675 0.39 . . . . 75.35 111.256 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.429 HG23 ' HD2' ' A' ' 10' ' ' ARG . 13.9 t -78.33 -25.73 46.56 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 123.186 0.304 . . . . 74.35 111.554 -174.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' HA ' ' A' ' 44' ' ' ILE . 32.6 m -78.38 -18.58 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.698 -0.626 . . . . 75.14 111.385 170.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.1 mmt -86.1 -21.31 27.72 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.776 0.43 . . . . 74.13 111.104 171.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -73.27 -31.63 64.19 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 122.883 0.473 . . . . 74.21 110.231 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.506 ' HG2' ' HA ' ' A' ' 47' ' ' VAL . 16.2 pttp -85.65 -19.55 30.77 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.705 0.402 . . . . 72.2 110.745 172.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 60.81 -89.46 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.868 1.267 . . . . 65.13 109.286 -167.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 m -174.57 106.54 0.28 Allowed Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.087 1.755 . . . . 70.32 106.963 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.415 ' O ' HG12 ' A' ' 56' ' ' ILE . 51.2 Cg_exo -58.76 139.92 92.81 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.71 2.273 . . . . 74.3 112.73 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.09 -28.25 87.29 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.97 2.447 . . . . 73.01 113.924 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.45 66.76 3.62 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 122.987 0.18 . . . . 71.51 113.531 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.415 HG12 ' O ' ' A' ' 53' ' ' PRO . 48.6 mm -126.01 120.5 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.49 1.116 . . . . 74.24 108.023 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -77.29 174.47 10.74 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.644 0.378 . . . . 73.44 111.133 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.489 ' HD2' ' H ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -66.13 -34.27 77.66 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.343 1.057 . . . . 71.25 112.323 -174.242 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.489 ' H ' ' HD2' ' A' ' 58' ' ' ARG . 49.9 m -72.09 -44.8 62.67 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.864 0.466 . . . . 72.11 110.758 -178.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.658 ' HA ' ' HE3' ' A' ' 63' ' ' MET . 94.8 mt -67.91 -40.0 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.044 0.938 . . . . 75.24 110.259 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -61.5 -38.22 86.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.233 1.013 . . . . 73.21 110.48 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.08 -51.27 64.86 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.268 0.627 . . . . 74.4 111.184 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.658 ' HE3' ' HA ' ' A' ' 60' ' ' ILE . 44.6 mtm -55.87 -53.06 61.36 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 123.823 0.702 . . . . 75.5 110.513 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 68' ' ' ILE . 31.9 m -71.27 -31.27 43.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 CA-C-N 115.311 -0.859 . . . . 74.24 112.086 -173.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.04 85.79 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.164 0.438 . . . . 75.23 109.916 173.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.7 -42.43 98.66 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.767 -0.651 . . . . 63.44 111.752 172.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.405 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 22.4 m-85 -65.36 -39.6 92.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.556 0.742 . . . . 73.43 111.848 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 64' ' ' VAL . 72.9 mt -72.03 -39.9 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.333 -0.618 . . . . 75.03 109.333 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.8 -40.49 95.41 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.327 0.251 . . . . 70.31 110.434 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -59.47 -53.17 61.25 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.028 0.83 . . . . 73.05 110.081 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 t -67.26 -30.09 69.89 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 124.274 0.984 . . . . 75.31 111.386 -172.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.73 -46.24 72.74 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.455 0.702 . . . . 75.14 110.722 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.2 -46.94 78.7 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.195 0.934 . . . . 75.11 110.496 -177.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.428 ' HA ' HD21 ' A' ' 22' ' ' LEU . 13.6 m120 -62.88 -46.45 87.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.526 0.73 . . . . 75.52 110.52 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.495 ' HA ' HD11 ' A' ' 78' ' ' LEU . 36.1 tt0 -72.83 -22.61 60.77 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.25 1.02 . . . . 71.43 111.939 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.14 -45.35 73.81 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.454 0.702 . . . . 65.41 109.612 170.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.33 -27.39 65.32 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.731 -0.668 . . . . 71.41 110.946 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.495 HD11 ' HA ' ' A' ' 75' ' ' GLU . 91.0 mt -66.71 -47.35 72.62 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.146 0.579 . . . . 73.51 109.736 170.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.401 ' HA ' ' HE2' ' A' ' 447' ' ' MET . 64.3 tttp -53.63 -49.28 68.22 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.133 0.896 . . . . 75.3 110.537 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.438 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -65.65 -59.35 7.77 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.307 0.379 . . . . 75.15 113.071 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.85 -50.08 75.17 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.18 0.992 . . . . 72.05 111.239 -172.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.402 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 68.9 mt -72.05 -27.9 63.0 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 118.656 -0.688 . . . . 72.5 111.377 -177.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.412 ' N ' ' HE3' ' A' ' 447' ' ' MET . 10.2 tt0 -64.71 -37.02 86.16 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 118.489 0.586 . . . . 75.53 110.463 174.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 22.5 mt-30 -61.68 -49.34 76.91 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.076 0.86 . . . . 74.33 109.212 174.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -54.43 -46.11 73.17 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.443 1.089 . . . . 72.41 111.53 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 83.7 mt -65.66 -39.2 91.1 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.948 0.78 . . . . 74.54 111.398 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.25 -42.07 96.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.357 0.663 . . . . 63.1 110.33 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.2 mt-10 -65.83 -55.05 19.12 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.044 -0.98 . . . . 61.14 110.588 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.71 -33.31 75.66 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.763 0.825 . . . . 75.1 111.739 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 t -64.83 -42.42 94.97 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.285 0.634 . . . . 75.34 110.067 176.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.469 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 28.0 t -63.57 -43.04 98.15 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.659 -0.701 . . . . 63.31 110.205 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 98.1 mt -64.17 -43.11 96.14 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.612 0.765 . . . . 74.11 111.649 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.74 -42.68 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.581 0.752 . . . . 71.34 109.402 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.35 -27.41 71.61 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.487 -0.778 . . . . 63.31 113.954 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.4 mm100 -86.33 -45.56 11.11 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.404 0.682 . . . . 73.1 111.687 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.68 -33.83 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 111.876 0.324 . . . . 74.44 111.876 -173.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tt -92.5 110.57 21.99 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.168 -1.049 . . . . 74.33 108.168 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -89.22 94.27 9.86 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 106.931 -1.507 . . . . 74.22 106.931 169.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.43 7.33 5.52 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 113.059 0.763 . . . . 73.23 113.059 -173.667 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.45 -78.24 0.1 Allowed Glycine 0 C--N 1.343 0.942 0 N-CA-C 111.153 -0.779 . . . . 73.13 111.153 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.61 157.63 61.04 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.704 2.27 . . . . 74.42 112.131 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.6 m 65.17 27.88 12.23 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.696 1.198 . . . . 72.35 111.534 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -137.09 133.67 35.62 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.201 1.001 . . . . 63.51 108.873 174.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.32 -16.01 68.64 Favored Glycine 0 C--N 1.348 1.208 0 O-C-N 123.432 0.457 . . . . 73.13 113.722 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 pp -132.35 166.05 22.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.205 1.002 . . . . 73.44 110.366 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.5 t -89.59 112.39 51.47 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.451 0.701 . . . . 73.24 109.329 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_endo -85.91 44.91 1.39 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 123.483 2.789 . . . . 73.24 112.141 -178.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -75.05 88.03 2.39 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.948 0.899 . . . . 74.54 109.737 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.15 113.07 0.56 Allowed Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.422 -0.808 . . . . 63.14 112.021 -176.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 46.4 m -74.54 -16.66 60.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.601 0.761 . . . . 74.15 111.403 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -74.61 -22.6 76.99 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 115.954 -0.566 . . . . 73.5 112.388 172.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.54 -162.17 18.8 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 123.569 0.604 . . . . 74.42 112.257 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.4 mp -96.02 164.59 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 124.64 1.176 . . . . 75.41 108.847 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.86 145.49 30.35 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.051 0.54 . . . . 71.42 110.051 171.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.38 -171.39 41.91 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-N 116.649 -0.25 . . . . 74.1 113.225 176.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 21.7 t -79.88 -13.48 59.35 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.834 0.854 . . . . 74.31 111.904 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -27.76 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 123.158 0.583 . . . . 71.22 110.127 172.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.76 -42.89 94.27 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 123.163 0.585 . . . . 75.14 111.135 172.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.7 mt-10 -67.99 -35.58 78.58 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.761 0.663 . . . . 71.42 110.735 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.9 m -57.08 -52.9 63.44 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.949 0.899 . . . . 73.05 110.638 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.78 -37.11 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 114.318 -1.31 . . . . 74.35 110.807 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.03 89.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.012 0.525 . . . . 73.14 111.092 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 28.0 mmt180 -66.12 -55.45 16.39 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.61 0.569 . . . . 72.15 110.066 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -66.49 -41.95 88.14 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.225 -0.898 . . . . 75.21 112.043 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -76.33 -28.62 56.96 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.774 0.671 . . . . 72.11 110.848 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.84 -59.7 4.96 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.398 -0.593 . . . . 65.44 109.398 171.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -62.47 -35.72 80.22 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.617 -0.719 . . . . 71.11 110.921 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -68.12 -64.64 0.82 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 123.095 0.558 . . . . 75.43 110.271 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.6 m -58.37 -33.37 69.51 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.408 1.083 . . . . 74.24 112.245 -171.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.403 ' HB3' HD23 ' A' ' 34' ' ' LEU . 19.1 mt-30 -73.81 -53.39 10.37 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.327 0.651 . . . . 74.14 110.923 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.21 -20.1 66.28 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 117.577 0.171 . . . . 72.52 111.278 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -80.26 -46.06 16.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.875 1.27 . . . . 75.54 111.066 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.0 t -67.11 -36.67 82.43 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 109.574 -0.528 . . . . 74.53 109.574 174.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.613 ' HG2' HD21 ' A' ' 450' ' ' LEU . 25.3 ttt -60.12 -43.08 95.93 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.932 0.77 . . . . 73.33 109.663 174.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.589 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 4.2 ttm -67.95 -51.1 51.49 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.026 0.829 . . . . 65.43 112.908 -176.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 57.2 p -58.35 -40.73 82.96 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.76 0.663 . . . . 54.35 110.35 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.638 ' HZ2' ' HB3' ' A' ' 41' ' ' LEU . 8.1 mtpm? -69.82 -45.74 67.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.12 -0.946 . . . . 75.02 110.883 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.613 HD21 ' HG2' ' A' ' 446' ' ' MET . 2.6 pp -73.08 -20.97 60.85 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 118.24 0.473 . . . . 64.14 111.309 -172.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -76.49 -45.42 31.09 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.981 -0.748 . . . . 71.4 108.981 174.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -58.09 -42.8 86.4 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.07 0.856 . . . . 74.32 110.444 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 456' ' ' TYR . 67.4 p -66.67 -59.5 3.54 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 123.785 0.678 . . . . 64.4 109.869 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.0 p -53.4 -29.27 34.02 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.556 0.742 . . . . 71.04 112.466 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.442 ' O ' HG23 ' A' ' 458' ' ' THR . 23.3 t -63.92 -62.77 1.42 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.42 0.688 . . . . 74.03 110.96 175.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.46 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 1.2 p90 -72.94 -20.98 60.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.507 -0.745 . . . . 74.33 112.371 -177.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.84 -34.1 60.07 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.258 0.623 . . . . 73.11 110.47 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.442 HG23 ' O ' ' A' ' 455' ' ' SER . 13.0 t -74.23 -33.09 63.24 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 117.878 0.308 . . . . 70.22 110.386 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 455' ' ' SER . 17.2 mt-30 -64.47 -47.04 80.5 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 123.467 0.479 . . . . 74.51 109.898 172.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -60.31 -39.78 88.2 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 114.67 -1.15 . . . . 72.42 110.204 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.11 -47.54 76.79 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 123.606 0.762 . . . . 71.32 110.807 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 94.2 m -60.58 -41.2 94.19 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 123.975 0.797 . . . . 75.15 111.276 -175.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.33 -52.99 8.83 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.927 -0.579 . . . . 70.24 111.558 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' MET . . . . . 0.436 ' SD ' HG21 ' A' ' 64' ' ' VAL . 53.8 ttm -61.15 -33.24 73.1 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.426 0.69 . . . . 64.42 110.994 -176.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -73.27 -71.47 0.31 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.316 -0.994 . . . . 74.44 108.316 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 86.23 2.46 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 112.88 0.696 . . . . 71.45 112.88 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 CA--C 1.558 1.252 0 O-C-N 121.761 -0.587 . . . . 74.52 109.881 162.316 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptt? . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.091 0.472 . . . . 75.44 110.184 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.4 p -63.98 -47.27 81.04 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.839 0.856 . . . . 65.12 112.05 -176.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -64.88 -35.1 80.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.723 0.809 . . . . 71.35 111.388 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 8' ' ' ILE . 38.5 m -78.44 -40.08 36.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 122.869 0.468 . . . . 75.4 111.542 -177.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.7 p -70.6 -37.06 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 118.117 0.417 . . . . 75.24 110.959 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.69 -40.58 88.59 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 109.242 -0.651 . . . . 74.24 109.242 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -52.69 -53.82 42.12 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.116 0.966 . . . . 74.41 111.418 173.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 4' ' ' THR . 98.7 mt -55.31 -59.34 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 124.589 1.156 . . . . 73.23 111.186 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 88.2 m-20 -60.68 -46.08 91.73 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.428 -1.26 . . . . 71.03 111.807 -172.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.491 ' O ' HG13 ' A' ' 14' ' ' ILE . 80.6 mtm180 -72.81 -35.04 67.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 118.564 -0.731 . . . . 74.32 111.832 -173.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.462 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 48.5 m95 -61.32 -41.4 96.96 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 118.609 0.641 . . . . 75.35 110.274 172.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.28 -42.41 95.38 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.585 0.553 . . . . 72.13 110.519 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 22.0 mmt180 -59.47 -45.61 91.14 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.656 0.598 . . . . 75.45 110.196 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 10' ' ' ARG . 90.2 mt -54.38 -50.64 55.76 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 O-C-N 124.396 1.06 . . . . 75.23 109.926 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' HB2' ' NE2' ' A' ' 70' ' ' GLN . . . -63.08 -43.91 97.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.185 0.994 . . . . 72.24 112.802 -177.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.65 -46.26 90.54 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.768 0.827 . . . . 75.14 110.141 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.511 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 90.8 mt -61.25 -45.89 92.63 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.811 -1.086 . . . . 74.14 110.066 177.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.0 m -52.22 -53.51 42.58 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.639 1.175 . . . . 75.43 111.139 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.95 -47.21 84.2 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-N 114.821 -1.081 . . . . 72.43 110.732 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.429 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 52.2 m -57.99 -55.84 29.67 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.951 0.782 . . . . 70.55 111.831 -177.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.576 ' HB2' HD11 ' A' ' 33' ' ' LEU . 4.2 pp -70.3 -25.13 63.18 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.219 0.608 . . . . 63.1 112.071 -175.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.6 tp -63.98 -46.48 84.42 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.467 0.479 . . . . 74.2 110.067 175.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.69 -43.33 94.11 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.766 -1.107 . . . . 75.22 109.965 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.573 HD12 ' HB3' ' A' ' 32' ' ' LEU . 67.1 mt -66.89 -29.2 69.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.844 0.857 . . . . 72.42 112.061 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.39 -46.15 56.56 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.559 0.744 . . . . 62.14 110.939 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -75.6 -22.34 57.0 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.046 0.538 . . . . 74.21 111.281 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.414 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 27.5 mmm-85 -70.93 -24.53 62.47 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.724 0.81 . . . . 72.43 110.934 170.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.66 8.24 73.87 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-N 116.243 -0.435 . . . . 72.01 112.64 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.414 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 34.5 mm-40 -76.51 89.77 3.28 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.05 0.94 . . . . 65.3 109.884 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -77.61 -35.68 52.54 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.489 0.493 . . . . 75.14 111.421 -176.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.86 -45.89 90.47 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.147 0.499 . . . . 62.5 110.087 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.573 ' HB3' HD12 ' A' ' 24' ' ' LEU . 87.8 mt -70.48 -41.06 73.21 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.11 -0.95 . . . . 72.14 111.129 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.576 HD11 ' HB2' ' A' ' 21' ' ' LEU . 60.0 tp -58.19 -49.36 77.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.716 0.806 . . . . 74.3 111.23 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 HD22 HD13 ' A' ' 443' ' ' LEU . 81.7 mt -77.91 -18.71 55.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.857 0.863 . . . . 73.13 111.712 -175.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -67.58 -38.83 84.61 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.609 -0.515 . . . . 72.05 109.609 169.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 73.4 mm-40 -79.97 -27.52 39.69 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.435 -0.802 . . . . 75.45 110.822 178.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -47.23 -60.02 2.77 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.887 1.275 . . . . 75.12 111.809 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.7 m -58.94 -44.49 91.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 115.048 -0.978 . . . . 74.12 111.357 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m -60.15 -46.77 88.54 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.197 0.999 . . . . 51.14 110.571 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -68.81 -57.96 4.86 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 125.704 1.602 . . . . 72.23 111.993 -170.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.69 -40.59 97.59 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.125 0.891 . . . . 75.51 110.558 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -65.73 -38.12 88.26 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.513 0.508 . . . . 74.31 110.916 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.418 ' HA ' HG23 ' A' ' 46' ' ' THR . 69.0 m -61.08 -38.22 85.48 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.072 0.549 . . . . 71.45 111.331 177.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.547 HG23 HD21 ' A' ' 457' ' ' LEU . 75.4 mt -65.82 -43.03 93.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 121.459 0.647 . . . . 73.33 110.53 176.479 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.66 -35.48 77.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.313 0.645 . . . . 74.41 112.094 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.418 HG23 ' HA ' ' A' ' 43' ' ' SER . 13.1 t -79.0 -31.25 44.7 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.66 0.384 . . . . 74.54 111.141 -175.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 m -70.87 -33.35 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 118.259 0.482 . . . . 75.41 110.086 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.1 mmt -77.42 -12.71 59.99 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.277 0.631 . . . . 73.03 112.405 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -67.69 -33.49 75.01 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 109.677 -0.49 . . . . 64.33 109.677 168.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -89.49 -17.92 27.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.432 0.693 . . . . 73.25 110.848 171.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 43.36 39.52 2.18 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 126.102 1.761 . . . . 74.04 112.911 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.9 m 68.07 101.51 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 125.146 1.379 . . . . 75.24 111.095 -174.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -51.57 155.67 7.21 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 123.466 2.777 . . . . 75.51 113.815 172.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -63.13 -38.52 44.87 Favored 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.761 2.307 . . . . 71.02 112.522 174.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.99 66.9 3.82 Favored Glycine 0 C--N 1.35 1.31 0 CA-C-N 115.964 -0.562 . . . . 71.42 113.107 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.5 mm -118.94 113.43 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 108.201 -1.037 . . . . 72.01 108.201 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -77.91 170.8 15.98 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.184 0.594 . . . . 64.34 110.009 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -24.99 65.03 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.292 0.637 . . . . 75.14 111.961 -174.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 63' ' ' MET . 29.0 t -72.35 -46.67 54.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.39 0.676 . . . . 73.4 110.545 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.591 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 80.2 mt -67.45 -41.11 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.749 0.819 . . . . 73.42 110.093 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.8 -46.43 74.47 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.831 1.253 . . . . 74.02 110.801 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.66 -49.28 78.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.95 0.9 . . . . 52.31 111.634 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.591 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 48.5 mtm -59.95 -55.97 27.44 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 123.789 0.681 . . . . 53.4 110.475 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.572 ' O ' HG13 ' A' ' 68' ' ' ILE . 29.2 m -69.11 -33.12 56.98 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 CA-C-N 115.388 -0.823 . . . . 74.43 111.693 -173.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.82 -34.67 78.43 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.386 0.429 . . . . 72.51 110.208 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -64.09 -39.33 97.08 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.697 -0.683 . . . . 64.54 111.958 172.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.86 -30.02 64.99 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.325 0.65 . . . . 63.52 111.456 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 64' ' ' VAL . 50.8 mt -73.75 -36.84 47.5 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 N-CA-C 109.049 -0.723 . . . . 65.53 109.049 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -60.01 -45.15 93.72 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.052 -0.722 . . . . 74.23 109.052 175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 15' ' ' ALA . 26.1 mt-30 -62.72 -49.03 76.67 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 115.684 -0.689 . . . . 72.42 111.079 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 68' ' ' ILE . 10.7 t -64.24 -44.22 92.49 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 123.617 0.573 . . . . 73.41 110.728 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.44 -44.4 92.92 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.809 0.844 . . . . 73.14 112.062 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.44 -54.86 33.99 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.166 0.987 . . . . 75.0 110.657 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.427 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 10.1 m120 -67.68 -37.74 82.74 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.273 -0.876 . . . . 73.25 111.036 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.488 ' HA ' HD13 ' A' ' 78' ' ' LEU . 35.8 tt0 -73.97 -27.18 60.86 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.821 1.248 . . . . 74.44 111.564 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.47 -43.46 90.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.786 0.834 . . . . 75.11 110.043 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.82 -31.22 68.98 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.15 -0.932 . . . . 74.41 111.002 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.488 HD13 ' HA ' ' A' ' 75' ' ' GLU . 92.3 mt -66.23 -42.07 89.18 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.365 0.666 . . . . 74.14 110.132 172.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.25 -52.32 63.78 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.861 0.725 . . . . 75.44 110.103 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.09 -46.47 65.39 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.761 0.663 . . . . 70.13 113.712 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.4 -56.32 19.36 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.184 0.993 . . . . 72.34 110.022 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.06 -22.56 64.02 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 115.772 -0.649 . . . . 74.43 111.473 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.68 -46.21 90.69 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.353 0.524 . . . . 74.13 110.192 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.82 -50.46 73.71 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.863 -1.062 . . . . 71.14 110.434 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -59.22 -49.37 78.11 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.006 -0.997 . . . . 74.44 111.286 -176.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.2 -31.41 70.91 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.881 0.872 . . . . 75.11 112.152 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.79 -48.24 81.53 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.336 0.589 . . . . 71.54 109.604 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.437 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 33.4 mt-10 -60.69 -57.46 12.59 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 114.675 -1.148 . . . . 73.52 110.237 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 88.0 mt -56.61 -41.63 77.38 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.041 0.936 . . . . 74.51 111.506 -176.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -60.55 -46.84 88.7 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.628 0.771 . . . . 71.34 110.966 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 26.9 t -65.22 -39.87 93.34 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 123.77 0.669 . . . . 74.32 111.061 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 95.9 mt -64.57 -47.64 77.97 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.555 0.742 . . . . 74.43 111.177 -177.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.63 -41.07 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.06 0.944 . . . . 70.24 109.671 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.22 -29.05 67.77 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 115.696 -0.684 . . . . 63.41 113.561 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.4 mm100 -86.89 -52.48 5.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.401 0.68 . . . . 74.31 111.315 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 26.7 m -75.43 -37.81 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.747 0.419 . . . . 74.32 111.495 -170.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tt -79.3 111.67 15.77 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.175 -1.417 . . . . 73.42 107.175 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.449 ' HB2' ' HG2' ' A' ' 107' ' ' PRO . 52.2 m-85 -86.22 85.85 7.34 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.447 -0.945 . . . . 72.33 108.447 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.39 18.03 3.46 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.038 -0.983 . . . . 71.42 111.919 -176.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.72 -73.54 0.25 Allowed Glycine 0 C--N 1.337 0.614 0 N-CA-C 110.231 -1.147 . . . . 71.44 110.231 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -81.0 -174.51 2.26 Favored 'Trans proline' 0 C--N 1.375 1.925 0 C-N-CA 123.376 2.717 . . . . 72.34 113.15 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.2 m 66.01 16.79 10.6 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.261 1.424 . . . . 74.31 112.973 175.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.33 157.14 39.62 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.096 0.959 . . . . 74.34 109.215 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.8 -53.84 35.11 Favored Glycine 0 C--N 1.35 1.359 0 O-C-N 123.88 0.738 . . . . 55.14 111.948 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.8 pp -98.41 -175.9 3.23 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.576 0.75 . . . . 74.04 109.324 170.118 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.2 t -110.19 97.99 33.19 Favored Pre-proline 0 CA--C 1.552 1.04 0 N-CA-C 108.705 -0.85 . . . . 73.42 108.705 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.449 ' HG2' ' HB2' ' A' ' 98' ' ' PHE . 95.1 Cg_endo -87.48 53.77 2.58 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 123.245 2.63 . . . . 74.41 111.221 174.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -98.84 53.64 1.0 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 122.164 0.983 . . . . 75.13 108.476 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.16 94.27 0.8 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.971 -1.252 . . . . 74.04 109.971 170.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 m -63.42 91.12 0.05 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.737 0.815 . . . . 74.22 110.553 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 148.25 -40.89 0.92 Allowed Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.057 -0.974 . . . . 64.03 111.066 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.55 145.83 9.88 Favored Glycine 0 C--N 1.356 1.651 0 N-CA-C 113.816 0.286 . . . . 60.33 113.816 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mp -118.47 161.93 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 N-CA-C 107.606 -1.257 . . . . 75.33 107.606 173.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.96 132.79 36.82 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.209 0.604 . . . . 63.4 110.598 176.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.6 -170.59 38.7 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 113.63 0.212 . . . . 63.44 113.63 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 24.2 t -72.35 -16.47 61.87 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.422 1.089 . . . . 75.03 112.322 -175.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -35.81 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.231 0.612 . . . . 73.53 110.043 173.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.14 -45.09 91.87 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.662 0.785 . . . . 72.2 111.482 175.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 50.7 mt-10 -66.44 -48.88 68.56 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 123.832 0.708 . . . . 71.21 110.758 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.8 t -65.64 -34.21 77.7 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.039 0.212 . . . . 74.21 111.306 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 46.6 t -61.74 -51.01 77.87 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 N-CA-C 108.848 -0.797 . . . . 75.0 108.848 170.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.73 86.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.791 0.836 . . . . 75.34 112.547 -175.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 18.5 mmt180 -76.25 -54.24 7.07 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.8 0.44 . . . . 74.51 110.337 -175.751 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -67.88 -27.07 66.35 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.392 0.432 . . . . 73.14 111.395 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -75.75 -41.93 51.87 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.211 0.605 . . . . 70.03 110.508 176.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.1 73.04 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.337 0.398 . . . . 71.25 109.935 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -60.12 -44.35 94.96 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.428 0.691 . . . . 75.31 111.128 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.94 -57.13 14.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.744 0.418 . . . . 72.44 110.388 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 28.8 m -59.05 -35.7 73.78 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.106 0.962 . . . . 75.51 111.951 -175.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -71.19 -49.94 38.36 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.694 0.797 . . . . 73.3 111.591 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.426 HD13 HD22 ' A' ' 34' ' ' LEU . 10.4 mp -69.17 -21.96 63.95 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.742 0.417 . . . . 63.32 111.097 175.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.78 -43.36 16.83 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.967 0.907 . . . . 64.14 110.808 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.8 t -69.93 -31.89 69.88 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 109.068 -0.716 . . . . 63.51 109.068 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.552 ' HG2' HD21 ' A' ' 450' ' ' LEU . 26.3 ttt -62.55 -46.42 88.45 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 123.801 0.688 . . . . 70.1 109.608 171.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.523 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 17.4 ttm -62.67 -50.62 70.44 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.234 0.958 . . . . 75.02 112.366 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 24.3 p -63.78 -38.06 89.7 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.158 0.583 . . . . 71.43 110.792 -176.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -70.35 -44.67 67.68 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 115.896 -0.593 . . . . 74.24 111.055 174.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.552 HD21 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -71.85 -19.13 62.01 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 118.016 0.371 . . . . 74.11 110.924 -176.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -74.8 -49.27 21.38 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.991 0.916 . . . . 75.43 109.158 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -60.46 -44.78 95.51 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-N 115.201 -0.909 . . . . 72.33 110.583 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.435 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 63.0 p -64.45 -59.56 4.2 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 118.108 -0.949 . . . . 63.34 109.736 -177.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 80.9 p -52.39 -30.47 29.3 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.576 0.75 . . . . 75.44 112.585 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.4 t -60.62 -65.3 0.71 Allowed 'General case' 0 CA--C 1.548 0.899 0 O-C-N 123.677 0.611 . . . . 73.24 110.714 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -71.13 -18.33 62.52 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.645 0.609 . . . . 74.4 112.645 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.547 HD21 HG23 ' A' ' 44' ' ' ILE . 70.6 mt -77.19 -39.12 49.94 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.95 0.9 . . . . 73.23 111.22 177.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 12.3 t -72.44 -33.16 66.88 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 109.839 -0.43 . . . . 74.12 109.839 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -65.0 -46.56 80.91 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.591 0.557 . . . . 74.23 109.919 171.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -57.75 -44.05 85.84 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.545 1.138 . . . . 62.34 110.925 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -63.39 -55.37 24.96 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 124.09 0.869 . . . . 73.14 110.784 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 34.7 m -60.09 -37.47 80.03 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 124.13 0.894 . . . . 75.14 111.582 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.51 -50.63 20.49 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.091 0.556 . . . . 61.14 111.259 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' MET . . . . . 0.45 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.8 ttm -61.65 -35.57 78.3 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.375 0.67 . . . . 74.4 110.936 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -81.26 -66.03 0.94 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.327 -0.851 . . . . 55.14 109.117 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.04 79.53 1.8 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.419 0.688 . . . . 71.55 111.667 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.561 1.397 0 O-C-N 121.818 -0.551 . . . . 62.23 111.295 168.739 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.596 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 24.7 ptt? . . . . . 0 CA--C 1.557 1.236 0 CA-C-O 121.761 0.791 . . . . 74.4 110.416 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.6 p -74.36 -47.81 31.89 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.153 0.581 . . . . 74.45 111.193 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -63.73 -32.5 74.01 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 115.804 -0.635 . . . . 42.33 110.445 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.596 ' HB ' ' HB2' ' A' ' 1' ' ' MET . 36.4 m -81.0 -33.81 33.41 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.884 -0.598 . . . . 74.31 111.855 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.91 -42.02 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 118.933 0.788 . . . . 74.24 110.19 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.96 -34.26 75.05 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.6 0.36 . . . . 73.41 110.506 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 4' ' ' THR . 46.0 t80 -53.34 -53.63 48.32 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.171 0.989 . . . . 75.25 110.818 170.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.475 HG12 HG22 ' A' ' 60' ' ' ILE . 92.3 mt -54.2 -57.72 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 124.025 0.93 . . . . 75.14 110.72 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.51 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 74.8 m-20 -58.82 -47.41 84.89 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.916 -1.493 . . . . 71.4 111.515 -172.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.475 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.2 mtm180 -72.49 -35.03 68.07 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 118.626 -0.702 . . . . 74.12 111.949 -175.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -65.87 -36.32 83.11 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 118.676 0.671 . . . . 72.24 110.839 173.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -58.66 -44.87 90.29 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 123.798 0.687 . . . . 74.25 109.717 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 21.3 mmt180 -63.97 -42.15 97.35 Favored 'General case' 0 C--N 1.358 0.974 0 O-C-N 123.465 0.478 . . . . 75.12 110.384 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 10' ' ' ARG . 95.9 mt -60.52 -43.7 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 123.876 0.87 . . . . 71.44 110.737 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.78 77.2 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.697 0.399 . . . . 71.43 111.715 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.82 -35.11 78.04 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.919 0.488 . . . . 75.3 111.165 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 79.6 mt -72.61 -49.17 33.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.548 0.739 . . . . 74.33 110.522 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.8 p -56.27 -40.14 73.77 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.971 0.794 . . . . 75.21 110.487 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -64.82 -47.16 79.03 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.235 0.96 . . . . 73.32 111.264 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.425 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.2 m -58.67 -56.98 15.17 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.377 0.671 . . . . 72.23 111.065 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.71 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -74.44 -19.41 60.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.009 0.524 . . . . 65.51 112.068 -174.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.3 -47.89 82.29 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.316 -0.624 . . . . 73.03 109.316 170.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.91 -42.56 98.3 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 114.548 -1.206 . . . . 73.2 110.464 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 20' ' ' SER . 55.9 mt -68.86 -32.1 71.53 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.85 0.86 . . . . 73.14 111.446 -178.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.424 ' HB1' HD11 ' A' ' 33' ' ' LEU . . . -72.48 -48.51 40.17 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.779 0.832 . . . . 63.33 111.06 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -70.79 -26.99 63.58 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.682 0.393 . . . . 75.23 111.048 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -79.14 -21.17 46.91 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.923 0.889 . . . . 70.53 112.027 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.05 6.41 71.8 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 119.975 -0.347 . . . . 62.13 113.705 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -79.55 80.24 5.95 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.206 -0.664 . . . . 75.45 109.206 172.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.427 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 42.3 m95 -68.35 -38.81 81.81 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 114.81 -1.087 . . . . 75.53 111.512 -175.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.37 -38.01 70.85 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.671 0.788 . . . . 63.31 111.206 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.4 mt -80.61 -32.91 36.21 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.401 -0.818 . . . . 74.12 110.995 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.71 HD12 ' HB2' ' A' ' 21' ' ' LEU . 42.9 tp -60.35 -37.95 82.31 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.553 0.741 . . . . 75.2 110.291 171.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 87.2 mt -78.03 -32.34 50.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.639 1.175 . . . . 72.32 110.886 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.4 -44.05 96.08 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.441 -0.799 . . . . 71.43 109.587 173.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -89.07 -10.41 47.53 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.492 -0.777 . . . . 75.04 112.514 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -57.56 -55.78 30.36 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.129 0.572 . . . . 75.43 110.15 173.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.2 m -61.46 -41.39 89.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.831 -1.077 . . . . 75.05 111.576 -174.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 p -72.38 -43.5 63.89 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.721 0.809 . . . . 74.25 111.075 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.05 -56.21 14.37 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.417 1.087 . . . . 73.13 111.722 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.11 -37.53 87.8 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.41 -0.814 . . . . 74.11 110.46 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -55.15 -46.45 75.72 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 123.773 0.671 . . . . 63.13 111.558 172.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.3 m -61.28 -42.13 98.12 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 123.341 0.657 . . . . 72.33 111.413 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.4 HG23 HD21 ' A' ' 457' ' ' LEU . 56.9 mt -66.9 -41.22 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 116.019 -0.537 . . . . 75.11 110.323 177.493 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.67 -32.13 72.59 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.389 0.675 . . . . 55.33 111.516 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -84.75 -27.77 26.7 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 111.965 0.357 . . . . 74.11 111.965 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.479 HG23 ' HG2' ' A' ' 48' ' ' MET . 35.5 m -75.92 -32.85 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 121.75 -0.594 . . . . 75.25 110.386 170.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.525 ' HE3' ' HG2' ' A' ' 460' ' ' GLN . 17.2 mmt -98.75 0.02 43.62 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.547 0.944 . . . . 74.33 113.547 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.27 -31.15 63.91 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.692 -0.855 . . . . 74.32 108.692 166.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -35.73 16.07 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 114.262 -1.335 . . . . 71.52 108.621 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 69.84 59.13 0.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.115 1.366 . . . . 72.52 110.812 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.2 m 64.8 114.07 0.02 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.789 1.236 . . . . 70.31 112.944 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -67.45 129.28 19.84 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.627 2.218 . . . . 73.42 111.761 170.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.16 99.33 1.25 Allowed 'Trans proline' 0 C--N 1.37 1.7 0 C-N-CA 122.805 2.337 . . . . 74.21 109.967 171.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.84 42.28 0.02 OUTLIER Glycine 0 C--N 1.336 0.558 0 N-CA-C 110.2 -1.16 . . . . 74.41 110.2 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -110.59 116.08 51.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.179 0.992 . . . . 75.12 108.534 -173.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 t -76.07 175.95 8.44 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 117.807 0.276 . . . . 74.33 110.622 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 59' ' ' SER . 5.2 ppt_? -65.98 -30.02 70.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.596 0.758 . . . . 73.34 111.952 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 35.2 t -73.81 -44.02 57.09 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.198 0.599 . . . . 54.42 110.696 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.505 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 95.5 mt -72.62 -41.54 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.576 0.75 . . . . 74.44 110.266 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.405 ' HG3' ' HG2' ' A' ' 464' ' ' MET . 35.7 tt0 -60.98 -37.08 81.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.223 1.009 . . . . 73.43 110.46 176.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.05 -51.19 65.3 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.714 0.806 . . . . 75.44 110.159 175.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.505 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 55.5 mtm -58.8 -57.06 14.71 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.289 0.636 . . . . 74.41 111.0 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.4 m -68.25 -27.06 35.58 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.017 0 CA-C-N 115.876 -0.602 . . . . 71.41 111.976 -175.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.32 90.66 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 118.287 0.494 . . . . 71.32 109.775 171.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -64.17 -45.31 94.02 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 115.731 -0.668 . . . . 63.22 112.201 172.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -65.24 -37.31 86.84 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.458 0.703 . . . . 72.3 112.128 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 64' ' ' VAL . 83.4 mt -72.28 -41.07 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.708 -0.849 . . . . 75.2 108.708 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -58.32 -41.35 84.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.338 0.655 . . . . 73.51 111.037 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 23.5 mt-30 -63.0 -53.19 57.89 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.578 -0.737 . . . . 75.43 109.917 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -28.15 68.15 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 114.947 -1.024 . . . . 75.12 111.069 -171.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.42 -48.54 55.56 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.628 0.771 . . . . 74.12 110.665 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.46 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 18.4 t70 -55.52 -54.22 46.67 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 124.162 0.914 . . . . 70.31 110.262 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.435 ' N ' HD21 ' A' ' 74' ' ' ASN . 0.8 OUTLIER -64.24 -42.3 96.59 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.838 -1.074 . . . . 74.02 111.172 -174.574 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.548 ' HA ' HD13 ' A' ' 78' ' ' LEU . 37.5 tt0 -74.81 -26.32 59.65 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.979 0.912 . . . . 74.43 111.516 -177.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -71.6 -39.27 70.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.311 0.644 . . . . 73.11 109.749 171.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 89.1 mt -67.11 -33.64 75.89 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.866 -0.606 . . . . 72.52 110.187 176.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.548 HD13 ' HA ' ' A' ' 75' ' ' GLU . 87.6 mt -63.54 -44.71 93.42 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.221 0.608 . . . . 72.05 110.122 172.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -53.81 -54.71 34.52 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.396 0.678 . . . . 74.51 110.575 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -49.05 52.42 Favored Glycine 0 C--N 1.351 1.365 0 O-C-N 123.77 0.669 . . . . 73.41 113.669 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.43 -54.52 35.34 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.994 0.918 . . . . 72.42 109.931 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.422 HD22 HD21 ' A' ' 443' ' ' LEU . 76.8 mt -67.72 -25.2 65.53 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.016 0.526 . . . . 74.14 111.328 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.39 -43.34 94.74 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.282 0.492 . . . . 71.02 110.829 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.35 -49.07 79.24 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.878 0.736 . . . . 75.22 109.54 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.423 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 1.2 mmp_? -57.7 -50.76 72.12 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.255 0.972 . . . . 74.45 111.734 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.622 HD22 ' HB2' ' A' ' 443' ' ' LEU . 95.9 mt -71.87 -25.19 61.84 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.896 0.878 . . . . 74.14 112.263 -176.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.1 -37.8 72.39 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.454 -0.572 . . . . 71.24 109.454 174.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.438 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 34.8 mt-10 -69.6 -47.39 63.68 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.864 0.866 . . . . 75.21 110.403 175.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.542 HD11 HD23 ' A' ' 86' ' ' LEU . 96.0 mt -62.13 -44.12 97.34 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.786 0.834 . . . . 73.2 110.462 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.1 t -69.14 -32.82 72.45 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.129 0.572 . . . . 64.02 111.308 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.1 t -64.41 -38.02 89.58 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.336 0.654 . . . . 62.51 110.124 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 93.5 mt -69.76 -48.67 58.48 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.528 -0.76 . . . . 75.24 110.037 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 89' ' ' LEU . 95.8 mt -60.44 -40.73 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 124.522 1.129 . . . . 74.53 110.976 -177.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.55 -25.53 63.31 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.191 -0.459 . . . . 72.1 113.622 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -93.34 -50.73 5.32 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.646 0.778 . . . . 72.0 110.741 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.566 HG21 HG22 ' A' ' 433' ' ' VAL . 22.4 m -79.89 -26.71 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.491 0.716 . . . . 73.24 112.404 -167.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 tt -91.63 114.56 27.13 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 107.265 -1.383 . . . . 70.22 107.265 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -85.27 94.69 8.98 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.165 -1.05 . . . . 72.12 108.165 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -87.02 -14.89 40.31 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.027 0.531 . . . . 74.53 111.942 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.609 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . -165.34 -77.97 0.03 OUTLIER Glycine 0 C--N 1.346 1.089 0 N-CA-C 111.555 -0.618 . . . . 74.41 111.555 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.54 -168.61 0.64 Allowed 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 123.441 2.761 . . . . 61.33 111.864 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.2 m 66.08 21.91 11.18 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.401 1.08 . . . . 73.33 111.12 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -156.19 175.14 14.37 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.617 1.167 . . . . 74.32 109.98 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.36 -49.85 8.92 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 112.003 -0.439 . . . . 74.11 112.003 176.102 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 pp -108.32 -177.52 3.35 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.325 1.05 . . . . 72.2 109.849 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.609 HG13 ' HA2' ' A' ' 100' ' ' GLY . 86.7 t -92.29 101.42 4.86 Favored Pre-proline 0 CA--C 1.554 1.122 0 N-CA-C 108.656 -0.868 . . . . 74.33 108.656 174.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -81.13 26.79 0.59 Allowed 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 123.813 3.008 . . . . 73.21 113.275 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.3 ttp85 -72.89 92.09 1.58 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.795 0.838 . . . . 75.24 109.737 172.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.32 107.81 0.35 Allowed Glycine 0 C--N 1.338 0.664 0 N-CA-C 110.704 -0.958 . . . . 62.2 110.704 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.6 m -75.84 85.63 2.8 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.26 0.624 . . . . 55.44 110.159 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -169.47 -60.54 0.03 OUTLIER Glycine 0 C--N 1.336 0.541 0 N-CA-C 110.473 -1.051 . . . . 52.12 110.473 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.67 149.79 10.34 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 113.616 0.206 . . . . 55.52 113.616 177.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.2 146.7 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 107.071 -1.455 . . . . 61.32 107.071 172.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.34 137.02 48.11 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.636 0.653 . . . . 74.1 111.025 176.183 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.54 173.35 30.91 Favored Glycine 0 C--N 1.352 1.447 0 CA-C-N 116.322 -0.399 . . . . 71.34 113.018 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 29.5 t -72.44 -9.61 58.75 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.502 1.121 . . . . 72.42 111.993 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -38.57 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.991 0.917 . . . . 63.35 110.075 168.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.73 -42.98 90.06 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 123.812 0.845 . . . . 70.44 111.016 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.6 mt-10 -64.79 -56.85 11.02 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 123.966 0.791 . . . . 73.51 111.014 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 14.1 t -63.05 -40.87 98.99 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 123.447 0.467 . . . . 75.11 111.968 -174.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . 0.566 HG22 HG21 ' A' ' 96' ' ' VAL . 82.6 t -67.43 -37.13 78.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 122.83 0.452 . . . . 75.24 110.177 177.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.96 82.18 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.197 0.599 . . . . 71.55 111.376 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 23.1 mmt180 -68.32 -47.47 67.44 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 109.723 -0.473 . . . . 74.23 109.723 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -63.58 -37.41 87.22 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.68 0.392 . . . . 75.53 111.246 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -71.54 -33.98 69.61 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.217 1.007 . . . . 75.15 110.296 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.1 -55.97 15.67 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 109.639 -0.504 . . . . 51.13 109.639 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 21.1 mm-40 -61.83 -35.21 77.58 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.693 -0.685 . . . . 75.3 110.681 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.92 -63.93 0.99 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 115.999 -0.546 . . . . 64.33 110.192 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 35.0 m -60.48 -40.38 91.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.755 0.822 . . . . 74.51 112.166 -172.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.42 -50.93 49.16 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.573 0.749 . . . . 72.1 111.312 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.622 ' HB2' HD22 ' A' ' 86' ' ' LEU . 8.6 mp -72.18 -20.51 61.58 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 121.997 0.119 . . . . 71.12 111.005 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -78.12 -44.4 26.2 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.945 0.898 . . . . 64.22 111.033 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 t -72.19 -33.02 67.32 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.509 -0.552 . . . . 73.23 109.509 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.601 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.1 ttt -61.01 -43.86 98.27 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.937 0.773 . . . . 73.03 109.356 171.704 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.578 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 46.7 ttm -65.05 -47.41 77.43 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.087 0.867 . . . . 75.0 111.684 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 18.7 m -59.0 -41.43 87.68 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.225 0.536 . . . . 75.1 110.545 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.405 ' O ' HG21 ' A' ' 453' ' ' THR . 58.1 mtpt -69.05 -49.46 57.25 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.9 -1.045 . . . . 71.44 110.661 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.601 HD22 ' HG2' ' A' ' 446' ' ' MET . 3.2 pp -72.36 -19.44 61.63 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.758 0.313 . . . . 74.11 111.623 -173.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -76.19 -48.5 20.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.862 0.865 . . . . 72.21 109.226 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -64.32 -38.32 90.62 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 115.232 -0.895 . . . . 61.0 110.504 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.435 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 54.2 p -65.85 -60.62 2.69 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 118.386 -0.816 . . . . 73.43 109.418 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.7 p -52.36 -30.3 28.13 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.521 0.728 . . . . 75.14 112.144 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.408 ' O ' HG21 ' A' ' 458' ' ' THR . 44.0 t -58.71 -66.83 0.43 Allowed 'General case' 0 CA--C 1.551 1.019 0 O-C-N 123.8 0.687 . . . . 71.31 110.627 171.392 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -71.48 -20.42 62.08 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.944 0.72 . . . . 74.41 112.944 -176.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.4 HD21 HG23 ' A' ' 44' ' ' ILE . 69.3 mt -73.25 -41.37 63.77 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.72 0.808 . . . . 74.51 110.368 178.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.408 HG21 ' O ' ' A' ' 455' ' ' SER . 6.7 t -72.84 -33.54 66.22 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.129 0.268 . . . . 75.13 110.518 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.02 -43.63 91.81 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.171 -0.468 . . . . 75.5 109.92 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . 0.525 ' HG2' ' HE3' ' A' ' 48' ' ' MET . 25.9 tp60 -70.2 -31.32 68.71 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.324 -0.853 . . . . 72.52 110.754 177.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.81 -56.58 14.39 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.164 0.585 . . . . 72.2 109.717 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 25.1 m -63.92 -32.74 74.37 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 123.864 0.728 . . . . 71.11 111.756 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.47 -51.45 20.1 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.027 0.442 . . . . 74.11 111.095 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' MET . . . . . 0.405 ' HG2' ' HG3' ' A' ' 61' ' ' GLN . 50.5 ttm -64.74 -34.64 78.82 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.388 -0.824 . . . . 74.13 110.559 -177.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -75.97 -67.9 0.63 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.721 -0.844 . . . . 64.31 108.721 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . 0.524 ' HB3' ' HZ2' ' A' ' 466' ' ' LYS . 0.0 OUTLIER -122.79 80.5 1.76 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.407 0.683 . . . . 75.41 111.209 177.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 CA--C 1.566 1.574 0 C-N-CA 124.107 0.963 . . . . 75.51 112.268 163.3 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.448 -0.575 . . . . 74.22 109.448 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.5 p -62.56 -50.47 71.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.641 0.776 . . . . 74.4 111.63 -174.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -62.39 -41.07 98.38 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.043 0.937 . . . . 62.45 111.229 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.428 ' O ' HG13 ' A' ' 8' ' ' ILE . 62.2 m -75.18 -38.69 60.75 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.137 -0.938 . . . . 73.43 112.076 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.89 -40.5 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 118.459 0.572 . . . . 75.22 110.562 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.15 -36.27 79.4 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 110.144 -0.317 . . . . 75.53 110.144 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.403 ' HB3' ' O ' ' A' ' 4' ' ' THR . 50.3 t80 -54.28 -52.23 62.1 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.713 0.805 . . . . 74.23 110.501 170.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 4' ' ' THR . 97.4 mt -61.44 -56.99 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.004 0.922 . . . . 74.0 111.619 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 50.5 m-80 -59.44 -42.47 92.0 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.824 0.703 . . . . 73.21 112.115 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.46 ' O ' HG13 ' A' ' 14' ' ' ILE . 86.4 mtm180 -75.71 -37.97 59.0 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 118.663 -0.685 . . . . 72.24 111.715 -175.325 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.415 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 53.3 m95 -63.97 -36.92 85.56 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 118.763 0.71 . . . . 72.5 110.827 172.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.445 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.6 tt0 -59.28 -46.23 89.11 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 114.804 -1.089 . . . . 72.41 109.038 174.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 82.2 mmt-85 -59.21 -50.74 72.84 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 123.682 0.614 . . . . 74.23 110.275 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.7 mt -53.31 -44.3 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 124.192 0.997 . . . . 74.35 111.73 -175.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.14 -43.87 55.84 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.785 0.661 . . . . 72.13 112.785 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 89.6 mt -65.15 -38.63 91.21 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.083 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.489 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 95.7 mt -75.1 -42.53 56.39 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.823 0.849 . . . . 74.34 110.341 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.473 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.8 p -58.8 -41.48 86.87 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.627 0.579 . . . . 63.21 110.587 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -64.98 -46.49 81.25 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.157 -0.929 . . . . 73.35 110.552 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -54.6 -59.87 4.12 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.839 0.712 . . . . 73.43 111.437 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.566 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -72.32 -23.32 61.14 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 115.684 -0.689 . . . . 74.02 112.207 -173.304 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.41 ' HA ' HD21 ' A' ' 78' ' ' LEU . 57.1 tp -59.64 -53.49 57.47 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 109.418 -0.586 . . . . 74.32 109.418 171.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.48 ' HA ' HE21 ' A' ' 26' ' ' GLN . 43.6 mt-10 -65.57 -38.04 88.41 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.121 -0.945 . . . . 74.41 111.011 -178.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 21' ' ' LEU . 86.1 mt -59.91 -41.96 92.84 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.602 0.761 . . . . 74.34 110.694 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.485 ' HB3' HD11 ' A' ' 33' ' ' LEU . . . -63.15 -45.95 89.48 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.584 0.754 . . . . 72.52 111.07 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.48 HE21 ' HA ' ' A' ' 23' ' ' GLU . 19.0 mt-30 -65.35 -28.25 69.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.719 0.808 . . . . 72.42 111.485 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -79.95 -24.04 41.26 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.088 0.955 . . . . 75.53 111.047 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.24 0.09 50.78 Favored Glycine 0 C--N 1.349 1.252 0 O-C-N 123.487 0.492 . . . . 71.03 112.994 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.82 79.11 3.41 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.509 0.724 . . . . 75.2 109.866 172.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -71.79 -30.84 65.97 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 115.16 -0.927 . . . . 72.52 110.322 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.22 -41.18 81.65 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.152 0.581 . . . . 72.31 110.074 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HB3' HD12 ' A' ' 24' ' ' LEU . 64.2 mt -74.57 -31.76 62.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.176 0.59 . . . . 75.41 111.313 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 21' ' ' LEU . 27.9 tp -56.25 -45.54 79.98 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.6 0.76 . . . . 74.31 110.25 168.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 77.7 mt -80.46 -21.24 42.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.43 1.092 . . . . 74.22 112.237 -178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -72.46 -37.36 68.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.26 -0.644 . . . . 74.2 109.26 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -88.55 -13.94 38.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.322 -0.853 . . . . 72.21 112.128 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.34 -57.02 10.03 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.077 0.951 . . . . 73.15 110.777 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 m -57.72 -44.41 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 114.672 -1.149 . . . . 72.22 111.115 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -61.64 -48.15 82.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.965 0.906 . . . . 72.32 111.243 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.6 t80 -67.69 -61.54 1.84 Allowed 'General case' 0 C--O 1.244 0.774 0 C-N-CA 125.488 1.515 . . . . 73.11 111.475 -171.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.43 -42.24 95.66 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 124.047 0.842 . . . . 75.32 111.006 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -55.97 -47.24 78.01 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.673 0.608 . . . . 75.04 111.484 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -59.08 -42.23 89.91 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 123.882 0.738 . . . . 74.21 111.81 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.53 HG21 HD22 ' A' ' 457' ' ' LEU . 64.0 mt -63.65 -46.63 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-O 121.372 0.606 . . . . 72.31 110.568 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.65 -43.13 97.97 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.038 -0.983 . . . . 62.43 111.602 -177.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -77.34 -36.62 53.67 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 112.056 0.391 . . . . 71.01 112.056 -174.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.07 -33.17 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 CA-C-N 118.169 0.44 . . . . 63.45 111.298 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.467 ' HE1' ' HG2' ' A' ' 460' ' ' GLN . 20.1 mmt -85.34 -29.37 24.55 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.375 0.509 . . . . 75.14 112.375 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.33 -34.24 76.92 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.42 0.629 . . . . 64.41 110.07 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -35.54 25.68 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.054 -0.975 . . . . 75.51 108.577 173.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 73.66 149.23 0.1 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.497 1.519 . . . . 74.24 111.052 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.5 m -48.84 116.82 5.68 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 124.959 1.304 . . . . 71.33 111.775 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -65.71 149.1 87.35 Favored 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.472 2.115 . . . . 70.12 111.432 174.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -67.36 -20.89 48.06 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.811 2.34 . . . . 75.24 113.01 179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.01 59.79 4.91 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 116.433 -0.349 . . . . 61.24 112.891 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.9 mm -119.66 113.64 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 N-CA-C 107.969 -1.122 . . . . 64.13 107.969 174.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 t -75.02 173.89 10.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.977 0.511 . . . . 74.42 110.271 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.425 ' HD2' ' N ' ' A' ' 59' ' ' SER . 1.2 ppt_? -66.85 -23.99 66.09 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.437 0.695 . . . . 73.43 111.731 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.425 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 37.2 t -70.04 -55.49 9.4 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.153 0.581 . . . . 64.3 110.291 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.1 -35.64 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.38 1.072 . . . . 52.34 110.955 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.76 -42.07 98.51 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.317 1.047 . . . . 74.11 110.754 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.62 -45.98 81.03 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.204 0.602 . . . . 73.3 110.848 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.2 mtp -52.55 -58.25 7.36 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.676 1.19 . . . . 71.44 110.892 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.9 m -74.31 -22.25 17.86 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-N 115.347 -0.842 . . . . 63.43 112.257 -178.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.56 -38.7 91.07 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 118.392 0.542 . . . . 75.01 109.555 170.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.53 -41.74 89.72 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.498 -0.774 . . . . 75.42 111.845 173.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -65.73 -40.91 92.63 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.123 0.569 . . . . 73.33 112.522 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 64' ' ' VAL . 54.5 mt -74.62 -36.13 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 109.417 -0.586 . . . . 74.52 109.417 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.47 -43.18 99.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.682 0.393 . . . . 75.51 110.933 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.21 -50.41 73.2 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.807 -0.633 . . . . 71.33 110.435 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.489 HG21 ' HA ' ' A' ' 68' ' ' ILE . 4.3 t -67.37 -33.97 76.32 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 123.721 0.638 . . . . 75.13 111.226 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.92 -42.86 89.61 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.214 0.606 . . . . 72.31 111.206 175.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.77 -58.28 9.23 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.081 0.863 . . . . 74.41 110.297 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.58 -43.29 99.14 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.896 -1.047 . . . . 75.44 111.518 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.549 ' HA ' HD13 ' A' ' 78' ' ' LEU . 36.5 tt0 -73.32 -26.09 60.9 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.063 0.945 . . . . 62.52 111.867 -176.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -73.26 -39.04 65.72 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.227 0.611 . . . . 73.23 110.376 173.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.64 -33.95 74.9 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.7 -0.682 . . . . 75.23 110.181 176.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.549 HD13 ' HA ' ' A' ' 75' ' ' GLU . 91.3 mt -65.15 -42.31 93.89 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.51 0.724 . . . . 74.34 110.177 171.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -53.98 -53.69 49.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.308 0.643 . . . . 75.0 110.179 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.44 -51.46 52.15 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.819 0.699 . . . . 72.25 113.502 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.78 -56.29 21.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.99 0.916 . . . . 75.2 110.832 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.7 mt -63.45 -30.89 71.94 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.711 -0.677 . . . . 72.0 111.131 -178.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.74 -39.9 94.41 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 118.142 0.428 . . . . 75.04 110.973 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -60.47 -47.75 84.78 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.709 0.63 . . . . 72.54 109.939 175.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.33 -47.47 85.78 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 115.115 -0.948 . . . . 74.35 111.827 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.58 -32.07 73.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.565 0.746 . . . . 74.25 111.329 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -68.31 -48.8 63.97 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.285 0.634 . . . . 72.22 110.44 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 42.2 mt-10 -63.06 -49.43 74.55 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.5 -0.773 . . . . 75.3 110.645 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 93' ' ' ILE . 94.1 mt -61.23 -43.52 98.75 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.738 0.815 . . . . 63.43 111.017 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.3 t -67.3 -33.32 75.04 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.332 0.653 . . . . 75.25 111.733 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 26.9 t -68.0 -38.3 82.48 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.685 -0.487 . . . . 73.4 109.685 177.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.8 mt -67.59 -42.57 82.27 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.538 -0.756 . . . . 71.14 110.596 176.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 89' ' ' LEU . 92.6 mt -60.19 -38.94 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 123.886 0.874 . . . . 75.12 110.156 175.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.02 -30.19 74.81 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.653 -0.703 . . . . 72.32 113.31 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 91' ' ' SER . 12.5 mm100 -88.47 -43.69 11.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.274 0.63 . . . . 75.31 111.403 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.543 HG21 HG23 ' A' ' 433' ' ' VAL . 23.3 m -87.78 -33.99 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 112.521 0.563 . . . . 73.43 112.521 -167.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 tt -91.43 116.32 28.75 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.328 -0.99 . . . . 73.32 108.328 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -84.7 86.36 7.34 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 108.93 -0.767 . . . . 72.44 108.93 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -21.49 60.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.323 0.649 . . . . 75.32 112.357 -172.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.452 ' HA2' HG12 ' A' ' 106' ' ' VAL . . . -158.12 -74.46 0.02 OUTLIER Glycine 0 C--N 1.347 1.168 0 CA-C-O 119.568 -0.573 . . . . 74.24 111.922 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.52 -165.72 0.32 Allowed 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.252 2.634 . . . . 74.52 112.491 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.6 m 70.42 31.37 3.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.133 1.373 . . . . 74.31 112.32 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -161.1 178.73 9.03 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.175 0.99 . . . . 63.45 109.947 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.81 -46.67 13.44 Favored Glycine 0 C--N 1.348 1.196 0 N-CA-C 112.151 -0.38 . . . . 64.21 112.151 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 pp -107.19 171.15 7.53 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.171 0.988 . . . . 74.25 109.397 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.452 HG12 ' HA2' ' A' ' 100' ' ' GLY . 42.1 t -81.99 107.89 9.83 Favored Pre-proline 0 CA--C 1.554 1.099 0 N-CA-C 108.941 -0.763 . . . . 72.21 108.941 175.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -86.66 42.7 0.93 Allowed 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 123.776 2.984 . . . . 74.33 111.708 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -73.11 83.03 1.29 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.587 0.755 . . . . 72.44 109.025 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.84 57.28 0.32 Allowed Glycine 0 C--N 1.342 0.915 0 N-CA-C 110.707 -0.957 . . . . 72.34 110.707 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.8 m -69.91 88.1 0.56 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.546 1.139 . . . . 65.24 111.445 -175.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 163.64 -35.03 0.3 Allowed Glycine 0 C--N 1.342 0.909 0 CA-C-N 115.912 -0.585 . . . . 74.42 112.841 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.99 73.65 0.35 Allowed Glycine 0 C--N 1.352 1.46 0 CA-C-N 116.538 0.169 . . . . 72.13 113.147 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.4 mp -94.51 155.41 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 108.334 -0.988 . . . . 64.25 108.334 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.69 146.63 31.0 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.973 -0.455 . . . . 73.15 109.953 174.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.6 -178.77 48.91 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.422 -0.353 . . . . 71.33 112.869 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 14.1 t -79.59 -10.95 59.88 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.63 0.772 . . . . 75.23 111.83 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -35.97 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 123.971 0.909 . . . . 70.21 109.983 171.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.35 -47.59 69.25 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.177 0.991 . . . . 73.24 111.17 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 36.1 mt-10 -70.31 -47.11 62.64 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.255 -0.884 . . . . 73.41 111.533 -173.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.6 t -66.19 -39.86 89.99 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 117.783 0.265 . . . . 74.25 111.383 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . 0.543 HG23 HG21 ' A' ' 96' ' ' VAL . 66.7 t -61.8 -40.36 86.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 N-CA-C 109.767 -0.457 . . . . 73.11 109.767 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.65 -30.9 71.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.434 0.694 . . . . 71.51 111.93 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 64.1 mmt-85 -68.59 -50.18 53.6 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.821 0.448 . . . . 73.15 109.902 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -66.86 -35.82 80.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.163 -0.926 . . . . 73.21 110.894 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -70.77 -40.24 72.74 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.825 0.85 . . . . 75.11 110.38 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.1 -58.16 8.19 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.42 0.45 . . . . 73.24 110.324 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -59.31 -36.15 75.09 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.221 0.608 . . . . 74.31 111.792 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -64.94 -63.88 1.0 Allowed 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.927 -0.397 . . . . 71.0 109.927 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 31.5 m -55.73 -40.33 72.33 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.205 1.002 . . . . 74.54 112.223 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.83 -53.03 30.1 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.668 0.787 . . . . 71.04 111.69 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 8.8 mp -73.52 -19.8 60.82 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.606 0.362 . . . . 71.31 111.354 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -81.0 -44.69 17.71 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.077 0.951 . . . . 75.52 110.735 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.1 t -70.24 -31.67 69.18 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.654 -0.499 . . . . 75.04 109.654 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.581 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.7 ttt -62.63 -41.93 99.31 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 115.771 -0.65 . . . . 72.23 109.378 172.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.662 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 28.6 ttm -66.14 -45.78 79.8 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 124.036 0.835 . . . . 75.32 112.422 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 32.8 p -61.4 -43.56 98.66 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 121.152 0.501 . . . . 72.21 110.622 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -67.93 -44.2 77.39 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 115.319 -0.855 . . . . 74.43 111.539 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.662 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 2.4 pp -73.38 -18.65 61.14 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 117.776 0.262 . . . . 70.42 111.161 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -76.19 -47.71 23.09 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.01 0.524 . . . . 72.32 109.815 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -65.01 -36.99 86.18 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.749 -0.659 . . . . 74.44 110.888 177.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.446 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 48.2 p -64.59 -61.85 1.95 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.673 -0.679 . . . . 75.54 109.371 177.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 61.6 p -50.57 -32.33 18.32 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.683 0.793 . . . . 75.5 112.697 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.3 t -59.95 -62.95 1.49 Allowed 'General case' 0 CA--C 1.546 0.826 0 O-C-N 123.749 0.655 . . . . 64.33 110.869 174.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.466 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 0.9 OUTLIER -71.74 -19.72 62.0 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.664 0.616 . . . . 75.21 112.664 -178.573 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.53 HD22 HG21 ' A' ' 44' ' ' ILE . 81.6 mt -71.11 -42.23 69.54 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.382 0.673 . . . . 74.21 110.851 176.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.6 t -75.77 -32.73 60.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.209 0.204 . . . . 72.11 110.881 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -60.3 -52.3 65.87 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 121.217 0.532 . . . . 74.13 109.622 171.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . 0.467 ' HG2' ' HE1' ' A' ' 48' ' ' MET . 24.9 tp60 -61.19 -41.39 96.73 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 114.615 -1.175 . . . . 75.24 111.403 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.88 -48.74 77.69 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.583 0.353 . . . . 75.32 110.678 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 87.2 m -61.51 -37.59 84.27 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 123.853 0.721 . . . . 74.12 111.833 -177.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.98 -46.15 24.97 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 120.997 0.427 . . . . 73.51 112.041 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' MET . . . . . 0.457 ' SD ' HG21 ' A' ' 64' ' ' VAL . 56.0 ttm -63.91 -34.09 77.17 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.732 0.813 . . . . 73.21 110.869 -177.281 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -81.51 -62.7 1.57 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.346 -0.843 . . . . 75.12 109.623 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 80.96 1.84 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.379 0.609 . . . . 74.01 111.579 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.562 1.418 0 C-N-CA 123.108 0.563 . . . . 63.0 110.54 163.372 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ptt? . . . . . 0 CA--C 1.554 1.116 0 CA-C-O 121.969 0.89 . . . . 73.31 109.664 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p -61.19 -52.25 65.59 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.073 0.949 . . . . 74.3 112.824 -172.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m -67.63 -26.57 66.3 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.907 -0.588 . . . . 62.23 111.078 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 8' ' ' ILE . 58.7 m -78.13 -39.14 42.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.426 0.69 . . . . 75.42 111.663 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.5 p -71.4 -40.03 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 118.243 0.474 . . . . 73.41 110.683 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.07 -37.6 84.28 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 110.575 -0.157 . . . . 75.14 110.575 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.427 ' HB3' ' O ' ' A' ' 4' ' ' THR . 33.6 t80 -50.02 -53.4 27.03 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 123.759 0.823 . . . . 75.43 110.884 168.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.481 HG12 HG22 ' A' ' 60' ' ' ILE . 94.2 mt -57.2 -62.05 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 C-N-CA 124.069 0.948 . . . . 75.43 111.911 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.42 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 55.0 m-80 -61.57 -38.11 86.31 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.355 -0.839 . . . . 74.53 112.137 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' O ' HG13 ' A' ' 14' ' ' ILE . 54.1 mtm180 -72.29 -37.55 68.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 118.654 -0.688 . . . . 74.01 111.058 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -61.93 -39.62 92.7 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 118.5 0.591 . . . . 71.34 111.173 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -55.64 -49.12 73.73 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 123.856 0.722 . . . . 74.45 110.377 172.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.42 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 56.6 mmt-85 -62.1 -38.94 90.78 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.83 -0.623 . . . . 74.12 111.318 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 10' ' ' ARG . 88.8 mt -61.15 -45.62 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.687 0.795 . . . . 71.22 110.88 -177.331 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.51 76.5 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.066 0.395 . . . . 74.51 112.066 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.14 -48.92 77.98 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.297 0.639 . . . . 72.2 111.098 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.6 mt -66.79 -45.79 77.34 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.275 -0.875 . . . . 74.21 110.533 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.483 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 52.6 p -58.4 -43.68 88.66 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.036 0.835 . . . . 65.55 111.591 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -64.73 -45.51 86.18 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.823 0.702 . . . . 74.02 110.991 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.412 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 60.7 m -60.89 -51.66 68.35 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.417 -0.81 . . . . 74.52 111.292 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.65 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.2 pp -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.494 0.317 . . . . 74.11 111.701 -176.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.88 -46.0 91.31 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.257 0.551 . . . . 73.21 109.712 171.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.2 -40.09 94.92 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.616 -1.174 . . . . 73.22 110.6 175.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.445 HD12 ' HB3' ' A' ' 32' ' ' LEU . 59.2 mt -69.02 -28.58 66.7 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.297 0.639 . . . . 73.14 111.647 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -71.39 -46.44 60.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.362 0.665 . . . . 73.05 110.99 178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -74.44 -22.74 58.98 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 122.773 0.429 . . . . 74.31 111.126 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -74.9 -14.71 60.69 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.836 0.854 . . . . 72.52 111.629 172.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.05 9.06 87.22 Favored Glycine 0 C--N 1.351 1.382 0 O-C-N 123.301 0.376 . . . . 74.33 112.779 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -86.07 79.8 9.04 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.172 0.989 . . . . 63.13 109.052 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -71.62 -32.94 68.52 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.29 -0.868 . . . . 74.42 112.21 -172.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -64.09 -43.7 94.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.195 0.521 . . . . 73.53 110.159 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' HB3' HD12 ' A' ' 24' ' ' LEU . 88.3 mt -71.06 -38.77 72.5 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.977 -1.01 . . . . 74.15 110.478 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.65 HD13 ' HB2' ' A' ' 21' ' ' LEU . 43.0 tp -54.29 -49.35 69.83 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.278 1.031 . . . . 75.42 110.828 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.486 HD21 HD11 ' A' ' 443' ' ' LEU . 81.4 mt -76.5 -23.85 53.73 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.091 -0.959 . . . . 73.53 111.94 -176.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -69.74 -37.45 76.46 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.906 -0.405 . . . . 72.35 109.906 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 76.6 mm-40 -82.82 -27.57 30.8 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.129 -0.487 . . . . 65.42 110.971 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 30.0 tt0 -45.27 -57.16 4.18 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 125.491 1.517 . . . . 70.44 112.186 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.28 -44.94 93.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 124.143 0.902 . . . . 74.51 111.601 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -62.82 -43.27 99.24 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.46 0.704 . . . . 74.01 110.629 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.483 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 25.2 t80 -64.92 -64.12 0.94 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.946 1.298 . . . . 74.12 112.169 -174.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.71 -38.52 88.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.806 0.843 . . . . 71.11 111.428 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -64.4 -38.53 91.35 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.123 0.265 . . . . 73.45 110.787 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 69.4 m -64.16 -40.56 96.4 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.007 0.523 . . . . 64.14 111.976 176.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.612 HG21 HD21 ' A' ' 457' ' ' LEU . 84.4 mt -59.31 -50.01 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-O 121.964 0.888 . . . . 74.52 110.102 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.6 -29.26 63.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.285 -0.87 . . . . 75.15 111.238 -175.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 2.3 t -77.1 -30.84 55.52 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 117.653 0.206 . . . . 65.42 111.497 -177.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.7 m -72.84 -31.7 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 109.644 -0.502 . . . . 73.44 109.644 170.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.618 ' HE1' ' HG2' ' A' ' 460' ' ' GLN . 22.0 mmt -79.95 -7.58 58.86 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.044 0.757 . . . . 74.42 113.044 176.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.6 -30.17 70.86 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 120.901 0.382 . . . . 74.32 110.46 167.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -87.95 -7.32 57.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.626 0.771 . . . . 71.33 111.539 175.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 59.7 30.21 19.79 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.951 0.9 . . . . 75.14 111.372 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.6 m 62.34 100.24 0.04 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.597 1.159 . . . . 70.45 110.451 -173.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.487 ' O ' HG12 ' A' ' 56' ' ' ILE . 32.5 Cg_exo -58.02 122.12 11.17 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 122.928 2.419 . . . . 74.14 111.325 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -62.48 -10.04 17.69 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.86 2.374 . . . . 74.52 114.634 -175.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.89 61.17 4.34 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 112.665 -0.174 . . . . 70.02 112.665 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 53' ' ' PRO . 42.0 mm -120.69 114.37 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.417 1.087 . . . . 73.33 108.344 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 t -75.2 166.08 24.19 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.641 -0.503 . . . . 73.53 109.641 173.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.31 -20.82 65.67 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.462 0.541 . . . . 75.44 112.462 -173.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.4 t -69.51 -52.41 26.68 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.036 0.534 . . . . 72.31 110.141 176.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.571 ' HA ' ' HE3' ' A' ' 63' ' ' MET . 96.7 mt -66.01 -43.3 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.108 0.963 . . . . 72.23 110.069 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -49.36 -48.34 46.83 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.753 1.621 . . . . 74.41 111.428 174.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.01 -39.01 72.65 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 123.721 0.638 . . . . 74.52 111.75 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.571 ' HE3' ' HA ' ' A' ' 60' ' ' ILE . 43.2 mtm -60.51 -61.82 2.31 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.439 0.637 . . . . 72.42 110.377 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.545 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.9 m -62.18 -32.57 55.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-N 114.619 -1.173 . . . . 74.53 112.24 -176.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.73 75.71 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 123.1 0.25 . . . . 73.41 110.55 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.34 -40.87 99.22 Favored Glycine 0 C--N 1.354 1.549 0 N-CA-C 111.748 -0.541 . . . . 75.04 111.748 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.456 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 45.7 m-85 -68.73 -36.68 78.72 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.675 0.62 . . . . 75.34 112.675 177.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 64' ' ' VAL . 59.2 mt -70.7 -38.78 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 108.996 -0.742 . . . . 72.31 108.996 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -46.16 84.82 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.732 0.813 . . . . 75.42 109.601 177.072 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -65.11 -42.4 93.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.374 -0.83 . . . . 72.34 111.802 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.419 HG21 ' HA ' ' A' ' 68' ' ' ILE . 1.9 t -72.22 -32.85 67.12 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.065 0.228 . . . . 64.3 110.93 -175.275 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.83 -44.23 86.2 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.672 0.789 . . . . 70.43 110.393 176.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.408 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 12.5 t70 -54.97 -59.16 5.12 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.742 1.276 . . . . 72.45 110.52 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -62.66 -42.61 99.71 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.851 0.719 . . . . 74.4 111.586 -175.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.532 ' HA ' HD13 ' A' ' 78' ' ' LEU . 35.6 tt0 -73.05 -24.35 60.69 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.887 0.875 . . . . 64.42 112.088 -175.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.72 -34.73 60.35 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.433 0.635 . . . . 72.23 110.376 173.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 83.9 mt -73.42 -29.19 62.41 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.51 -0.768 . . . . 63.22 110.39 175.134 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.532 HD13 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -67.3 -43.13 82.47 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.209 0.603 . . . . 72.3 109.584 170.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -53.21 -52.36 59.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.56 0.744 . . . . 71.34 110.081 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.24 -52.44 36.16 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 123.535 0.522 . . . . 75.11 113.693 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.94 -50.65 65.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.751 0.82 . . . . 74.43 110.382 -172.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.21 -26.94 64.11 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.013 -0.539 . . . . 74.34 111.146 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.432 ' N ' ' HE3' ' A' ' 447' ' ' MET . 8.9 tt0 -61.76 -41.54 97.82 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 118.422 0.556 . . . . 75.14 110.36 173.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -58.72 -50.73 72.83 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.105 0.878 . . . . 73.23 109.584 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -57.86 -49.24 77.37 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.184 0.927 . . . . 72.14 111.467 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.05 -36.91 83.09 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.811 0.844 . . . . 74.22 112.007 -175.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.26 -41.7 89.54 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.042 0.537 . . . . 54.55 109.642 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -67.25 -49.02 66.0 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.936 -1.029 . . . . 73.11 110.773 177.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.93 -35.93 82.29 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.757 0.823 . . . . 74.4 111.323 -178.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -63.84 -44.08 94.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.308 0.643 . . . . 63.22 110.134 176.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 22.8 t -64.73 -39.83 94.3 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.698 -0.683 . . . . 74.44 110.909 177.019 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.81 -55.57 25.17 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.408 0.683 . . . . 74.2 111.3 -178.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.77 -34.65 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 124.039 0.837 . . . . 73.1 110.086 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.19 96.93 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 115.665 -0.698 . . . . 75.43 113.727 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 91' ' ' SER . 11.5 mm100 -79.88 -37.04 35.65 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.948 0.374 . . . . 73.45 111.548 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.33 -36.4 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 112.702 0.63 . . . . 75.53 112.702 -172.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.47 111.96 8.11 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 108.239 -1.022 . . . . 74.12 108.239 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -76.61 96.6 4.19 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.327 -0.99 . . . . 74.34 108.327 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.67 12.52 31.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.144 0.577 . . . . 73.31 111.463 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 162.59 -72.67 0.2 Allowed Glycine 0 C--N 1.34 0.794 0 CA-C-O 119.431 -0.65 . . . . 70.44 111.692 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.17 170.01 20.87 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.763 2.309 . . . . 74.5 112.411 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.5 m 63.27 29.91 15.8 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.514 1.125 . . . . 70.15 111.451 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -156.66 146.78 21.15 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 114.783 -1.099 . . . . 75.14 109.757 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.28 -27.36 69.1 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 123.517 0.51 . . . . 63.45 113.45 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pp -127.24 -172.23 2.61 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.154 0.982 . . . . 64.22 109.807 176.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.6 102.91 18.31 Favored Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 108.814 -0.81 . . . . 74.14 108.814 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -84.81 19.91 1.32 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 123.607 2.872 . . . . 65.54 113.116 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -69.94 106.16 3.09 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.023 -0.732 . . . . 74.31 109.023 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -173.1 102.12 0.17 Allowed Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.039 -0.824 . . . . 71.31 111.039 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.7 m -61.02 95.64 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.459 0.704 . . . . 72.41 110.167 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -174.46 -66.96 0.05 OUTLIER Glycine 0 C--N 1.339 0.719 0 N-CA-C 111.011 -0.836 . . . . 75.11 111.011 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.16 126.42 1.14 Allowed Glycine 0 C--N 1.345 1.042 0 CA-C-O 120.115 -0.27 . . . . 70.31 112.429 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.6 mp -91.4 159.68 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 107.645 -1.243 . . . . 73.22 107.645 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -84.82 138.79 32.36 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.43 -0.581 . . . . 73.12 109.43 171.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.38 173.0 36.9 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 112.294 -0.322 . . . . 54.4 112.294 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 16.3 t -69.65 -13.14 62.16 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.73 0.812 . . . . 75.2 112.033 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -35.59 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.761 0.824 . . . . 75.22 110.285 170.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -55.42 -52.76 62.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.715 0.806 . . . . 74.1 111.07 171.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 38.0 mt-10 -66.85 -38.97 87.4 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.615 -1.175 . . . . 73.44 111.112 -173.355 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 6.1 t -70.76 -36.26 73.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 110.199 -0.297 . . . . 74.24 110.199 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.31 -44.52 94.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 C-N-CA 123.021 0.528 . . . . 70.41 109.993 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.82 -47.41 75.16 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.547 0.739 . . . . 75.3 111.701 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.412 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 21.2 mmt180 -76.48 -36.41 57.87 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.74 0.416 . . . . 75.51 110.96 -173.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -74.46 -26.13 59.84 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 119.215 -0.422 . . . . 71.21 110.914 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -73.98 -31.02 62.79 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.793 0.437 . . . . 65.21 109.868 171.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.15 69.68 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.033 -0.729 . . . . 74.1 109.033 172.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.405 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 25.1 mm-40 -65.78 -38.91 90.31 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.143 -0.48 . . . . 72.43 110.74 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -69.79 -64.37 0.9 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.707 0.403 . . . . 73.0 110.284 -177.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 36.1 m -57.91 -36.48 72.5 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.006 0.922 . . . . 74.44 112.466 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -71.53 -44.07 65.3 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.433 0.293 . . . . 72.32 111.787 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.486 HD11 HD21 ' A' ' 34' ' ' LEU . 10.6 mp -72.68 -19.7 61.37 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.359 0.263 . . . . 74.22 111.1 174.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -82.36 -45.78 14.44 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.275 1.03 . . . . 74.31 110.598 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.0 t -68.51 -31.25 70.37 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.359 -0.608 . . . . 73.14 109.359 175.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.61 ' HG2' HD21 ' A' ' 450' ' ' LEU . 25.6 ttt -62.19 -46.84 87.14 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 115.731 -0.668 . . . . 75.15 109.479 170.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.58 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 7.2 ttm -63.33 -44.61 94.42 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.143 0.902 . . . . 74.13 112.517 -176.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 34.2 p -64.27 -40.61 96.33 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.745 0.418 . . . . 73.14 110.423 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -70.6 -41.36 72.4 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.963 -0.562 . . . . 75.54 111.584 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -75.62 -21.57 57.64 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.15 0.432 . . . . 72.52 110.507 -175.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -71.48 -48.65 47.83 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 108.933 -0.765 . . . . 74.5 108.933 172.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -60.48 -47.99 83.72 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.57 1.169 . . . . 74.45 110.084 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.44 HG21 ' HH ' ' A' ' 456' ' ' TYR . 40.2 p -62.14 -62.01 2.07 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.243 -0.89 . . . . 63.01 109.781 -178.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 85.0 p -51.02 -32.12 20.46 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.665 0.786 . . . . 71.4 112.873 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.8 t -62.11 -61.96 2.11 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.298 0.639 . . . . 73.14 110.755 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.44 ' HH ' HG21 ' A' ' 453' ' ' THR . 4.8 p90 -73.18 -20.19 60.94 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.156 0.428 . . . . 72.34 112.156 -178.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.612 HD21 HG21 ' A' ' 44' ' ' ILE . 39.4 mt -73.09 -42.02 63.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.488 0.715 . . . . 74.15 110.621 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.5 t -74.13 -32.98 63.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.194 0.309 . . . . 75.04 110.409 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -66.7 -46.68 74.78 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.776 0.43 . . . . 62.43 110.85 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . 0.618 ' HG2' ' HE1' ' A' ' 48' ' ' MET . 25.3 tp60 -66.61 -32.47 73.81 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.517 0.727 . . . . 74.43 110.8 177.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -62.85 -54.9 31.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.415 0.686 . . . . 71.34 109.534 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 30.2 m -65.41 -34.34 78.08 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.105 0.878 . . . . 75.01 111.132 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -78.57 -54.6 5.96 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.712 0.405 . . . . 71.31 111.71 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 47.5 ttp -64.57 -31.49 72.73 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.167 0.187 . . . . 73.05 110.724 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -74.02 -71.52 0.32 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 109.392 -0.595 . . . . 71.45 109.392 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.47 77.71 1.6 Allowed 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 112.384 0.512 . . . . 75.42 112.384 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.483 1.202 0 O-C-N 121.542 -0.724 . . . . 74.32 109.192 166.77 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ptt? . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.867 -0.419 . . . . 71.03 109.867 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.6 p -54.79 -57.46 11.47 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.174 0.989 . . . . 65.05 113.414 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -63.93 -37.21 86.56 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.625 0.77 . . . . 73.35 111.673 -175.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.409 ' O ' HG13 ' A' ' 8' ' ' ILE . 20.8 m -78.2 -34.76 49.23 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.848 -0.615 . . . . 74.32 111.538 -176.415 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.44 -39.56 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.145 0.43 . . . . 71.24 110.533 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.61 -39.93 94.59 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 109.505 -0.554 . . . . 73.51 109.505 176.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.406 ' HB3' ' O ' ' A' ' 4' ' ' THR . 74.9 t80 -50.42 -54.24 23.43 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 124.182 0.993 . . . . 75.23 110.876 170.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.435 HG12 HG22 ' A' ' 60' ' ' ILE . 96.5 mt -56.03 -61.28 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 124.512 1.125 . . . . 74.25 112.202 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.509 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 59.0 m-80 -65.94 -36.74 84.19 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.93 -0.577 . . . . 74.34 112.21 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.462 ' O ' HG13 ' A' ' 14' ' ' ILE . 49.9 mtm180 -73.34 -41.02 63.97 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 118.893 -0.575 . . . . 74.33 111.256 -177.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 58.3 m95 -60.77 -36.88 80.07 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 118.064 0.393 . . . . 73.13 110.85 173.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.402 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.1 tt0 -59.16 -44.3 92.13 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 115.608 -0.723 . . . . 73.14 109.929 174.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 49.6 mmt-85 -62.91 -43.47 98.71 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 123.485 0.49 . . . . 73.44 110.849 176.726 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.7 mt -58.01 -42.18 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 123.88 0.872 . . . . 73.21 110.92 -176.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.91 -44.13 66.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.016 0.527 . . . . 73.52 112.231 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 98.1 mt -64.35 -45.21 88.79 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.275 0.63 . . . . 75.54 110.855 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.483 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.8 mt -67.89 -48.08 67.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.075 0.95 . . . . 72.11 109.981 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.459 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 61.4 p -56.28 -42.85 78.14 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.795 0.684 . . . . 71.42 111.431 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.34 -48.81 80.14 Favored 'General case' 0 C--O 1.245 0.846 0 O-C-N 124.361 1.038 . . . . 74.32 111.194 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.1 m -59.95 -60.13 4.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.881 -1.054 . . . . 74.12 111.293 -179.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.612 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.1 pp -68.71 -19.85 64.38 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.78 0.832 . . . . 72.22 112.103 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.61 -55.41 23.91 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.626 -0.509 . . . . 74.43 109.626 170.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.61 -24.63 66.35 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 124.171 0.92 . . . . 73.12 111.519 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 21' ' ' LEU . 84.8 mt -74.13 -44.92 51.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.674 0.79 . . . . 71.11 110.448 175.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.516 ' HB3' HD11 ' A' ' 33' ' ' LEU . . . -66.16 -35.91 81.71 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.406 0.682 . . . . 74.14 110.88 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -68.26 -39.15 82.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.872 1.269 . . . . 64.1 110.394 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.433 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -75.41 -25.94 57.97 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.44 0.696 . . . . 75.44 110.812 177.311 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.76 7.46 55.47 Favored Glycine 0 C--N 1.348 1.232 0 O-C-N 123.633 0.583 . . . . 60.4 113.072 -176.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 6.1 mm-40 -73.78 90.93 1.89 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.565 0.746 . . . . 74.21 109.666 175.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -82.22 -34.37 28.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.238 0.615 . . . . 75.43 112.01 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.85 -43.12 99.49 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.928 0.491 . . . . 72.42 109.803 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.427 ' HB3' HD11 ' A' ' 24' ' ' LEU . 71.4 mt -75.26 -36.17 61.28 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.164 -0.926 . . . . 74.32 111.248 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' A' ' 21' ' ' LEU . 58.0 tp -56.0 -51.2 68.59 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.147 0.579 . . . . 74.31 110.557 175.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.464 HD22 HD13 ' A' ' 443' ' ' LEU . 64.2 mt -78.97 -19.91 50.5 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.721 -1.127 . . . . 74.52 111.627 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.94 -37.57 75.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.859 0.463 . . . . 73.3 110.534 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 76.3 mm-40 -86.62 -25.84 24.72 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 122.742 0.417 . . . . 72.31 110.932 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -44.44 -57.71 3.4 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 125.809 1.644 . . . . 64.4 112.261 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.2 m -56.59 -49.63 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 114.475 -1.239 . . . . 73.14 111.788 -172.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -67.57 -44.44 78.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.582 0.753 . . . . 75.33 110.915 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.459 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.9 t80 -59.26 -60.89 3.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.259 1.423 . . . . 72.33 112.065 -175.205 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.88 -40.9 94.77 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.04 0.838 . . . . 74.45 110.205 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.56 -38.81 82.11 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.158 0.583 . . . . 74.54 111.756 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -65.61 -41.91 92.22 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.321 0.649 . . . . 61.11 111.027 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.499 HG21 HD23 ' A' ' 457' ' ' LEU . 57.9 mt -63.27 -42.57 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 121.884 0.85 . . . . 74.44 110.216 175.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.99 -37.17 85.28 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.943 -1.026 . . . . 72.22 111.795 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 t -84.68 -26.4 27.78 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 112.525 0.565 . . . . 73.33 112.525 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.85 -37.5 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-N 118.709 0.686 . . . . 73.32 109.94 171.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.609 ' HE3' ' HG2' ' A' ' 460' ' ' GLN . 23.5 mmt -80.71 -18.25 48.47 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 116.057 -0.52 . . . . 62.52 111.993 177.094 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -67.15 -34.43 77.55 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.046 0.938 . . . . 62.52 109.761 170.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -89.2 9.38 25.94 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 114.886 -1.052 . . . . 74.31 110.168 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 71.2 -0.4 3.1 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.123 1.769 . . . . 74.01 112.942 168.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 93.9 m 57.11 90.37 0.09 OUTLIER Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 124.308 1.043 . . . . 65.03 110.324 -167.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.461 ' O ' HG12 ' A' ' 56' ' ' ILE . 53.1 Cg_exo -53.75 130.18 37.75 Favored 'Trans proline' 0 C--N 1.386 2.517 0 C-N-CA 122.99 2.46 . . . . 72.32 111.844 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.61 2.63 7.61 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.203 1.935 . . . . 72.43 113.773 -175.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.82 35.17 4.06 Favored Glycine 0 C--N 1.349 1.296 0 C-N-CA 122.867 0.27 . . . . 71.33 113.14 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 53' ' ' PRO . 36.6 mm -84.57 121.09 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.086 0.954 . . . . 74.53 109.539 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -81.69 174.15 11.65 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 122.897 0.479 . . . . 74.54 110.663 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 59' ' ' SER . 7.0 ppt_? -67.47 -34.89 78.1 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.491 0.923 . . . . 72.34 113.491 -165.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.442 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 48.5 t -69.85 -40.11 75.99 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.234 0.54 . . . . 53.13 110.333 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.594 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 74.4 mt -72.35 -39.91 64.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 114.999 -1.001 . . . . 72.21 109.987 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.22 -41.06 96.2 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.919 0.888 . . . . 74.43 110.5 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.61 -48.84 77.67 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.792 0.683 . . . . 72.12 110.899 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.594 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 54.8 mtm -57.2 -53.66 55.56 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 123.689 0.618 . . . . 74.44 110.584 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.506 ' O ' HG13 ' A' ' 68' ' ' ILE . 19.6 m -75.1 -23.8 17.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-N 115.91 -0.586 . . . . 74.44 112.488 -173.156 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.27 81.54 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.34 -0.615 . . . . 71.13 109.34 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.88 97.72 Favored Glycine 0 C--N 1.351 1.394 0 CA-C-N 115.554 -0.748 . . . . 70.43 112.055 171.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.405 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.4 m-85 -67.75 -39.06 84.22 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.012 0.525 . . . . 71.24 111.882 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.506 HG13 ' O ' ' A' ' 64' ' ' VAL . 70.3 mt -70.74 -41.37 77.54 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 108.981 -0.748 . . . . 74.43 108.981 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -54.84 -47.79 73.7 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.416 0.686 . . . . 75.34 111.189 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.63 -48.26 77.99 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.475 -0.784 . . . . 74.3 110.716 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.486 HG23 ' HA ' ' A' ' 68' ' ' ILE . 2.2 t -69.24 -26.91 65.02 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 123.366 0.416 . . . . 74.01 111.128 -175.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 60.0 mt -69.36 -46.43 67.01 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 122.714 0.406 . . . . 72.54 110.405 175.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.17 -58.35 8.6 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.435 1.084 . . . . 73.22 110.426 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -62.79 -44.86 95.07 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.136 -0.938 . . . . 73.43 111.941 -173.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.529 ' HA ' HD12 ' A' ' 78' ' ' LEU . 42.6 tt0 -76.21 -23.95 54.65 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.546 0.738 . . . . 64.22 112.271 -174.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -73.0 -37.76 66.85 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.038 0.446 . . . . 75.32 110.11 171.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.88 -34.87 79.12 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.679 -0.692 . . . . 73.33 110.348 174.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 75' ' ' GLU . 87.4 mt -65.12 -44.66 88.0 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.158 0.583 . . . . 73.53 110.564 172.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -51.03 -54.45 24.56 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.994 0.918 . . . . 75.11 110.609 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.01 -44.08 37.91 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 114.616 0.607 . . . . 54.53 114.616 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.54 -53.62 48.93 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.446 0.698 . . . . 74.33 110.027 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.7 -26.12 66.02 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.602 -0.726 . . . . 75.11 110.993 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -62.48 -44.2 96.96 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 118.476 0.58 . . . . 74.12 110.54 173.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -58.02 -51.2 70.66 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.124 0.89 . . . . 75.24 109.316 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -55.52 -45.42 77.13 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.307 1.004 . . . . 74.21 111.532 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.7 mt -71.7 -34.55 69.72 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.939 0.496 . . . . 71.31 111.519 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.38 -38.52 84.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.135 0.574 . . . . 73.14 110.209 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.412 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 40.2 mt-10 -66.22 -55.72 14.85 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.064 -0.971 . . . . 64.23 109.926 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 93' ' ' ILE . 94.0 mt -58.09 -44.79 87.81 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 124.06 0.944 . . . . 74.41 110.607 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.6 t -57.64 -46.85 83.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.787 0.835 . . . . 73.32 111.654 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.8 t -63.84 -36.26 83.32 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.735 -0.666 . . . . 74.52 110.948 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.0 mt -70.0 -43.19 71.9 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.417 0.687 . . . . 75.01 110.982 177.679 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 89' ' ' LEU . 96.4 mt -61.83 -40.39 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.549 1.139 . . . . 74.42 110.124 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.81 -27.1 67.91 Favored Glycine 0 C--N 1.347 1.166 0 O-C-N 123.193 0.308 . . . . 72.3 113.575 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -78.87 -42.9 26.23 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.507 0.723 . . . . 74.13 111.292 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.485 HG21 HG23 ' A' ' 433' ' ' VAL . 16.1 m -101.95 -16.18 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 113.726 1.01 . . . . 74.53 113.726 -168.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.546 ' HG ' HG12 ' A' ' 433' ' ' VAL . 3.4 tt -88.18 115.51 25.72 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 107.727 -1.212 . . . . 75.21 107.727 177.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -113.28 117.76 32.75 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.124 -1.065 . . . . 72.23 108.124 174.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.79 7.04 3.75 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.075 0.95 . . . . 72.24 110.288 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 165.92 -76.7 0.14 Allowed Glycine 0 C--N 1.344 1.016 0 N-CA-C 110.569 -1.013 . . . . 54.15 110.569 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.66 152.65 67.52 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.393 2.728 . . . . 72.21 112.627 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.8 m 62.25 21.34 12.41 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.916 1.286 . . . . 74.32 112.254 -175.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.43 127.93 15.04 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.548 0.739 . . . . 75.33 109.423 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.57 -39.53 93.92 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 123.694 0.621 . . . . 73.22 112.521 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 pp -82.99 178.72 8.02 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.936 0.894 . . . . 75.43 110.992 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.2 t -101.0 99.34 10.31 Favored Pre-proline 0 CA--C 1.557 1.22 0 N-CA-C 108.379 -0.971 . . . . 72.4 108.379 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -97.24 28.6 0.18 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.804 3.003 . . . . 54.1 113.193 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -75.46 81.59 2.51 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.6 0.714 . . . . 72.33 109.942 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.92 60.01 0.52 Allowed Glycine 0 C--N 1.341 0.837 0 N-CA-C 110.69 -0.964 . . . . 73.5 110.69 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 m -69.75 79.73 0.44 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.26 1.024 . . . . 75.44 110.578 -177.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 173.07 -42.28 0.16 Allowed Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.267 -0.878 . . . . 73.4 111.698 -174.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.5 86.64 0.07 OUTLIER Glycine 0 C--N 1.348 1.206 0 N-CA-C 112.455 -0.258 . . . . 62.35 112.455 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.475 ' HB ' ' HB2' ' A' ' 430' ' ' ASP . 46.9 mt -72.45 159.25 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.528 0 C-N-CA 123.927 0.891 . . . . 73.51 109.169 173.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.38 158.32 15.51 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.803 -0.561 . . . . 75.32 110.072 176.115 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.48 -179.59 50.47 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 123.098 0.249 . . . . 60.52 113.136 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 24.2 t -72.58 -19.35 61.5 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.823 0.849 . . . . 70.14 111.49 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -45.04 79.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 123.836 0.855 . . . . 74.23 110.549 175.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . 0.475 ' HB2' ' HB ' ' A' ' 113' ' ' ILE . 29.2 t70 -55.61 -54.12 48.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.423 0.689 . . . . 74.14 111.284 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.472 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 55.6 mt-10 -63.8 -52.61 59.45 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.717 1.26 . . . . 74.42 111.511 -173.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.6 t -60.21 -47.64 85.11 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 123.393 0.433 . . . . 74.21 111.183 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . 0.546 HG12 ' HG ' ' A' ' 97' ' ' LEU . 75.3 t -63.88 -44.03 97.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 123.202 0.601 . . . . 71.52 110.577 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -61.92 -31.84 72.19 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.256 0.622 . . . . 72.51 112.053 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 38.6 mmt-85 -72.3 -44.7 62.35 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.542 0.337 . . . . 74.54 110.444 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -64.87 -35.59 81.61 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.198 0.311 . . . . 74.5 110.905 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -73.0 -40.92 64.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.989 0.915 . . . . 75.3 110.562 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.7 72.76 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.866 0.467 . . . . 72.03 110.595 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -60.08 -41.04 91.62 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.073 0.549 . . . . 72.15 111.54 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.31 -55.29 36.66 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.538 0.523 . . . . 74.54 109.983 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.5 m -64.87 -33.38 75.87 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.664 1.186 . . . . 74.24 112.437 -173.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -76.53 -45.41 30.9 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.378 0.671 . . . . 74.52 111.538 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.464 HD13 HD22 ' A' ' 34' ' ' LEU . 9.4 mp -71.4 -19.62 62.24 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 122.665 0.386 . . . . 72.23 110.353 173.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.2 -48.75 19.27 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.359 1.064 . . . . 71.41 111.029 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -68.06 -34.48 76.54 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 109.8 -0.445 . . . . 73.53 109.8 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.583 ' HG2' HD22 ' A' ' 450' ' ' LEU . 26.0 ttt -61.25 -44.61 96.97 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.711 0.632 . . . . 75.13 109.589 173.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.642 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 45.6 ttm -66.93 -47.22 72.37 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 124.109 0.88 . . . . 75.43 112.569 -176.565 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 16.3 p -60.99 -41.16 95.93 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 122.949 0.5 . . . . 74.32 110.674 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -70.8 -41.87 71.03 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.385 -0.825 . . . . 64.21 111.348 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.642 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 1.9 pp -74.94 -18.39 60.41 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 118.268 0.486 . . . . 70.51 110.987 -176.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -79.96 -43.77 21.46 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.688 0.795 . . . . 73.15 109.412 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -59.85 -50.15 74.93 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 115.206 -0.906 . . . . 74.53 110.032 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.498 HG23 ' HH ' ' A' ' 456' ' ' TYR . 59.2 p -61.22 -57.96 10.25 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.032 -0.985 . . . . 55.4 110.101 -178.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 81.4 p -50.03 -37.42 32.98 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.835 0.854 . . . . 71.01 112.786 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.9 t -59.56 -60.78 3.29 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 124.143 0.902 . . . . 72.33 111.114 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.498 ' HH ' HG23 ' A' ' 453' ' ' THR . 2.5 p90 -75.32 -19.33 59.7 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.647 0.61 . . . . 74.13 112.647 -177.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.499 HD23 HG21 ' A' ' 44' ' ' ILE . 47.5 mt -75.11 -42.47 56.46 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.504 0.722 . . . . 73.04 110.496 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.4 t -72.25 -31.33 65.7 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.969 -0.382 . . . . 74.42 109.969 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -65.93 -44.02 86.36 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.734 0.413 . . . . 63.45 111.051 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . 0.609 ' HG2' ' HE3' ' A' ' 48' ' ' MET . 26.6 tp60 -69.8 -28.05 65.4 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.532 0.733 . . . . 73.23 110.802 178.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -72.56 -48.51 39.52 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.87 0.468 . . . . 73.12 110.167 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 45.5 m -57.37 -42.52 82.25 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.312 1.008 . . . . 73.34 110.082 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.0 -47.85 56.5 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 123.741 0.65 . . . . 71.21 112.404 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 55.6 ttm -66.6 -31.63 72.44 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 122.857 0.463 . . . . 74.04 110.621 -173.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -84.82 -63.84 1.26 Allowed 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.879 -0.601 . . . . 72.55 109.884 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.58 81.74 2.0 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.269 0.628 . . . . 74.5 112.181 174.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.253 1.278 0 O-C-N 121.275 -0.891 . . . . 75.43 110.383 166.803 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 ttp . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.516 -0.92 . . . . 75.24 108.516 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p -60.48 -48.85 79.97 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.479 1.112 . . . . 74.45 113.762 -168.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -58.92 -43.86 91.18 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.576 0.703 . . . . 62.45 111.902 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 61.1 m -75.72 -35.62 60.21 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.325 -0.852 . . . . 74.14 111.597 -177.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.8 p -74.79 -39.82 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 122.048 -0.408 . . . . 74.12 110.677 -178.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.43 -36.64 84.55 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 121.478 0.656 . . . . 75.32 109.906 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' THR . 74.8 t80 -53.92 -61.37 2.35 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 114.848 -1.069 . . . . 73.21 110.742 171.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.411 HG12 HG22 ' A' ' 60' ' ' ILE . 94.1 mt -57.96 -55.6 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 124.19 0.996 . . . . 74.4 111.942 -177.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -53.65 -48.31 69.52 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.754 -1.112 . . . . 71.22 112.387 -176.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.483 ' O ' HG13 ' A' ' 14' ' ' ILE . 21.4 mtm180 -80.57 -26.11 38.15 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 118.249 -0.881 . . . . 73.11 111.813 -174.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.435 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 47.0 m95 -66.63 -39.04 88.11 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.146 0.885 . . . . 75.14 110.222 171.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -57.46 -46.13 83.99 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.715 0.635 . . . . 62.5 109.965 171.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -58.82 -45.57 89.65 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.569 -0.741 . . . . 75.24 110.991 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 10' ' ' ARG . 93.2 mt -57.39 -44.13 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.771 0.829 . . . . 73.11 110.748 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.73 -43.1 76.65 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.53 0.567 . . . . 73.11 112.53 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.83 -46.28 82.6 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 116.058 -0.519 . . . . 74.43 111.348 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.447 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.5 mt -68.13 -46.15 71.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.953 0.901 . . . . 75.2 109.917 -175.024 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 48.0 p -58.58 -47.5 84.06 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.759 0.662 . . . . 72.14 111.135 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.39 -46.72 83.13 Favored 'General case' 0 C--O 1.243 0.735 0 O-C-N 124.389 1.056 . . . . 74.4 111.758 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.452 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.3 m -61.29 -60.09 4.27 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.505 -0.771 . . . . 72.45 110.391 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.565 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -66.24 -23.21 66.38 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.268 0.627 . . . . 72.34 111.868 -175.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 51.6 tp -62.2 -55.98 23.18 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 109.312 -0.625 . . . . 70.53 109.312 173.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.09 -35.3 78.27 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.398 1.061 . . . . 73.3 111.065 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.566 HD13 ' HB3' ' A' ' 32' ' ' LEU . 69.3 mt -65.89 -46.39 78.51 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.505 0.722 . . . . 73.35 110.542 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.511 ' HB3' HD11 ' A' ' 33' ' ' LEU . . . -67.21 -34.91 78.5 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.987 0.915 . . . . 64.52 111.935 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.77 -25.45 53.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.477 1.111 . . . . 75.23 110.494 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -77.94 -25.24 48.17 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.656 -0.702 . . . . 74.34 110.456 168.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.16 0.88 47.95 Favored Glycine 0 C--N 1.349 1.279 0 CA-C-N 115.934 -0.575 . . . . 71.41 113.237 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.14 83.27 1.81 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.508 0.723 . . . . 74.14 109.892 171.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.42 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 34.2 m95 -67.03 -35.91 80.93 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 114.951 -1.022 . . . . 74.34 110.707 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -56.69 -46.96 80.88 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.761 0.663 . . . . 62.32 110.963 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.566 ' HB3' HD13 ' A' ' 24' ' ' LEU . 75.2 mt -73.29 -34.73 65.91 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.374 -0.83 . . . . 72.24 111.058 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.565 HD12 ' HB2' ' A' ' 21' ' ' LEU . 33.7 tp -54.4 -52.83 60.48 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.888 0.875 . . . . 72.45 111.21 171.026 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.49 HD23 HD12 ' A' ' 443' ' ' LEU . 65.9 mt -70.64 -28.42 64.81 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.718 1.207 . . . . 73.21 111.444 -174.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -59.89 -45.34 92.8 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.417 0.627 . . . . 74.4 109.77 172.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.518 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 89.7 mm-40 -87.57 -14.16 40.93 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.871 -1.059 . . . . 72.33 111.942 -176.158 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.83 -57.77 9.1 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.551 1.14 . . . . 73.41 110.929 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 m -58.58 -41.38 81.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-N 114.223 -1.353 . . . . 74.43 111.422 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -64.19 -45.15 89.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.558 0.743 . . . . 72.33 110.568 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 17.8 t80 -67.35 -60.62 2.43 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.505 -1.225 . . . . 63.33 111.466 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.46 -39.06 86.2 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.883 0.739 . . . . 74.55 110.72 -177.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -62.89 -40.23 96.89 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.279 0.632 . . . . 72.14 111.369 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -62.1 -40.16 94.92 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.64 0.376 . . . . 75.32 111.262 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.405 HG21 HD21 ' A' ' 457' ' ' LEU . 57.2 mt -64.78 -42.33 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 121.229 0.538 . . . . 75.52 110.256 174.622 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.9 -46.19 88.97 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.633 -0.712 . . . . 73.44 111.277 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -72.69 -33.45 66.52 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 112.346 0.499 . . . . 73.05 112.346 -173.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.68 -33.17 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-N 118.328 0.513 . . . . 74.12 110.707 173.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.4 mmt -81.58 -20.34 40.07 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.486 0.55 . . . . 74.04 112.486 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -77.21 -31.07 54.99 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.011 0.524 . . . . 73.41 110.533 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -84.82 -5.39 59.33 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 115.807 -0.633 . . . . 72.34 109.821 171.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 65.34 14.0 9.16 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.808 1.643 . . . . 73.03 113.387 167.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.0 m 64.59 113.63 0.03 OUTLIER Pre-proline 0 CA--C 1.561 1.395 0 C-N-CA 124.403 1.081 . . . . 63.55 110.816 -170.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.44 ' HG2' HD13 ' A' ' 56' ' ' ILE . 33.3 Cg_endo -63.12 146.62 94.42 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.572 2.182 . . . . 75.41 111.771 173.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 10.5 Cg_exo -72.91 -15.28 26.44 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.98 2.453 . . . . 72.21 113.209 177.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.51 59.77 4.89 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 123.008 0.337 . . . . 73.43 112.894 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.44 HD13 ' HG2' ' A' ' 53' ' ' PRO . 43.9 mm -118.77 109.78 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.438 1.095 . . . . 64.12 108.82 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.4 t -76.39 172.5 12.82 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.331 0.653 . . . . 73.32 110.47 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -27.29 66.24 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.527 0.731 . . . . 72.04 112.141 -171.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.8 t -71.15 -47.12 59.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.22 0.608 . . . . 72.53 109.807 178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.599 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 89.7 mt -64.19 -42.99 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 115.604 -0.725 . . . . 71.15 110.2 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -51.36 -50.9 58.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.591 1.157 . . . . 75.35 110.748 173.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.06 -43.92 94.02 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.487 -0.779 . . . . 65.42 111.346 -176.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.599 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 35.1 mtm -60.36 -59.79 4.85 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.455 0.472 . . . . 75.05 110.159 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 68' ' ' ILE . 29.9 m -64.99 -37.59 80.65 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-N 115.451 -0.795 . . . . 70.53 111.667 -173.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.14 -32.17 73.72 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 118.07 0.395 . . . . 74.2 110.645 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.74 -45.89 94.81 Favored Glycine 0 C--N 1.347 1.148 0 N-CA-C 111.556 -0.618 . . . . 74.22 111.556 170.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 37.5 m-85 -64.47 -33.48 75.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.998 0.519 . . . . 73.51 111.717 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 64' ' ' VAL . 73.2 mt -69.52 -44.25 79.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 108.722 -0.844 . . . . 75.43 108.722 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.3 -40.4 94.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.126 0.57 . . . . 73.5 110.773 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 26.1 mt-30 -62.66 -49.63 74.37 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.858 -0.61 . . . . 73.51 110.529 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.421 HG21 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -68.75 -30.07 68.6 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.244 -0.889 . . . . 64.14 111.021 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.23 -39.63 82.28 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.875 0.87 . . . . 70.55 110.757 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.72 -50.9 69.29 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.887 0.742 . . . . 72.03 109.95 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -62.46 -45.36 93.42 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.864 -1.062 . . . . 73.11 110.726 -178.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.447 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.5 tt0 -77.54 -20.73 53.7 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.22 1.008 . . . . 74.53 111.75 -176.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.48 -41.07 76.66 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.222 0.609 . . . . 75.01 109.59 171.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.7 -37.14 76.49 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.966 -1.016 . . . . 74.24 110.6 175.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -63.28 -39.41 94.51 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.008 0.523 . . . . 73.02 110.095 174.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -57.39 -56.04 26.98 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.418 0.687 . . . . 72.44 109.962 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.7 -57.29 12.89 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-N 115.638 -0.71 . . . . 65.2 112.913 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.86 -58.63 7.29 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.909 1.283 . . . . 72.4 111.005 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 79.5 mt -65.88 -36.01 82.24 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 119.022 -0.513 . . . . 71.21 111.462 -174.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.62 -39.23 93.35 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 118.337 0.517 . . . . 70.22 111.188 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.67 -47.62 85.45 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.012 -0.54 . . . . 75.54 110.038 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -57.23 -46.14 83.23 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 123.659 0.783 . . . . 74.41 111.193 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 92.5 mt -66.66 -32.29 73.52 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.661 0.785 . . . . 73.41 111.418 -178.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.62 -47.44 69.64 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.482 0.658 . . . . 73.2 110.011 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -65.2 -44.14 89.33 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.525 -1.216 . . . . 73.05 110.448 179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.448 ' O ' HG13 ' A' ' 93' ' ' ILE . 83.4 mt -64.49 -39.8 94.48 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.508 0.723 . . . . 64.12 110.781 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -63.77 -39.2 93.68 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.322 0.649 . . . . 64.03 110.6 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 t -67.41 -37.18 82.68 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.174 -0.921 . . . . 71.11 110.679 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.9 mt -66.66 -42.53 86.47 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.242 0.617 . . . . 74.52 110.634 177.027 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 89' ' ' LEU . 84.3 mt -64.61 -37.44 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 123.874 0.87 . . . . 75.04 109.999 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.72 -20.5 66.29 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 116.023 -0.535 . . . . 52.55 113.793 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -98.15 -41.43 7.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.068 0.947 . . . . 73.0 111.367 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.448 HG22 HG22 ' A' ' 433' ' ' VAL . 35.1 m -83.53 -33.04 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 122.918 0.487 . . . . 63.0 111.731 -172.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.425 HD21 ' HB3' ' A' ' 99' ' ' GLN . 1.6 tt -99.03 111.83 24.12 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.128 -1.064 . . . . 71.11 108.128 177.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -95.84 85.26 4.05 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.31 -0.996 . . . . 65.31 108.31 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.425 ' HB3' HD21 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.97 -5.94 59.28 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 115.435 -0.802 . . . . 64.41 112.682 -172.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.4 -64.03 0.04 OUTLIER Glycine 0 CA--C 1.532 1.113 0 N-CA-C 111.692 -0.563 . . . . 70.14 111.692 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.59 146.96 85.86 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.422 2.081 . . . . 74.42 111.873 174.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m 64.0 18.91 11.5 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.582 1.153 . . . . 71.1 112.712 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -126.17 127.77 46.23 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.091 0.956 . . . . 74.2 109.633 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.13 -19.8 75.94 Favored Glycine 0 N--CA 1.478 1.489 0 C-N-CA 122.911 0.291 . . . . 64.11 113.021 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.1 pp -125.01 171.97 9.81 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.495 1.118 . . . . 72.1 109.547 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 72.2 t -95.96 103.07 12.08 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 107.927 -1.138 . . . . 73.21 107.927 175.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -96.28 38.44 0.13 Allowed 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 123.5 2.8 . . . . 75.42 112.274 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -69.11 93.32 0.59 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.294 0.638 . . . . 75.44 110.153 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -125.81 122.21 4.44 Favored Glycine 0 C--N 1.343 0.948 0 N-CA-C 111.001 -0.84 . . . . 73.11 111.001 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.3 p -91.39 28.62 1.64 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.446 0.698 . . . . 72.34 112.199 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.15 -90.51 0.1 OUTLIER Glycine 0 C--N 1.342 0.878 0 N-CA-C 111.472 -0.651 . . . . 55.1 111.472 175.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.43 136.33 13.24 Favored Glycine 0 C--N 1.345 1.031 0 N-CA-C 112.43 -0.268 . . . . 55.35 112.43 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.3 mt -95.18 156.47 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 124.135 0.974 . . . . 74.54 108.498 169.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -76.05 137.12 39.99 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.412 0.685 . . . . 71.35 110.486 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.39 -179.79 40.66 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 114.061 0.385 . . . . 72.24 114.061 173.675 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 22.5 t -72.63 -18.24 61.6 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.967 0.907 . . . . 74.33 111.283 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -35.5 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.564 -0.744 . . . . 74.24 110.073 172.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.9 -51.43 63.72 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.341 0.657 . . . . 72.21 111.399 173.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.416 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 39.6 mt-10 -62.5 -51.73 66.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.821 0.848 . . . . 72.35 111.2 -173.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.1 t -67.07 -40.31 87.0 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.399 0.437 . . . . 74.04 111.252 -177.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . 0.502 ' HA ' ' HD2' ' A' ' 436' ' ' TYR . 79.3 t -69.17 -31.19 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 122.359 0.263 . . . . 71.31 110.472 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.38 60.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 119.143 -0.456 . . . . 74.45 111.033 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 28.7 mmt180 -72.38 -40.99 66.83 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.974 0.509 . . . . 75.33 110.059 172.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . 0.502 ' HD2' ' HA ' ' A' ' 433' ' ' VAL . 50.5 m-85 -62.23 -51.51 67.45 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.978 -0.379 . . . . 72.12 109.978 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -65.33 -30.81 71.69 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.854 1.346 . . . . 74.41 111.153 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.79 -61.63 1.96 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.266 -0.642 . . . . 74.15 109.266 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -63.69 -28.41 69.88 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.722 0.409 . . . . 74.23 111.204 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -65.37 -63.57 1.07 Allowed 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 115.668 -0.696 . . . . 75.42 109.54 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 34.2 m -67.93 -32.93 73.73 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.994 0.918 . . . . 74.02 112.33 -171.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.09 -53.61 35.94 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.061 0.945 . . . . 75.25 111.041 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.49 HD12 HD23 ' A' ' 34' ' ' LEU . 7.4 mp -71.35 -18.39 62.38 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.661 177.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.2 -46.23 23.97 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.235 1.014 . . . . 64.03 111.242 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.9 t -66.44 -37.8 85.98 Favored 'General case' 0 C--O 1.247 0.939 0 N-CA-C 108.7 -0.852 . . . . 71.52 108.7 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.642 ' HG2' HD21 ' A' ' 450' ' ' LEU . 24.9 ttt -63.35 -42.84 98.93 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 115.888 -0.597 . . . . 75.44 110.115 173.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -53.79 54.32 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.945 0.898 . . . . 65.22 111.449 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 31.8 p -61.17 -40.73 94.97 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 123.998 0.811 . . . . 71.31 111.091 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -72.36 -40.77 67.09 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 116.024 -0.535 . . . . 75.35 111.522 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.642 HD21 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -74.25 -25.01 59.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 109.987 -0.375 . . . . 75.25 109.987 -175.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -73.54 -46.11 49.54 Favored 'General case' 0 C--O 1.246 0.873 0 C-N-CA 123.367 0.667 . . . . 75.44 109.458 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.78 -46.82 88.01 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.042 -0.981 . . . . 73.23 110.536 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.412 HG22 ' HH ' ' A' ' 456' ' ' TYR . 41.6 p -62.15 -62.6 1.66 Allowed 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 118.466 -0.778 . . . . 74.13 110.133 -178.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 77.8 p -52.58 -31.05 34.24 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.34 0.656 . . . . 62.1 112.521 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.411 ' O ' HG21 ' A' ' 458' ' ' THR . 35.3 t -59.66 -64.99 0.75 Allowed 'General case' 0 CA--C 1.554 1.097 0 O-C-N 123.495 0.497 . . . . 70.13 110.831 173.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.412 ' HH ' HG22 ' A' ' 453' ' ' THR . 3.5 p90 -72.76 -19.4 61.37 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.366 0.506 . . . . 75.05 112.366 -177.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.405 HD21 HG21 ' A' ' 44' ' ' ILE . 49.0 mt -76.66 -36.34 57.4 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.816 0.846 . . . . 74.33 110.788 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.411 HG21 ' O ' ' A' ' 455' ' ' SER . 5.2 t -73.27 -33.03 65.02 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.337 -0.616 . . . . 75.12 109.337 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -66.79 -37.74 85.16 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 123.419 0.45 . . . . 73.53 110.741 169.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -65.94 -40.35 91.3 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.688 0.795 . . . . 53.43 110.699 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -62.0 -53.1 60.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.538 0.735 . . . . 75.31 110.042 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 16.5 m -63.16 -36.09 82.46 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.085 -0.961 . . . . 74.23 111.838 -176.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -77.15 -52.61 8.98 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.913 0.485 . . . . 73.44 111.097 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.6 ttm -61.37 -34.55 75.5 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.756 -0.657 . . . . 73.21 110.677 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -76.58 -66.14 0.85 Allowed 'General case' 0 CA--C 1.553 1.083 0 O-C-N 123.922 0.764 . . . . 74.41 109.237 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.39 82.97 2.07 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.803 0.841 . . . . 73.1 112.321 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 CA--C 1.561 1.392 0 CA-C-O 118.551 -0.738 . . . . 72.33 110.361 162.523 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 CA--C 1.553 1.061 0 CA-C-O 121.474 0.654 . . . . 73.22 110.116 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.8 p -67.53 -43.02 81.78 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.085 0.954 . . . . 70.43 111.869 -175.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -62.57 -38.54 90.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.65 0.78 . . . . 74.1 111.253 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 27.7 m -73.34 -42.11 62.66 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.524 -0.762 . . . . 54.21 111.606 -177.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 p -69.62 -38.92 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 110.449 -0.204 . . . . 73.53 110.449 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.2 -35.91 78.73 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 120.591 0.234 . . . . 75.3 110.433 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' CD1' ' HD2' ' A' ' 53' ' ' PRO . 35.8 t80 -52.4 -58.69 5.92 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.085 0.954 . . . . 75.32 110.304 170.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.493 HD12 HD13 ' A' ' 60' ' ' ILE . 89.9 mt -57.36 -53.62 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 124.7 1.2 . . . . 72.41 111.835 -177.036 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -61.78 -44.33 97.09 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.009 -0.996 . . . . 75.32 111.66 -173.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' O ' HG13 ' A' ' 14' ' ' ILE . 78.0 mtm180 -78.7 -26.3 44.86 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.294 -0.412 . . . . 74.54 111.632 -177.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.465 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 35.2 m95 -67.12 -36.46 81.94 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 118.112 0.415 . . . . 72.53 110.191 169.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.68 -39.89 93.02 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.612 0.57 . . . . 70.42 109.796 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -57.84 -55.73 31.07 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.747 -0.66 . . . . 74.13 109.766 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 10' ' ' ARG . 97.3 mt -52.05 -48.22 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 124.331 1.052 . . . . 72.12 111.811 -176.422 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.0 -50.89 60.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.462 0.705 . . . . 71.32 112.214 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.16 -33.97 70.52 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.044 -0.525 . . . . 74.32 111.792 -175.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.44 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 85.0 mt -68.91 -53.12 22.79 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 118.803 -0.618 . . . . 73.54 109.722 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.441 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.0 p -54.55 -42.5 71.01 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 123.997 0.811 . . . . 74.43 111.259 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -56.97 -55.17 38.09 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.447 1.092 . . . . 74.42 111.487 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -63.28 -52.02 63.72 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.547 -0.751 . . . . 64.23 111.983 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.601 ' HB2' HD13 ' A' ' 33' ' ' LEU . 4.2 pp -69.82 -25.72 63.89 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.355 0.662 . . . . 70.1 111.325 -175.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.552 HD22 ' HA ' ' A' ' 74' ' ' ASN . 60.7 tp -61.05 -49.83 75.79 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.192 -0.669 . . . . 74.32 109.192 171.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.02 -43.79 86.94 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 124.183 0.927 . . . . 72.04 110.472 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD11 ' HA ' ' A' ' 21' ' ' LEU . 71.0 mt -64.11 -34.11 77.3 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.06 0.944 . . . . 72.33 111.458 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' HD12 ' A' ' 33' ' ' LEU . . . -70.53 -40.01 73.69 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.54 0.736 . . . . 72.53 111.03 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -68.29 -33.92 75.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.737 0.815 . . . . 64.24 110.654 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -76.03 -26.34 56.53 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.409 1.084 . . . . 75.31 110.58 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.14 -3.06 55.03 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.62 0.575 . . . . 75.23 113.524 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.14 90.4 1.56 Allowed 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 117.518 0.659 . . . . 63.54 110.19 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -75.28 -33.04 61.21 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.849 -1.069 . . . . 72.24 111.022 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -60.05 -47.29 86.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.056 0.542 . . . . 71.23 110.632 175.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.47 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 75.7 mt -72.22 -34.18 68.13 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.221 -0.899 . . . . 73.34 110.881 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.601 HD13 ' HB2' ' A' ' 21' ' ' LEU . 60.2 tp -56.64 -50.75 71.12 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.791 0.837 . . . . 73.51 110.885 173.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.38 -26.76 62.92 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.579 1.152 . . . . 75.14 111.759 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.76 -42.37 95.18 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.115 0.566 . . . . 73.44 110.235 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.47 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 63.0 mm-40 -83.33 -25.69 31.24 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.201 -0.454 . . . . 75.02 110.858 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -50.04 -57.05 8.41 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.209 1.403 . . . . 61.24 111.982 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.4 m -55.82 -46.32 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.963 -1.017 . . . . 74.35 111.857 -170.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 p -73.93 -35.45 64.59 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.461 0.704 . . . . 75.44 110.565 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.441 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.3 t80 -62.51 -62.9 1.43 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.191 0.997 . . . . 74.14 111.701 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.72 -37.85 85.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.706 0.802 . . . . 74.51 110.709 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.84 -48.26 78.44 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.492 0.495 . . . . 75.45 110.318 174.582 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 73.6 m -61.94 -36.32 81.03 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.661 0.601 . . . . 73.05 111.6 -177.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.515 HG21 HD21 ' A' ' 457' ' ' LEU . 65.1 mt -64.64 -52.03 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 123.576 0.547 . . . . 74.24 110.021 175.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -58.99 -40.24 84.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.953 0.901 . . . . 75.33 111.639 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 12.4 t -79.89 -32.01 40.27 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.002 0.371 . . . . 71.15 112.002 -172.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.8 m -71.48 -25.39 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 118.825 0.739 . . . . 75.1 109.807 170.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 mmt -81.26 -14.83 57.02 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.685 0.794 . . . . 72.41 111.783 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.51 -30.91 67.8 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 117.946 0.339 . . . . 75.15 110.538 167.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -82.31 -21.67 36.0 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.945 0.498 . . . . 74.11 110.75 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 60.64 33.15 20.38 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.272 1.029 . . . . 75.33 111.303 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.6 m 66.08 105.71 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 124.776 1.23 . . . . 73.34 110.356 -171.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.443 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 76.1 Cg_exo -48.42 142.65 16.94 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.327 2.685 . . . . 74.4 113.814 169.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -70.79 -24.29 25.11 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.836 2.357 . . . . 71.12 112.625 174.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.73 58.37 4.9 Favored Glycine 0 C--N 1.35 1.316 0 O-C-N 123.431 0.457 . . . . 71.23 113.053 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.3 mm -116.9 116.11 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 107.425 -1.324 . . . . 74.21 107.425 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.1 t -79.09 175.39 10.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.909 0.483 . . . . 74.5 110.273 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -29.69 70.18 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.42 0.688 . . . . 75.43 111.315 -176.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.432 ' O ' ' HG3' ' A' ' 63' ' ' MET . 35.6 t -72.57 -47.03 51.35 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.954 0.501 . . . . 72.43 110.196 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.493 HD13 HD12 ' A' ' 8' ' ' ILE . 83.7 mt -67.86 -36.47 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.525 0.73 . . . . 72.44 110.774 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.71 -43.81 97.83 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.683 0.793 . . . . 74.11 110.012 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.49 -45.8 92.69 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 124.023 0.827 . . . . 75.33 110.851 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.457 ' HE3' ' HA ' ' A' ' 60' ' ' ILE . 31.8 mtm -55.88 -65.85 0.53 Allowed 'General case' 0 C--N 1.361 1.074 0 O-C-N 123.977 0.798 . . . . 73.41 109.316 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.0 m -67.61 -21.4 27.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 124.103 0.877 . . . . 71.43 112.753 -172.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.88 87.1 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.058 -0.719 . . . . 75.45 109.058 168.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.96 -43.22 99.22 Favored Glycine 0 CA--C 1.539 1.538 0 CA-C-N 115.204 -0.907 . . . . 72.43 113.778 170.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -60.2 -48.06 83.34 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 117.502 0.651 . . . . 75.22 110.916 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 64' ' ' VAL . 34.9 mt -68.49 -40.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 115.433 -0.803 . . . . 64.01 109.171 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -59.71 -39.17 83.77 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.877 0.471 . . . . 72.34 111.201 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.71 -55.69 31.2 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.166 0.586 . . . . 71.41 109.778 172.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.41 HG23 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -65.89 -27.62 68.34 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.234 -0.893 . . . . 73.54 111.94 -171.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 68' ' ' ILE . 82.4 mt -70.78 -46.7 62.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.547 0.739 . . . . 73.3 110.429 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.82 -51.74 66.44 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.47 1.106 . . . . 64.04 110.486 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.552 ' HA ' HD22 ' A' ' 22' ' ' LEU . 10.0 m120 -68.71 -42.61 77.47 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.474 -1.239 . . . . 74.33 111.526 -173.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' HA ' HD11 ' A' ' 78' ' ' LEU . 35.8 tt0 -76.44 -23.08 53.91 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.636 0.774 . . . . 65.33 111.49 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -65.74 -44.79 84.91 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.639 0.776 . . . . 50.41 109.714 169.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.09 -27.0 62.37 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.216 -0.902 . . . . 73.4 111.216 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.513 HD11 ' HA ' ' A' ' 75' ' ' GLU . 98.3 mt -66.79 -43.12 84.77 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 109.545 -0.539 . . . . 72.23 109.545 170.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -56.91 -51.3 69.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.789 -0.641 . . . . 72.54 110.574 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.24 -55.63 20.24 Favored Glycine 0 CA--C 1.534 1.254 0 O-C-N 123.372 0.42 . . . . 53.41 113.38 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.73 -53.75 46.24 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.956 0.902 . . . . 64.51 111.085 -173.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.79 -28.74 67.85 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 118.695 -0.669 . . . . 73.53 111.092 -177.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.86 -42.65 99.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 118.724 0.693 . . . . 73.14 110.433 173.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.99 -47.44 85.81 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.898 0.749 . . . . 74.3 110.349 175.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 8.1 mmp_? -59.03 -49.44 77.87 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.18 0.592 . . . . 74.51 111.199 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.85 -33.61 75.97 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.444 1.098 . . . . 71.44 112.115 -177.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.62 -46.37 88.59 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.963 0.789 . . . . 74.45 109.47 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.515 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 43.9 mt-10 -70.54 -41.25 72.75 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.732 -1.122 . . . . 75.14 111.008 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.02 -38.73 92.38 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.358 0.663 . . . . 74.21 110.389 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.1 t -66.97 -35.79 80.75 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.351 0.66 . . . . 65.34 110.281 175.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t -68.9 -31.91 71.16 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.155 0.582 . . . . 73.32 110.526 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.515 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 53.8 mt -70.52 -50.07 41.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.098 0.559 . . . . 72.22 109.932 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.5 mt -62.45 -34.87 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 124.416 1.086 . . . . 72.21 110.522 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.22 -18.17 66.85 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 115.875 -0.602 . . . . 70.33 113.568 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -101.03 -53.57 3.01 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.51 0.724 . . . . 74.43 110.495 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.42 HG22 HG21 ' A' ' 433' ' ' VAL . 23.8 m -73.1 -31.95 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.229 0.612 . . . . 75.32 112.058 -170.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 tt -97.72 111.05 23.49 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.651 -1.241 . . . . 74.52 107.651 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -88.46 91.2 8.71 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.441 -1.318 . . . . 75.22 107.441 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -76.9 -10.49 59.4 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.535 -0.757 . . . . 74.4 112.531 -172.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -164.23 -76.56 0.03 OUTLIER Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.448 -0.661 . . . . 73.21 111.448 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.71 168.77 23.96 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 122.895 2.397 . . . . 73.41 112.8 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.9 m 67.25 18.49 10.31 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.13 1.372 . . . . 53.21 112.539 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -125.14 127.93 47.61 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.875 0.87 . . . . 63.42 109.039 176.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -73.49 -7.43 73.41 Favored Glycine 0 C--N 1.347 1.177 0 O-C-N 123.483 0.49 . . . . 71.34 113.195 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pp -116.01 -173.47 2.36 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.481 1.112 . . . . 73.23 110.258 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.4 t -93.99 100.41 4.78 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.203 -1.036 . . . . 74.34 108.203 171.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -82.69 -3.52 11.28 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.895 2.396 . . . . 75.03 112.47 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -79.16 76.91 5.68 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.606 -0.887 . . . . 75.41 108.606 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -143.18 67.26 0.45 Allowed Glycine 0 C--N 1.34 0.754 0 N-CA-C 109.644 -1.382 . . . . 72.52 109.644 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.2 m -61.26 114.23 3.05 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.533 1.133 . . . . 74.25 112.245 -169.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 175.35 -51.05 0.13 Allowed Glycine 0 C--N 1.34 0.78 0 N-CA-C 111.616 -0.593 . . . . 75.33 111.616 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.7 121.34 0.61 Allowed Glycine 0 C--N 1.343 0.954 0 N-CA-C 111.555 -0.618 . . . . 53.13 111.555 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.413 HG23 HD11 ' A' ' 429' ' ' ILE . 4.0 mp -80.17 148.45 5.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 108.616 -0.883 . . . . 71.15 108.616 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.76 133.25 40.76 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 122.07 -0.394 . . . . 74.51 110.147 174.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.92 178.44 30.6 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 116.332 -0.394 . . . . 64.22 113.022 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 30.5 t -72.5 -14.45 61.66 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.347 1.059 . . . . 75.14 112.027 -176.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.413 HD11 HG23 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -53.97 -41.92 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.534 0.733 . . . . 75.31 110.446 172.596 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.77 -43.0 94.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.242 0.617 . . . . 72.55 111.322 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 40.3 mt-10 -62.51 -56.44 18.01 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.252 0.97 . . . . 74.35 110.729 -176.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 10.1 t -61.94 -43.96 97.75 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.812 0.695 . . . . 74.5 111.217 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . 0.42 HG21 HG22 ' A' ' 96' ' ' VAL . 43.0 t -59.06 -43.4 89.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 122.849 0.46 . . . . 74.41 109.872 176.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.37 -30.66 71.7 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.248 0.619 . . . . 63.5 111.886 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.508 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 15.3 mmt180 -69.96 -51.95 28.41 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.579 0.352 . . . . 75.51 110.051 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -73.75 -25.31 60.1 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 116.138 -0.483 . . . . 72.43 111.597 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -74.9 -39.42 61.46 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.842 0.857 . . . . 72.43 110.16 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.52 -53.24 51.12 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 123.517 0.51 . . . . 70.34 109.67 175.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -54.13 -41.84 68.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.762 0.825 . . . . 74.45 111.803 177.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -60.22 -62.84 1.57 Allowed 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.167 -0.924 . . . . 74.01 109.956 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 91.4 m -62.02 -33.67 74.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.903 0.881 . . . . 72.32 112.882 -172.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.82 -51.7 31.39 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.876 0.87 . . . . 64.32 111.178 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 8.4 mp -74.3 -18.9 60.65 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 116.564 -0.289 . . . . 72.41 110.515 177.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -76.03 -46.82 27.41 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.22 1.008 . . . . 72.32 110.783 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.2 t -67.67 -33.24 74.54 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 109.666 -0.494 . . . . 72.54 109.666 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.571 ' HG2' HD22 ' A' ' 450' ' ' LEU . 26.5 ttt -60.61 -45.12 95.2 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.929 0.768 . . . . 72.12 109.495 171.534 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.544 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 2.5 ttm -65.14 -47.53 76.76 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.192 0.932 . . . . 73.43 112.361 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 25.0 p -63.33 -42.1 98.93 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 123.126 0.57 . . . . 72.01 110.88 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.62 -43.68 72.21 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 115.509 -0.769 . . . . 73.35 111.104 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.571 HD22 ' HG2' ' A' ' 446' ' ' MET . 2.3 pp -71.52 -22.95 61.71 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 123.036 0.21 . . . . 75.24 110.579 -175.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -70.81 -49.81 42.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.597 0.759 . . . . 74.43 109.035 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -58.21 -47.46 83.41 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 114.911 -1.041 . . . . 73.33 110.903 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.429 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 56.2 p -65.07 -60.34 3.14 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 118.252 -0.88 . . . . 71.25 110.026 -176.279 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.9 p -50.94 -36.09 36.77 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 123.666 0.786 . . . . 71.4 112.542 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.1 t -57.35 -63.7 1.14 Allowed 'General case' 0 CA--C 1.553 1.071 0 O-C-N 124.004 0.815 . . . . 62.12 111.032 173.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -73.05 -20.39 60.99 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 112.744 0.646 . . . . 71.2 112.744 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.515 HD21 HG21 ' A' ' 44' ' ' ILE . 54.5 mt -73.79 -39.55 64.05 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.971 0.908 . . . . 75.31 110.178 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.0 t -75.8 -33.2 60.11 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 110.175 -0.306 . . . . 74.42 110.175 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -68.61 -37.91 80.16 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.963 -0.562 . . . . 75.0 110.315 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -71.14 -37.83 72.25 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.979 0.512 . . . . 71.15 110.827 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . 0.405 ' HB2' HG21 ' A' ' 68' ' ' ILE . 20.0 t80 -63.27 -53.87 46.17 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.105 0.562 . . . . 74.52 109.99 177.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 85.5 m -59.43 -43.61 93.06 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 124.323 1.014 . . . . 73.12 110.528 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.89 -52.1 61.5 Favored 'General case' 0 C--O 1.245 0.819 0 O-C-N 123.483 0.489 . . . . 64.45 111.284 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 48.3 ttm -61.42 -30.81 70.8 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.123 0.969 . . . . 72.04 111.179 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -88.64 -77.32 0.37 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 108.825 -0.806 . . . . 74.33 108.825 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.21 77.98 1.68 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 123.683 0.793 . . . . 74.32 111.385 175.675 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.487 1.416 0 O-C-N 121.781 -0.575 . . . . 64.54 110.814 171.371 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 121.323 0.582 . . . . 74.15 109.845 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.7 p -63.74 -46.29 85.99 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.309 0.644 . . . . 75.31 112.561 -172.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m -61.68 -41.7 97.93 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.705 0.628 . . . . 61.35 111.449 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.445 HG23 HD12 ' A' ' 56' ' ' ILE . 58.7 m -70.44 -42.21 71.86 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.587 -0.733 . . . . 71.21 111.297 -177.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.408 ' HA ' HD13 ' A' ' 8' ' ' ILE . 9.9 p -75.58 -35.24 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 117.506 0.139 . . . . 73.34 111.251 -174.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.29 -34.0 74.05 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.906 -0.405 . . . . 72.04 109.906 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.25 -44.35 92.39 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.19 0.996 . . . . 75.13 110.434 172.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 4' ' ' THR . 95.2 mt -59.95 -57.25 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 124.66 1.184 . . . . 73.12 111.409 177.035 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.421 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 59.6 m-80 -59.73 -41.58 91.22 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.54 0.736 . . . . 63.5 111.484 -176.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.613 HH22 ' HD2' ' A' ' 50' ' ' LYS . 22.4 mtm180 -71.73 -31.35 66.61 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 118.956 -0.545 . . . . 73.42 111.695 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -66.75 -38.02 85.8 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.288 0.494 . . . . 74.42 111.243 173.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -56.85 -44.7 82.42 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.504 0.502 . . . . 70.05 110.22 170.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.2 mmt180 -58.65 -53.26 60.32 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.683 0.614 . . . . 74.34 110.076 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.6 mt -56.21 -43.55 76.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 124.617 1.167 . . . . 75.22 111.643 -174.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.53 70.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.258 0.623 . . . . 74.34 112.105 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.69 -35.3 77.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.054 -0.521 . . . . 65.04 110.506 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.475 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 78.6 mt -65.79 -55.33 17.77 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.645 0.778 . . . . 75.54 110.301 176.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.44 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.1 p -53.73 -44.26 69.75 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.311 1.007 . . . . 73.31 111.265 -176.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.59 -47.74 80.23 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 124.384 1.053 . . . . 74.13 111.407 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -65.8 -51.78 56.21 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.096 0.558 . . . . 75.25 112.172 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.56 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -69.81 -24.3 63.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.768 0.427 . . . . 72.34 111.396 -177.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.43 -47.86 83.8 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.965 0.506 . . . . 63.1 110.005 170.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.88 -45.58 89.88 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.231 -0.895 . . . . 74.12 110.148 175.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 32' ' ' LEU . 60.7 mt -63.12 -33.31 75.19 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.606 0.762 . . . . 64.44 111.947 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.446 ' HB3' HD11 ' A' ' 33' ' ' LEU . . . -67.26 -47.83 69.54 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.79 0.836 . . . . 64.0 110.899 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.06 -17.57 58.65 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.416 -0.356 . . . . 73.33 111.668 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -79.98 -24.69 40.74 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.348 0.659 . . . . 72.22 110.181 171.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.88 -1.63 51.94 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 119.556 -0.58 . . . . 74.41 114.303 173.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -81.14 90.51 6.05 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 117.513 0.656 . . . . 63.14 109.867 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.401 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 26.6 m95 -69.21 -34.55 75.03 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 114.563 -1.199 . . . . 70.43 109.985 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.6 -48.02 69.64 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.043 0.537 . . . . 75.11 110.92 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.525 ' HB3' HD13 ' A' ' 24' ' ' LEU . 83.6 mt -75.3 -35.86 61.22 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.342 -0.845 . . . . 74.45 111.339 -178.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.56 HD12 ' HB2' ' A' ' 21' ' ' LEU . 50.0 tp -57.8 -49.08 77.81 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.929 0.892 . . . . 73.22 110.961 174.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.47 HD22 HD11 ' A' ' 443' ' ' LEU . 47.0 mt -79.64 -24.34 41.95 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.332 1.053 . . . . 75.53 110.829 -174.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -63.36 -39.87 95.71 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.656 0.783 . . . . 73.41 109.549 172.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.1 mm-40 -84.23 -24.56 29.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.054 -0.976 . . . . 74.42 111.221 179.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -50.42 -53.1 31.96 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.145 0.978 . . . . 74.04 111.782 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.88 -46.63 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 O-C-N 124.328 1.018 . . . . 74.11 111.334 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 m -67.41 -40.5 85.58 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.855 0.862 . . . . 64.42 110.926 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.44 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 29.8 t80 -67.62 -61.5 1.86 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.995 1.318 . . . . 73.43 111.539 -173.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.14 -35.42 80.72 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.086 0.866 . . . . 74.35 111.172 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -61.13 -44.03 97.97 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.309 0.244 . . . . 75.05 111.074 174.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.447 ' HA ' HG22 ' A' ' 46' ' ' THR . 72.8 m -63.97 -36.66 84.68 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.456 0.473 . . . . 72.13 111.589 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.536 HG22 HD21 ' A' ' 457' ' ' LEU . 75.1 mt -66.02 -50.34 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 121.686 0.755 . . . . 74.11 110.401 175.371 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.15 -26.96 67.67 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.325 -0.852 . . . . 71.23 111.81 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.447 HG22 ' HA ' ' A' ' 43' ' ' SER . 6.2 t -86.88 -28.53 22.78 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.602 0.593 . . . . 72.3 112.602 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.02 -23.99 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 118.72 0.691 . . . . 70.34 109.991 170.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.8 mmt -87.15 -23.4 24.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.489 0.715 . . . . 65.13 111.993 172.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 34.7 tt0 -68.37 -31.99 71.75 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.424 0.69 . . . . 71.02 109.273 167.467 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.613 ' HD2' HH22 ' A' ' 10' ' ' ARG . 0.1 OUTLIER -68.36 -15.28 63.5 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.548 -1.205 . . . . 74.25 110.815 175.501 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 72.52 2.61 4.41 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.542 1.537 . . . . 74.44 111.194 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.8 m 62.21 109.57 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 124.474 1.109 . . . . 74.1 110.68 -169.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.515 ' O ' HG12 ' A' ' 56' ' ' ILE . 32.3 Cg_exo -59.2 128.22 26.85 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.307 2.005 . . . . 74.01 111.489 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -63.7 -14.11 40.87 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.472 2.115 . . . . 72.14 112.986 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.32 50.99 4.16 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.109 -0.496 . . . . 75.33 113.091 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 53' ' ' PRO . 47.0 mm -96.65 99.31 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 108.392 -0.966 . . . . 74.02 108.392 171.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 t -77.18 168.59 19.8 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.065 0.546 . . . . 75.35 110.441 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -29.92 69.63 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 115.281 1.586 . . . . 74.4 115.281 -158.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -74.9 -38.55 61.81 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 118.841 0.746 . . . . 70.41 110.068 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.523 ' HA ' ' HE3' ' A' ' 63' ' ' MET . 68.6 mt -62.37 -45.19 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 115.475 -0.784 . . . . 72.01 109.367 173.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.1 -42.41 85.62 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.882 1.273 . . . . 75.1 110.908 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.77 -46.97 87.3 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.795 0.838 . . . . 70.33 110.759 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.523 ' HE3' ' HA ' ' A' ' 60' ' ' ILE . 52.5 mtm -64.27 -61.82 2.0 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.801 -0.636 . . . . 71.22 110.975 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.548 ' O ' HG13 ' A' ' 68' ' ' ILE . 32.3 m -61.58 -40.6 87.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 118.594 -0.717 . . . . 74.53 111.862 -173.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.3 -34.39 78.01 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.173 0.442 . . . . 74.01 110.775 177.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.66 99.62 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.537 0.523 . . . . 60.45 112.355 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -70.56 -33.79 71.5 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.255 0.622 . . . . 65.0 111.601 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.548 HG13 ' O ' ' A' ' 64' ' ' VAL . 45.8 mt -69.05 -43.38 81.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 N-CA-C 108.572 -0.899 . . . . 72.35 108.572 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -59.3 -41.96 90.2 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.456 0.703 . . . . 74.32 110.608 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -62.06 -54.17 45.12 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 123.659 0.599 . . . . 70.35 110.588 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.416 HG21 ' HA ' ' A' ' 68' ' ' ILE . 5.6 t -64.77 -36.72 85.23 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 123.784 0.678 . . . . 71.13 110.824 -173.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.98 -45.54 93.18 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.66 0.784 . . . . 72.21 110.884 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.2 -52.58 63.23 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 124.193 0.933 . . . . 74.24 110.89 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -67.05 -38.37 85.71 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.141 -0.936 . . . . 65.44 111.606 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.444 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.7 tt0 -76.3 -25.21 54.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.38 1.072 . . . . 75.33 111.257 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -68.37 -41.4 80.68 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.317 0.647 . . . . 75.11 109.788 169.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 81.0 mt -67.63 -33.85 75.8 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.499 -0.773 . . . . 75.05 110.71 176.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.1 mt -64.03 -45.18 90.04 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.007 0.523 . . . . 73.22 110.285 173.129 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -50.6 -54.37 23.29 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.328 1.051 . . . . 74.03 110.944 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.89 -45.93 61.97 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 116.137 -0.483 . . . . 51.1 113.939 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tt -60.19 -56.31 23.12 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.198 0.999 . . . . 73.15 110.159 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.32 -32.07 73.52 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 124.142 0.902 . . . . 74.52 110.984 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.07 -46.84 82.17 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 118.209 0.459 . . . . 74.41 111.369 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.23 -45.76 93.2 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.236 -0.893 . . . . 74.44 110.486 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.435 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 8.2 mmp_? -58.78 -51.34 70.41 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.015 0.822 . . . . 75.15 111.07 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.421 HD23 ' HB2' ' A' ' 443' ' ' LEU . 96.0 mt -65.13 -30.29 71.21 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.389 1.076 . . . . 74.32 112.241 -175.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.28 -45.21 77.29 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.683 0.614 . . . . 72.43 109.556 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.07 -44.4 84.58 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.162 -0.926 . . . . 73.12 111.237 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 97.2 mt -61.43 -50.68 71.85 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.735 0.814 . . . . 75.52 110.192 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.9 t -63.04 -34.9 78.57 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.94 0.775 . . . . 72.23 111.233 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.456 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 23.0 t -61.63 -45.45 94.03 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.062 0.545 . . . . 74.14 109.771 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.21 -41.06 81.9 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.679 0.791 . . . . 75.4 111.53 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 89' ' ' LEU . 82.1 mt -61.5 -41.62 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.93 0.892 . . . . 72.43 110.038 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.03 -24.49 71.73 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.606 -0.725 . . . . 64.31 113.183 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.456 ' HG2' ' O ' ' A' ' 91' ' ' SER . 13.4 mm100 -84.56 -51.23 7.03 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.245 0.618 . . . . 73.42 111.163 178.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.88 -47.18 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 122.493 0.317 . . . . 75.35 111.612 -174.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.522 ' HA ' HD13 ' A' ' 429' ' ' ILE . 4.4 tt -79.47 114.0 18.05 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.574 -0.898 . . . . 74.22 108.574 -176.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -95.59 95.88 8.66 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 107.696 -1.224 . . . . 74.23 107.696 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -31.01 38.7 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.162 0.585 . . . . 74.12 110.929 -178.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.76 -73.98 0.01 OUTLIER Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.399 -0.667 . . . . 54.24 112.467 -174.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -59.44 170.41 3.25 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 123.25 2.633 . . . . 55.04 114.142 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.8 m 69.03 26.55 5.6 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.298 1.439 . . . . 74.54 112.027 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -149.6 154.3 38.46 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.312 0.645 . . . . 74.11 110.979 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -73.92 -50.8 10.08 Favored Glycine 0 C--N 1.35 1.353 0 N-CA-C 111.404 -0.678 . . . . 45.41 111.404 173.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 pp -83.99 -174.54 5.34 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.617 0.767 . . . . 73.22 110.549 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.2 t -94.39 101.39 6.55 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 108.343 -0.984 . . . . 70.35 108.343 174.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -87.08 45.75 1.32 Allowed 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.71 2.94 . . . . 73.33 112.164 -173.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -65.9 87.2 0.1 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.612 0.765 . . . . 73.44 110.119 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -85.22 64.31 4.21 Favored Glycine 0 C--N 1.349 1.25 0 CA-C-N 115.403 -0.817 . . . . 72.22 111.878 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.0 m -69.91 94.7 0.86 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.728 0.811 . . . . 72.12 110.448 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.73 -70.78 0.25 Allowed Glycine 0 C--N 1.339 0.722 0 N-CA-C 111.544 -0.622 . . . . 75.44 111.544 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -133.29 135.14 7.89 Favored Glycine 0 C--N 1.351 1.371 0 CA-C-O 120.118 -0.268 . . . . 74.1 113.152 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.26 160.04 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.396 0 N-CA-C 108.175 -1.046 . . . . 74.12 108.175 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.42 32.49 0.64 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 124.422 1.089 . . . . 44.23 113.306 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -147.57 -176.15 20.95 Favored Glycine 0 N--CA 1.482 1.764 0 O-C-N 121.754 -0.591 . . . . 74.54 113.554 -175.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 23.9 t -73.1 -21.47 60.74 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.566 0.747 . . . . 62.43 110.099 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -51.24 -37.91 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 124.759 1.224 . . . . 72.31 110.731 168.461 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.49 -41.53 90.07 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.827 0.851 . . . . 72.12 111.689 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 39.1 mt-10 -67.91 -48.59 65.55 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.505 0.722 . . . . 74.32 110.723 -177.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 14.8 t -66.26 -35.74 81.18 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.259 0.35 . . . . 74.01 111.138 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 38.9 t -57.7 -54.25 33.95 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 N-CA-C 108.946 -0.761 . . . . 72.24 108.946 171.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -53.16 -35.44 59.79 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.308 1.005 . . . . 74.45 111.947 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.446 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 26.4 mmt180 -66.88 -63.47 1.06 Allowed 'General case' 0 C--N 1.356 0.859 0 C-N-CA 122.73 0.412 . . . . 75.41 110.494 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -68.69 -25.13 64.63 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.439 0.533 . . . . 72.25 112.439 -174.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -81.36 -39.47 25.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.101 0.96 . . . . 71.42 110.365 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.76 74.18 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 109.08 -0.711 . . . . 74.2 109.08 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 26.3 mm-40 -59.23 -36.87 76.2 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.165 0.586 . . . . 73.05 111.127 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -63.75 -63.14 1.25 Allowed 'General case' 0 C--N 1.35 0.588 0 CA-C-N 116.199 -0.455 . . . . 74.11 109.943 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 38.3 m -60.36 -35.72 76.34 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.964 0.906 . . . . 74.21 112.671 -173.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -70.85 -50.85 30.87 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.405 0.682 . . . . 71.32 111.513 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.47 HD11 HD22 ' A' ' 34' ' ' LEU . 9.5 mp -70.22 -21.27 63.03 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.63 0.372 . . . . 73.54 110.998 176.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.39 -43.62 18.72 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.962 0.905 . . . . 71.43 110.811 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.5 t -71.94 -31.14 66.03 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.476 -0.565 . . . . 71.13 109.476 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.601 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.8 ttt -61.77 -45.31 94.46 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.834 0.709 . . . . 62.01 109.102 170.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.578 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 38.1 ttm -61.47 -50.49 72.52 Favored 'General case' 0 C--N 1.36 1.034 0 O-C-N 124.207 0.942 . . . . 75.31 112.751 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 36.2 p -62.08 -42.21 98.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.022 0.529 . . . . 75.1 110.765 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -70.35 -40.54 74.01 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.416 -0.811 . . . . 71.55 111.049 176.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.601 HD22 ' HG2' ' A' ' 446' ' ' MET . 2.3 pp -74.64 -23.22 58.65 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 118.264 0.484 . . . . 71.41 110.868 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -75.75 -41.77 52.29 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.87 0.868 . . . . 73.33 109.034 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -63.62 -44.18 94.66 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 114.937 -1.029 . . . . 71.0 110.363 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.435 ' HB ' HG21 ' A' ' 44' ' ' ILE . 41.3 p -67.15 -57.94 5.81 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 118.23 -0.891 . . . . 75.0 109.626 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.8 p -53.24 -31.26 42.52 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.528 0.731 . . . . 73.34 112.331 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.7 t -59.7 -66.14 0.56 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.079 0.552 . . . . 74.11 111.047 172.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -71.37 -20.72 62.12 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.383 0.512 . . . . 75.45 112.383 -175.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.536 HD21 HG22 ' A' ' 44' ' ' ILE . 56.8 mt -72.08 -43.62 64.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.367 0.667 . . . . 74.44 110.54 177.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.4 t -73.11 -33.18 65.4 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 117.641 0.201 . . . . 75.03 111.021 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -66.06 -49.04 69.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.264 0.626 . . . . 73.34 110.434 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 13.3 tm0? -71.16 -28.27 64.14 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.434 -0.803 . . . . 74.43 109.819 -178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . 0.507 ' HB2' HG23 ' A' ' 68' ' ' ILE . 55.8 t80 -63.61 -43.05 98.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.479 0.712 . . . . 74.24 109.86 173.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 29.6 m -61.48 -37.41 83.53 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.663 0.602 . . . . 74.25 110.79 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -68.95 -53.93 18.1 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.026 0.38 . . . . 74.44 112.026 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' MET . . . . . 0.456 ' SD ' HG21 ' A' ' 64' ' ' VAL . 56.0 ttm -65.39 -34.55 78.58 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.638 0.775 . . . . 73.25 111.335 -172.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -80.91 -59.47 2.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.628 0.771 . . . . 74.31 109.283 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 77.56 1.59 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.001 0.52 . . . . 73.41 111.855 176.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.485 1.32 0 C-N-CA 123.686 0.794 . . . . 73.14 112.486 166.863 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.495 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 18.8 ptt? . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.393 0.616 . . . . 75.51 109.822 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.7 p -60.37 -56.83 16.65 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.663 0.785 . . . . 71.2 112.257 -170.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -60.03 -33.61 72.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.055 0.942 . . . . 62.32 112.296 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.495 ' HB ' ' HB2' ' A' ' 1' ' ' MET . 33.8 m -74.78 -41.61 59.71 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.574 0.749 . . . . 73.44 111.881 -176.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -74.46 -38.44 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 122.326 0.251 . . . . 65.14 110.677 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.6 -37.2 84.38 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 110.083 -0.34 . . . . 74.2 110.083 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -53.98 -52.62 60.14 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.141 0.977 . . . . 73.14 110.976 173.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.45 HG12 HG21 ' A' ' 60' ' ' ILE . 87.6 mt -55.81 -58.96 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 123.928 0.891 . . . . 73.31 111.585 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.58 -42.24 99.44 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 114.665 -1.152 . . . . 72.04 112.28 -170.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.492 ' O ' HG13 ' A' ' 14' ' ' ILE . 67.0 mtm180 -77.04 -32.24 56.8 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 118.621 -0.704 . . . . 74.31 110.836 -176.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.433 ' HH2' HD23 ' A' ' 457' ' ' LEU . 21.8 m95 -64.86 -39.89 94.26 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.465 0.575 . . . . 74.41 110.591 173.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -53.58 -48.67 68.98 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.941 0.775 . . . . 74.13 109.342 171.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -63.66 -40.65 97.36 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.911 -0.586 . . . . 74.42 112.172 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.4 mt -61.36 -41.08 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.154 0.582 . . . . 72.43 110.344 -176.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -71.83 -41.88 67.64 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.139 0.575 . . . . 64.43 112.084 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.0 mt -64.79 -42.13 95.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.046 0.538 . . . . 64.4 110.812 178.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.488 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.7 mt -69.42 -47.9 62.67 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.87 0.868 . . . . 75.21 109.964 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.427 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 75.5 p -55.99 -42.86 77.0 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.838 0.711 . . . . 74.43 111.167 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -58.65 -53.57 56.87 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.256 -0.883 . . . . 73.41 111.114 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.418 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 68.3 m -60.25 -51.17 70.69 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.336 0.655 . . . . 75.22 112.173 -174.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.638 ' HB2' HD12 ' A' ' 33' ' ' LEU . 3.9 pp -71.87 -26.5 62.37 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 122.664 0.386 . . . . 72.51 111.782 -176.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.87 -43.35 99.04 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.279 0.362 . . . . 75.34 110.103 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.75 -45.07 90.54 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 115.383 -0.826 . . . . 70.1 109.812 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' A' ' 32' ' ' LEU . 63.8 mt -66.92 -29.8 69.77 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.67 0.788 . . . . 73.13 112.006 -178.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HB3' HD11 ' A' ' 33' ' ' LEU . . . -73.67 -43.76 58.52 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.583 0.753 . . . . 71.14 111.039 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -79.99 -14.92 58.2 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.029 -0.532 . . . . 75.15 111.031 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -78.4 -25.27 46.09 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.503 0.721 . . . . 75.32 109.694 167.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.42 -5.8 62.88 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.834 -0.621 . . . . 55.42 113.384 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.95 88.05 2.92 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 109.54 -0.541 . . . . 74.14 109.54 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.458 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 22.3 m95 -64.68 -37.8 88.82 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 115.07 -0.968 . . . . 71.23 109.931 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -55.25 -44.35 75.47 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.377 1.071 . . . . 64.35 111.868 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.542 ' HB3' HD13 ' A' ' 24' ' ' LEU . 84.1 mt -72.19 -39.56 68.53 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.782 -0.645 . . . . 74.21 110.74 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.638 HD12 ' HB2' ' A' ' 21' ' ' LEU . 38.0 tp -56.75 -46.01 81.66 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.319 1.048 . . . . 75.53 111.478 174.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.501 HD22 HD11 ' A' ' 443' ' ' LEU . 55.6 mt -77.19 -24.22 51.4 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.511 1.124 . . . . 73.44 110.901 -175.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.91 -37.82 82.16 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.896 -0.593 . . . . 74.1 110.085 172.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -82.86 -21.58 34.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.204 0.602 . . . . 74.43 111.379 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.443 ' HG3' ' HG3' ' A' ' 446' ' ' MET . 30.3 tt0 -50.89 -52.89 37.46 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.371 1.068 . . . . 75.23 111.402 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.7 m -60.86 -45.42 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 114.791 -1.095 . . . . 75.44 111.601 -172.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 p -69.69 -41.1 75.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.306 0.642 . . . . 72.43 110.986 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . 0.427 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 32.8 t80 -62.17 -63.66 1.17 Allowed 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.953 1.301 . . . . 75.35 111.737 -177.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.75 -40.61 93.08 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.628 -0.714 . . . . 75.44 110.721 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -53.17 -48.3 68.12 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.263 0.625 . . . . 75.24 111.113 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.436 ' HA ' HG22 ' A' ' 46' ' ' THR . 71.1 m -62.15 -36.82 83.0 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 124.048 0.842 . . . . 74.13 111.534 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.36 -51.26 73.17 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 123.276 0.36 . . . . 75.33 110.808 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.98 -31.59 72.91 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 112.605 0.595 . . . . 74.03 112.605 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.436 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.5 t -84.23 -23.78 30.31 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 118.413 0.551 . . . . 61.21 112.166 -174.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -77.59 -33.3 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 118.54 0.609 . . . . 71.24 109.916 168.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.581 ' HE3' ' HG2' ' A' ' 460' ' ' GLN . 23.6 mmt -91.35 0.07 57.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.655 0.782 . . . . 72.11 112.781 -178.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.65 -30.53 67.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.449 0.642 . . . . 60.42 109.444 167.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -104.76 -4.93 21.74 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.907 0.883 . . . . 74.04 110.954 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 54.81 36.02 25.52 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.099 1.36 . . . . 73.23 112.719 171.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m 69.93 112.6 0.03 OUTLIER Pre-proline 0 CA--C 1.559 1.322 0 C-N-CA 124.395 1.078 . . . . 71.13 110.818 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.495 ' O ' HG12 ' A' ' 56' ' ' ILE . 33.6 Cg_endo -63.34 144.78 91.97 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.353 2.036 . . . . 75.43 111.681 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.31 2.99 3.31 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 123.04 2.493 . . . . 72.52 114.945 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -104.83 28.14 16.02 Favored Glycine 0 C--N 1.345 1.05 0 CA-C-N 117.629 0.195 . . . . 55.41 113.365 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 53' ' ' PRO . 37.2 mm -81.59 106.5 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 123.044 0.538 . . . . 75.55 109.662 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 t -75.78 166.9 22.85 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.174 0.59 . . . . 74.31 110.167 177.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -67.82 -23.42 65.18 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 113.28 0.844 . . . . 74.21 113.28 -165.841 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.3 t -70.38 -48.57 55.6 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.496 0.318 . . . . 63.21 110.418 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.601 ' HA ' ' HE1' ' A' ' 63' ' ' MET . 81.6 mt -64.23 -40.81 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.644 0.777 . . . . 72.23 110.009 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.32 -39.95 92.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.942 1.297 . . . . 75.22 111.114 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.23 -41.83 76.49 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.162 0.585 . . . . 73.12 110.922 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.601 ' HE1' ' HA ' ' A' ' 60' ' ' ILE . 58.6 mtm -60.14 -55.2 36.77 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.576 0.547 . . . . 72.2 110.087 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.546 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.9 m -71.42 -28.36 31.65 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 CA-C-N 115.483 -0.781 . . . . 74.45 111.549 -174.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.94 91.9 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 118.201 0.455 . . . . 72.43 110.091 172.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -58.9 -47.34 91.08 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-N 115.649 -0.705 . . . . 54.34 111.934 171.299 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -66.54 -36.33 82.42 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.239 0.616 . . . . 74.02 112.35 -177.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.546 HG13 ' O ' ' A' ' 64' ' ' VAL . 68.7 mt -70.97 -42.01 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.161 -0.681 . . . . 75.14 109.161 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -42.58 97.99 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.249 0.62 . . . . 73.21 110.464 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.433 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 28.2 mt-30 -61.59 -50.43 72.62 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.028 -0.533 . . . . 75.35 110.75 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.414 HG23 ' HA ' ' A' ' 68' ' ' ILE . 4.7 t -68.54 -34.21 75.45 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 123.796 0.685 . . . . 75.03 110.672 -173.342 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.8 -42.46 95.01 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.292 0.637 . . . . 74.11 110.969 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.71 -48.77 70.87 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.43 0.692 . . . . 75.03 110.588 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.424 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 15.9 m120 -66.76 -40.61 88.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.276 0.631 . . . . 74.44 111.006 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.475 ' HA ' HD13 ' A' ' 78' ' ' LEU . 36.0 tt0 -74.47 -25.3 59.31 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.452 1.101 . . . . 72.14 111.159 -177.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.26 -42.51 75.5 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.47 0.708 . . . . 65.32 109.567 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.64 -33.23 75.4 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.473 -0.785 . . . . 72.53 111.529 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.475 HD13 ' HA ' ' A' ' 75' ' ' GLU . 89.0 mt -66.57 -45.39 79.44 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.793 -0.447 . . . . 74.14 109.793 174.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.54 -50.76 67.14 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.629 0.772 . . . . 71.14 110.588 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.64 -52.3 35.39 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 116.451 -0.341 . . . . 73.0 113.645 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.455 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 6.6 tt -60.67 -57.71 11.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.124 0.969 . . . . 70.44 110.247 -175.181 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.35 -30.3 71.46 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-O 118.648 -0.692 . . . . 71.51 111.164 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.456 ' N ' ' HE1' ' A' ' 447' ' ' MET . 9.8 tt0 -61.77 -42.33 98.85 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 118.685 0.675 . . . . 74.13 111.398 176.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -60.71 -45.91 92.43 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.783 -0.644 . . . . 74.05 110.265 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.455 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 1.2 mmp_? -62.68 -46.27 88.92 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.654 -0.703 . . . . 74.4 111.214 -178.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.04 -38.85 92.58 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.044 0.938 . . . . 75.52 111.128 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.06 -45.52 93.2 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.73 0.812 . . . . 75.05 110.344 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 41.1 mt-10 -65.14 -48.29 74.06 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.154 -0.93 . . . . 74.31 110.708 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.21 -36.17 77.08 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.144 0.577 . . . . 74.1 110.619 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -69.12 -34.06 74.44 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.031 0.933 . . . . 74.15 110.759 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.7 t -68.81 -37.28 79.11 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.202 0.601 . . . . 74.54 110.227 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 72.6 mt -66.29 -55.54 15.58 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.048 -0.524 . . . . 75.02 109.91 177.797 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.94 -42.4 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.994 1.318 . . . . 74.22 111.334 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.77 -34.12 69.93 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 116.211 -0.449 . . . . 34.41 113.552 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -86.85 -44.14 11.93 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 122.954 0.502 . . . . 61.24 111.324 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.574 HG21 HG21 ' A' ' 433' ' ' VAL . 21.6 m -90.16 -30.27 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 113.189 0.811 . . . . 74.34 113.189 -167.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt -80.58 113.28 18.66 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.02 -1.104 . . . . 73.3 108.02 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -99.39 110.75 23.22 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.021 -1.103 . . . . 73.51 108.021 174.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -106.19 -9.25 16.98 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.367 0.667 . . . . 74.32 111.47 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.82 -74.15 0.04 OUTLIER Glycine 0 C--N 1.346 1.123 0 CA-C-O 119.682 -0.51 . . . . 74.42 112.784 -177.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -83.37 -174.39 1.96 Allowed 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 122.643 2.229 . . . . 73.23 112.779 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.5 m 63.45 22.84 13.42 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.721 1.208 . . . . 74.25 112.528 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.83 147.59 34.31 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.907 0.883 . . . . 73.24 109.887 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.95 -48.6 53.38 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 123.579 0.55 . . . . 75.13 111.902 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.59 170.17 17.08 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.255 0.622 . . . . 73.15 110.326 170.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.7 t -89.15 102.81 4.64 Favored Pre-proline 0 CA--C 1.548 0.904 0 N-CA-C 108.161 -1.051 . . . . 72.02 108.161 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.14 126.14 7.61 Favored 'Trans proline' 0 C--N 1.37 1.664 0 C-N-CA 122.775 2.317 . . . . 74.43 111.713 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -154.45 44.52 0.53 Allowed 'General case' 0 C--O 1.244 0.799 0 N-CA-C 108.178 -1.045 . . . . 75.33 108.178 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.622 ' HA3' HG13 ' A' ' 113' ' ' ILE . . . -59.87 -27.35 64.27 Favored Glycine 0 C--N 1.351 1.37 0 CA-C-N 114.009 -1.45 . . . . 61.31 112.639 175.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 62.8 p 51.59 32.33 8.92 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.077 1.351 . . . . 53.13 112.149 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.32 45.55 4.96 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 115.281 -0.872 . . . . 64.01 111.846 -174.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.13 64.54 0.1 OUTLIER Glycine 0 C--N 1.348 1.245 0 N-CA-C 111.616 -0.594 . . . . 51.22 111.616 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . 0.622 HG13 ' HA3' ' A' ' 109' ' ' GLY . 3.6 mp -101.39 149.96 6.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 123.732 0.813 . . . . 71.4 108.972 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.24 106.2 17.74 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.429 0.633 . . . . 71.13 110.123 176.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 145.88 -178.28 23.71 Favored Glycine 0 C--N 1.344 0.989 0 CA-C-N 115.705 -0.68 . . . . 65.13 112.103 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 23.2 t -72.07 -19.88 61.75 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.633 0.773 . . . . 74.53 110.305 174.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -43.23 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.005 0.922 . . . . 75.51 110.886 175.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.21 -50.32 73.24 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.316 0.646 . . . . 73.12 110.971 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' GLU . . . . . 0.489 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 29.5 mt-10 -65.82 -54.19 30.06 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.463 1.102 . . . . 75.51 111.316 -173.204 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.1 t -62.84 -39.39 94.22 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 111.759 0.281 . . . . 63.01 111.759 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' VAL . . . . . 0.574 HG21 HG21 ' A' ' 96' ' ' VAL . 51.0 t -64.77 -45.88 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.777 0.431 . . . . 64.22 110.138 174.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.03 -30.33 71.42 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.641 0.776 . . . . 73.13 111.786 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 79.2 mmt-85 -69.38 -55.81 9.3 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.347 0.404 . . . . 74.45 109.969 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -66.44 -30.2 70.51 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.227 0.329 . . . . 74.34 111.679 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -74.0 -43.2 58.85 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.28 0.632 . . . . 74.32 110.444 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.61 72.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.644 0.378 . . . . 74.12 110.641 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -60.75 -40.17 91.47 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.421 0.45 . . . . 71.52 111.049 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -57.71 -59.23 5.53 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 109.463 -0.569 . . . . 70.01 109.463 174.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 86.1 m -59.72 -33.28 71.43 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.168 0.987 . . . . 64.44 112.782 -173.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -75.25 -48.53 22.92 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.678 0.791 . . . . 74.35 111.443 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' LEU . . . . . 0.501 HD11 HD22 ' A' ' 34' ' ' LEU . 9.3 mp -69.35 -21.89 63.79 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.641 0.376 . . . . 74.01 110.478 175.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.21 -42.8 20.22 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.588 1.155 . . . . 74.21 111.419 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.0 t -71.06 -35.87 72.08 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.276 -0.639 . . . . 73.21 109.276 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' MET . . . . . 0.657 ' HG2' HD22 ' A' ' 450' ' ' LEU . 25.7 ttt -58.91 -46.24 88.38 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.849 0.718 . . . . 74.14 109.49 171.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' MET . . . . . 0.493 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 19.6 ttm -61.35 -54.09 48.25 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.282 0.989 . . . . 72.44 112.662 -177.437 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 30.7 p -58.49 -40.17 82.02 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.932 0.493 . . . . 64.31 111.163 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' LYS . . . . . 0.618 ' HZ3' ' HB3' ' A' ' 449' ' ' LYS . 8.9 mtpm? -69.36 -45.92 68.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.456 -0.793 . . . . 73.42 111.454 177.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' LEU . . . . . 0.657 HD22 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -72.34 -19.75 61.59 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.057 0.223 . . . . 73.53 111.039 -176.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -75.67 -47.98 24.0 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.879 0.872 . . . . 74.53 109.415 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -44.05 97.96 Favored 'General case' 0 C--O 1.25 1.13 0 CA-C-N 114.67 -1.15 . . . . 74.43 109.465 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' THR . . . . . 0.572 HG23 ' HH ' ' A' ' 456' ' ' TYR . 54.6 p -64.36 -60.47 3.14 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 118.434 -0.794 . . . . 74.42 110.352 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.1 p -52.13 -30.48 26.67 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.459 0.704 . . . . 73.44 112.277 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' SER . . . . . 0.404 ' O ' HG21 ' A' ' 458' ' ' THR . 34.9 t -60.45 -65.29 0.71 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 122.968 0.507 . . . . 75.51 110.423 172.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' TYR . . . . . 0.572 ' HH ' HG23 ' A' ' 453' ' ' THR . 6.4 p90 -71.28 -20.63 62.19 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 112.502 0.556 . . . . 71.13 112.502 -176.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' LEU . . . . . 0.433 HD23 ' HH2' ' A' ' 11' ' ' TRP . 64.9 mt -75.54 -38.25 59.44 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.711 0.804 . . . . 73.02 110.393 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' THR . . . . . 0.404 HG21 ' O ' ' A' ' 455' ' ' SER . 2.5 t -73.91 -35.12 64.61 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 110.164 -0.31 . . . . 73.43 110.164 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -65.33 -43.88 89.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.322 0.582 . . . . 72.41 110.097 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' GLN . . . . . 0.581 ' HG2' ' HE3' ' A' ' 48' ' ' MET . 22.5 tp60 -57.64 -43.96 85.25 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.708 -1.133 . . . . 72.35 110.673 175.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -63.93 -38.18 90.13 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.388 -0.824 . . . . 74.32 110.807 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 4.3 m -63.0 -47.03 84.88 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 123.314 0.384 . . . . 75.21 110.891 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.06 -52.08 21.56 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.401 0.438 . . . . 73.11 111.799 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' MET . . . . . 0.401 ' SD ' HG23 ' A' ' 64' ' ' VAL . 53.8 ttm -62.14 -35.66 79.43 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.345 0.658 . . . . 74.22 111.617 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -79.47 -59.78 2.62 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.051 -0.722 . . . . 72.5 109.051 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.76 80.79 1.99 Allowed 'General case' 0 CA--C 1.565 1.554 0 N-CA-C 113.429 0.9 . . . . 75.32 113.429 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.49 1.565 0 O-C-N 120.839 -1.163 . . . . 75.41 109.354 161.942 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 111.423 0.157 . . . . 72.31 111.423 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -57.49 -41.89 81.63 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.602 0.761 . . . . 54.41 111.159 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 24.8 m -69.36 -43.53 73.4 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.898 -1.046 . . . . 75.54 112.193 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -70.21 -42.61 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 118.024 0.375 . . . . 53.53 111.593 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.85 -33.95 76.74 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.775 0.43 . . . . 73.2 110.463 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.464 ' HB3' ' O ' ' A' ' 4' ' ' THR . 58.2 t80 -53.56 -52.1 60.82 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.135 0.974 . . . . 74.52 110.611 169.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 4' ' ' THR . 86.1 mt -57.47 -57.01 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.911 0.884 . . . . 75.04 111.598 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 65.0 m-80 -59.02 -41.94 88.98 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.355 0.662 . . . . 75.21 112.686 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.8 mtm180 -74.07 -39.37 63.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 118.886 -0.578 . . . . 61.52 111.833 -175.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.423 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 77.4 m95 -65.22 -34.55 78.63 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.415 0.552 . . . . 74.42 111.155 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -57.94 -46.61 84.78 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 123.909 0.756 . . . . 75.31 109.61 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 83.7 mmt-85 -58.59 -51.12 71.26 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 123.771 0.669 . . . . 64.22 110.558 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.4 mt -54.26 -45.46 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.325 1.05 . . . . 44.25 112.013 -174.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.58 -41.79 65.3 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 112.625 0.602 . . . . 54.02 112.625 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.88 -39.99 91.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.836 0.454 . . . . 74.31 111.123 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.7 mt -67.41 -53.71 26.81 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 123.927 0.891 . . . . 71.12 109.661 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 47.0 p -54.7 -45.35 73.96 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.173 0.921 . . . . 73.13 111.809 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.19 -51.67 68.76 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.149 0.906 . . . . 60.2 111.722 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 67.2 m -73.38 -38.79 65.54 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.993 0.738 . . . . 51.31 112.993 -173.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.514 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -74.67 -19.92 60.08 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.1 0.409 . . . . 63.31 110.71 177.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -69.01 -41.75 77.36 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 110.035 -0.357 . . . . 71.32 110.035 169.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.87 -39.73 74.86 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.846 0.716 . . . . 64.41 109.725 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 21' ' ' LEU . 66.7 mt -72.65 -37.53 67.93 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.098 -0.955 . . . . 64.33 111.839 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.95 85.75 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.432 0.693 . . . . 23.44 111.174 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -73.3 -28.7 62.24 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.196 -0.457 . . . . 74.13 110.873 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.591 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 4.1 mmm180 -73.15 -19.52 61.11 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.48 0.712 . . . . 71.42 111.723 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.89 7.88 85.02 Favored Glycine 0 C--N 1.347 1.142 0 O-C-N 123.452 0.47 . . . . 42.32 112.789 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 55.5 mm-40 -71.07 85.88 0.73 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.442 0.697 . . . . 60.01 109.897 176.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.421 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 17.7 m95 -75.44 -39.47 58.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.623 0.369 . . . . 75.22 110.714 -176.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.64 -51.31 67.65 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.947 0.899 . . . . 74.53 109.974 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 88.7 mt -69.64 -39.72 76.95 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.109 -1.405 . . . . 71.13 111.124 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' A' ' 21' ' ' LEU . 63.8 tp -55.88 -45.56 78.55 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.952 0.901 . . . . 72.42 111.31 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.622 HD21 HD12 ' A' ' 443' ' ' LEU . 84.1 mt -77.82 -25.84 49.13 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.275 -0.875 . . . . 54.12 111.719 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -66.33 -37.57 85.67 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 121.08 0.467 . . . . 74.54 110.043 172.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 79.5 mm-40 -80.27 -28.54 38.35 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.475 -0.784 . . . . 64.42 111.346 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -50.48 -57.15 8.73 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.877 1.271 . . . . 75.31 111.707 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.62 -47.41 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 124.136 0.898 . . . . 62.12 111.86 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 p -68.71 -37.85 79.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.138 0.575 . . . . 51.14 111.367 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 27.5 t80 -68.31 -59.06 3.47 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.114 0.965 . . . . 72.23 111.455 -175.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.42 -41.29 93.66 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 124.15 0.906 . . . . 65.21 110.26 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.79 -34.45 77.93 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.589 0.556 . . . . 63.22 112.028 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.5 m -65.69 -42.39 91.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.665 0.386 . . . . 74.03 110.891 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.566 HG23 HD21 ' A' ' 457' ' ' LEU . 59.0 mt -64.58 -43.98 96.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-O 121.736 0.779 . . . . 73.02 110.431 176.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.87 -48.38 82.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.867 -1.06 . . . . 60.14 110.439 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 t -71.95 -27.93 63.12 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 118.932 -0.556 . . . . 70.03 112.007 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -75.54 -31.27 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 CA-C-N 118.769 0.713 . . . . 72.43 111.386 175.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 24.5 mmt -88.08 -22.47 24.14 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.834 0.679 . . . . 65.44 112.834 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -83.72 -28.68 28.08 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.944 0.498 . . . . 74.3 110.266 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HG3' HH22 ' A' ' 10' ' ' ARG . 7.9 tmtm? -72.75 -38.85 67.24 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.293 -1.003 . . . . 73.51 108.293 169.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 72.97 133.21 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 126.188 1.795 . . . . 74.21 111.292 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.424 HG23 ' CE1' ' A' ' 7' ' ' PHE . 98.8 m -52.54 112.84 3.76 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.743 1.217 . . . . 63.2 111.365 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HG2' HD11 ' A' ' 56' ' ' ILE . 30.8 Cg_endo -63.86 146.64 91.91 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.483 2.122 . . . . 63.31 111.98 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 27.5 Cg_exo -65.39 -17.47 57.9 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.622 2.214 . . . . 72.21 113.547 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.58 62.83 3.36 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 116.6 -0.273 . . . . 71.23 113.178 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.523 HD11 ' HG2' ' A' ' 53' ' ' PRO . 46.0 mm -117.29 114.88 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.928 0.891 . . . . 53.42 108.782 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -75.74 175.49 8.63 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.368 0.267 . . . . 40.34 110.444 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -66.79 -32.48 73.8 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.229 0.612 . . . . 72.14 111.224 -173.596 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' MET . 16.5 m -70.68 -47.01 62.08 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.106 0.562 . . . . 72.4 110.506 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.516 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 93.1 mt -69.03 -36.52 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-N 115.289 -0.869 . . . . 72.34 110.645 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.47 -41.1 93.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.535 0.734 . . . . 54.3 110.206 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.36 -39.71 92.65 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.439 0.696 . . . . 72.1 110.804 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.516 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 45.5 mtm -60.74 -56.35 22.24 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.064 0.545 . . . . 62.33 110.297 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 68' ' ' ILE . 25.6 m -73.15 -23.47 20.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.636 0 CA-C-N 115.397 -0.819 . . . . 70.34 112.201 -175.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.23 99.35 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.397 -0.594 . . . . 64.24 109.397 171.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.63 -43.11 99.72 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-N 115.221 -0.899 . . . . 35.5 112.264 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.0 -42.93 97.02 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.619 0.6 . . . . 74.41 112.619 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 64' ' ' VAL . 64.2 mt -68.8 -41.69 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.363 -0.606 . . . . 72.31 109.363 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -45.54 89.31 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.475 0.71 . . . . 72.05 110.894 178.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -58.44 -52.93 63.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.113 0.565 . . . . 74.51 110.094 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.6 -27.37 66.85 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 115.226 -0.897 . . . . 51.11 111.429 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.74 -44.87 69.36 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.281 0.632 . . . . 74.34 111.05 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.1 -55.03 37.3 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.183 0.927 . . . . 74.34 110.224 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -61.27 -42.26 98.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.124 -0.944 . . . . 33.24 111.846 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.7 tt0 -75.9 -24.69 55.64 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.776 0.831 . . . . 74.24 111.898 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -72.89 -36.56 67.34 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.15 0.5 . . . . 53.32 110.086 171.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.75 -32.48 71.04 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.651 -0.704 . . . . 72.11 110.156 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.4 mt -64.7 -44.26 90.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.105 0.562 . . . . 73.14 110.174 171.75 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -54.49 -56.75 15.56 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 124.204 0.94 . . . . 74.31 110.478 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.88 -46.6 93.26 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 123.518 0.511 . . . . 72.14 113.983 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.08 -52.56 63.41 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.938 0.895 . . . . 70.41 110.548 -176.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.444 HD22 HD23 ' A' ' 443' ' ' LEU . 81.9 mt -70.07 -25.32 63.48 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.785 -0.643 . . . . 64.44 111.3 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.75 -41.77 99.36 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 118.452 0.569 . . . . 64.34 110.264 172.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -59.48 -50.43 73.97 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.925 0.765 . . . . 75.03 110.003 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -60.83 -51.46 69.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.633 0.773 . . . . 75.25 111.905 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.21 -34.36 77.48 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.943 0.897 . . . . 54.23 111.955 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.23 -44.8 82.75 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.775 0.672 . . . . 74.14 110.488 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 48.2 mt-10 -63.17 -51.12 67.69 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.616 -0.72 . . . . 60.25 110.375 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.9 mt -58.98 -41.9 88.69 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.722 0.809 . . . . 73.11 111.742 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.6 t -65.0 -37.61 88.22 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.0 0.92 . . . . 71.12 111.541 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.0 t -70.2 -30.39 67.49 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.844 -0.617 . . . . 72.04 110.53 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 92.2 mt -72.89 -41.78 64.3 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.274 0.629 . . . . 64.44 110.602 175.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.42 -36.78 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.238 1.015 . . . . 75.42 110.535 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.37 -13.98 52.15 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.681 -0.69 . . . . 60.3 113.953 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -106.2 -52.5 2.79 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.004 0.922 . . . . 64.02 110.733 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 433' ' ' VAL . 31.8 m -74.99 -36.89 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 116.053 -0.521 . . . . 73.11 111.782 -170.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 108.101 -1.074 . . . . 61.4 108.101 -179.232 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 119.683 -0.199 . . . . 73.25 111.113 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.26 -35.55 75.77 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.496 0.718 . . . . 73.44 111.626 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.65 -50.36 31.29 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.64 0.776 . . . . 71.45 110.601 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.4 t -67.42 -36.15 80.68 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.134 0.271 . . . . 62.54 111.396 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 433' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 96' ' ' VAL . 65.9 t -64.8 -47.36 88.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 123.342 0.657 . . . . 75.11 110.201 174.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.49 76.65 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.363 0.665 . . . . 72.43 111.715 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 439' ' ' GLN . 30.1 mmt180 -67.58 -56.72 8.35 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.445 0.466 . . . . 72.43 110.887 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -64.5 -35.77 82.02 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 123.443 0.464 . . . . 74.2 112.175 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -71.53 -39.44 70.72 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.411 0.684 . . . . 70.02 110.764 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.89 47.28 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.302 0.376 . . . . 55.02 110.643 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.413 ' O ' HD13 ' A' ' 443' ' ' LEU . 28.1 mm-40 -60.0 -40.33 88.87 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.602 0.564 . . . . 54.22 110.641 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.83 -61.48 2.58 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 115.741 -0.663 . . . . 74.44 110.397 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.2 m -57.16 -37.35 71.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.963 0.905 . . . . 74.42 112.511 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.94 -50.72 54.29 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.339 0.655 . . . . 53.23 111.307 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.622 HD12 HD21 ' A' ' 34' ' ' LEU . 9.2 mp -72.61 -19.54 61.45 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 122.754 0.422 . . . . 73.33 111.205 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.3 -47.41 14.59 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.525 1.13 . . . . 63.45 111.298 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -66.8 -33.22 75.13 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.669 -0.493 . . . . 34.51 109.669 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.63 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -59.56 -46.69 88.17 Favored 'General case' 0 C--N 1.362 1.117 0 O-C-N 123.948 0.78 . . . . 63.51 109.913 171.672 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.563 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 30.8 ttm -64.35 -52.0 60.56 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.093 0.871 . . . . 72.12 112.611 -176.528 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 29.5 p -57.3 -42.87 82.61 Favored 'General case' 0 C--O 1.243 0.748 0 O-C-N 123.674 0.609 . . . . 74.12 111.073 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 449' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 453' ' ' THR . 59.7 mtpt -72.01 -40.16 68.67 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.553 -0.749 . . . . 65.23 111.538 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.63 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.4 pp -72.82 -23.59 60.8 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 118.779 0.718 . . . . 75.33 111.137 -176.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.86 -39.14 31.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.315 0.646 . . . . 64.1 109.274 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.87 -42.4 94.87 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.731 0.813 . . . . 62.04 110.371 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.429 ' HB ' HG21 ' A' ' 44' ' ' ILE . 40.0 p -65.03 -60.41 3.07 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 118.39 -0.814 . . . . 62.23 109.542 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 60.1 p -52.42 -31.18 33.1 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.67 0.788 . . . . 70.5 112.405 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.0 t -57.82 -67.52 0.33 Allowed 'General case' 0 CA--C 1.55 0.981 0 O-C-N 123.623 0.577 . . . . 65.52 111.16 171.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 456' ' ' TYR . . . . . 0.432 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 2.8 p90 -70.17 -19.67 63.18 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 112.769 0.655 . . . . 75.15 112.769 -177.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.566 HD21 HG23 ' A' ' 44' ' ' ILE . 62.6 mt -71.51 -44.72 64.15 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.37 0.668 . . . . 75.13 110.537 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 10.0 t -72.95 -31.52 64.63 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.401 0.438 . . . . 75.4 111.137 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.07 -49.99 67.89 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.367 0.417 . . . . 74.55 110.327 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.27 -32.55 73.99 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.076 -0.966 . . . . 42.1 110.867 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.57 -50.75 64.0 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.792 0.437 . . . . 63.23 110.425 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 24.1 m -62.45 -37.53 86.23 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.848 0.718 . . . . 54.23 111.377 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.95 -52.51 14.28 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 116.297 -0.411 . . . . 71.02 111.376 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.7 ttm -61.63 -35.28 77.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.72 0.808 . . . . 72.41 111.167 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -76.82 -64.16 1.19 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.886 -0.783 . . . . 75.2 108.886 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.97 78.51 1.56 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.538 0.685 . . . . 71.14 111.946 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 CA--C 1.561 1.402 0 CA-C-O 118.644 -0.694 . . . . 55.13 110.996 162.386 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.0 p . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 112.501 0.556 . . . . 74.51 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -65.8 -32.55 74.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.861 0.865 . . . . 54.14 111.393 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 8' ' ' ILE . 39.2 m -76.39 -40.36 51.14 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.889 -0.596 . . . . 55.45 111.6 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.87 -37.15 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 CA-C-N 118.635 0.652 . . . . 72.33 110.801 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.75 -37.91 85.57 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.761 -0.459 . . . . 72.35 109.761 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' ' 4' ' ' THR . 64.4 t80 -54.78 -59.03 5.27 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.203 1.001 . . . . 71.13 110.659 171.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.557 HG12 HG23 ' A' ' 60' ' ' ILE . 94.4 mt -55.07 -58.98 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 124.496 1.118 . . . . 65.23 111.644 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.9 m-20 -60.53 -49.41 77.66 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.371 -1.286 . . . . 62.45 111.494 -170.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 14' ' ' ILE . 38.4 mtm180 -69.95 -36.94 75.65 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 118.468 -0.777 . . . . 73.34 111.496 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.434 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 24.4 m95 -58.59 -42.64 88.54 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 118.485 0.584 . . . . 64.34 110.741 173.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -58.31 -45.4 88.09 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.873 0.733 . . . . 74.15 110.088 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 32.9 mmt180 -66.87 -32.96 74.56 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 123.8 0.688 . . . . 70.43 111.407 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.6 mt -64.08 -44.31 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.405 0.682 . . . . 71.24 109.802 178.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.44 -43.32 85.95 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.591 0.756 . . . . 61.11 111.736 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.16 -47.87 84.2 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.301 -0.863 . . . . 64.24 110.633 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 80.8 mt -62.92 -54.6 36.1 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.694 0.798 . . . . 63.24 110.602 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.448 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 61.5 p -53.11 -43.85 67.18 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.885 0.874 . . . . 74.44 111.613 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.68 -51.03 68.81 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.527 -0.76 . . . . 74.53 111.082 176.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -63.35 -45.08 92.84 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.495 0.718 . . . . 62.53 112.3 -174.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.574 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -79.86 -21.67 43.82 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.65 0.38 . . . . 72.13 111.308 -176.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.58 -43.85 97.79 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.55 -0.537 . . . . 72.24 109.55 169.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.84 -45.12 93.41 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.773 -1.103 . . . . 72.51 110.154 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.64 -33.67 76.14 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.487 0.715 . . . . 55.3 111.824 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.76 64.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.515 0.726 . . . . 51.15 110.973 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -76.3 -15.61 59.95 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.56 0.344 . . . . 54.42 111.134 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -80.7 -24.52 38.78 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.749 0.82 . . . . 70.41 110.919 172.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.17 7.13 73.86 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 123.556 0.535 . . . . 43.12 112.762 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.3 75.06 4.83 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.933 0.893 . . . . 73.11 109.575 174.201 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -69.24 -33.01 72.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.294 -0.866 . . . . 75.52 111.168 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.54 -50.36 72.09 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.107 0.963 . . . . 74.54 110.089 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.6 mt -73.6 -35.22 65.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.141 -1.39 . . . . 74.35 110.678 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.6 tp -58.65 -48.8 79.82 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.461 0.705 . . . . 73.23 110.509 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.585 HD21 HD12 ' A' ' 443' ' ' LEU . 63.6 mt -75.82 -23.81 55.8 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.218 -0.901 . . . . 64.34 111.185 -177.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -69.39 -38.47 78.0 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.939 -0.393 . . . . 71.35 109.939 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -85.4 -15.18 43.96 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.881 -0.6 . . . . 63.43 111.668 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -53.06 -59.02 5.06 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.422 1.089 . . . . 70.2 110.721 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.82 -39.34 79.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 114.731 -1.122 . . . . 52.1 111.378 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -63.17 -47.58 82.05 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.109 0.963 . . . . 63.11 110.49 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.448 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.1 t80 -67.87 -57.66 5.88 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 125.098 1.359 . . . . 73.42 111.762 -173.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.21 -40.05 92.54 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.947 0.779 . . . . 73.12 110.832 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.54 -43.16 97.89 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.178 0.299 . . . . 61.33 111.283 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -59.94 -40.67 89.75 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 123.589 0.556 . . . . 65.53 111.307 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.582 ' O ' ' HG2' ' A' ' 48' ' ' MET . 63.0 mt -60.86 -60.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-N 115.745 -0.661 . . . . 62.11 109.383 173.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.49 -30.94 63.55 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.273 0.629 . . . . 75.21 112.301 -174.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 t -84.81 -22.99 29.31 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 112.761 0.652 . . . . 54.04 112.761 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.56 HG23 ' SD ' ' A' ' 48' ' ' MET . 34.1 m -77.07 -29.11 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 CA-C-N 119.16 0.891 . . . . 73.3 110.213 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 62.6 mmm -85.75 -19.67 30.43 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.403 0.52 . . . . 74.21 112.403 -175.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.07 -24.55 62.35 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 118.191 0.451 . . . . 60.43 110.751 172.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -78.02 -12.06 59.96 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.474 0.71 . . . . 73.24 110.9 169.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 59.82 27.53 16.86 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.32 1.448 . . . . 74.2 111.579 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m 61.77 98.94 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.172 0 O-C-N 124.434 1.084 . . . . 74.43 110.251 -170.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.515 ' O ' HG12 ' A' ' 56' ' ' ILE . 48.8 Cg_exo -57.23 124.74 16.88 Favored 'Trans proline' 0 C--N 1.371 1.719 0 C-N-CA 122.541 2.161 . . . . 65.2 110.626 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 27.3 Cg_exo -64.99 -8.0 16.88 Favored 'Trans proline' 0 C--N 1.368 1.574 0 C-N-CA 122.674 2.249 . . . . 65.44 114.754 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.61 58.49 5.0 Favored Glycine 0 C--N 1.353 1.511 0 C-N-CA 122.674 0.178 . . . . 73.0 112.695 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 53' ' ' PRO . 50.9 mm -122.49 117.83 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.45 1.1 . . . . 54.32 109.142 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.6 t -75.58 166.2 23.94 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.427 -0.583 . . . . 75.21 109.427 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -68.26 -25.66 65.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.827 0.451 . . . . 62.5 112.081 -169.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.6 t -70.52 -46.61 63.3 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.022 0.529 . . . . 73.34 110.276 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.557 HG23 HG12 ' A' ' 8' ' ' ILE . 91.2 mt -64.07 -41.97 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.29 0.636 . . . . 71.53 110.286 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -60.84 -38.86 86.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.495 1.118 . . . . 74.44 111.052 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.37 -47.23 77.11 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.809 0.843 . . . . 63.24 110.761 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.9 mtm -56.87 -52.95 63.14 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.856 0.723 . . . . 65.04 109.98 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.3 m -71.99 -29.89 34.75 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 115.249 -0.887 . . . . 73.41 111.714 -175.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.62 -35.81 78.95 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.325 0.511 . . . . 71.32 110.151 173.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.3 -46.38 93.03 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 115.449 -0.796 . . . . 75.05 111.57 171.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.2 m-85 -65.45 -34.38 78.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.108 0.563 . . . . 72.32 112.235 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 64' ' ' VAL . 51.8 mt -73.98 -38.03 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.576 -0.527 . . . . 51.32 109.576 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -38.21 89.79 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.587 -0.523 . . . . 73.12 109.587 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -65.83 -52.19 52.57 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 115.188 -0.915 . . . . 73.45 110.535 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 68' ' ' ILE . 6.1 t -63.75 -37.44 87.39 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 123.658 0.599 . . . . 74.12 110.814 -174.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.7 -46.33 85.97 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.38 0.672 . . . . 75.04 110.842 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.26 -51.32 66.64 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.176 0.922 . . . . 44.12 110.814 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -65.89 -41.88 90.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.574 0.75 . . . . 52.32 110.955 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.511 ' HA ' HD12 ' A' ' 78' ' ' LEU . 37.0 tt0 -73.71 -26.62 60.79 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.193 0.997 . . . . 74.21 111.25 -178.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -68.39 -41.76 80.05 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.726 0.81 . . . . 72.14 109.641 171.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.29 -31.99 70.85 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.51 -0.768 . . . . 62.11 110.508 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 75' ' ' GLU . 98.1 mt -63.27 -45.32 92.0 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.958 0.503 . . . . 74.55 109.889 171.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -53.14 -54.47 35.31 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.392 0.677 . . . . 72.04 110.646 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.92 -45.66 62.81 Favored Glycine 0 C--N 1.35 1.338 0 O-C-N 123.903 0.752 . . . . 63.54 113.988 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.0 -55.39 26.09 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.772 0.829 . . . . 73.22 109.824 -176.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.67 -31.49 72.67 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.9 -0.591 . . . . 64.33 111.013 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.89 -45.69 89.66 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 122.677 0.391 . . . . 72.01 110.95 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.1 -47.78 84.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.189 -0.914 . . . . 64.03 110.39 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.2 mmp_? -61.02 -46.99 88.51 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.029 0.831 . . . . 52.23 111.247 -176.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 443' ' ' LEU . 62.7 mt -64.54 -36.46 84.29 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.071 0.948 . . . . 73.24 111.628 -178.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.12 -43.57 98.55 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.927 0.767 . . . . 73.42 110.525 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -69.59 -40.82 76.46 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.685 0.794 . . . . 64.44 110.893 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 94.6 mt -61.18 -51.88 67.16 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.196 0.598 . . . . 71.21 109.786 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 t -61.38 -34.33 75.15 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.746 1.218 . . . . 74.12 111.819 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.2 t -62.33 -46.77 87.22 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.567 -0.742 . . . . 74.43 110.428 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.36 -40.09 74.24 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.778 -0.646 . . . . 75.34 111.689 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.38 -44.53 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.762 0.825 . . . . 71.25 109.928 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.81 -27.73 67.16 Favored Glycine 0 C--N 1.344 1.0 0 O-C-N 123.743 0.652 . . . . 75.25 113.554 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -80.81 -51.82 8.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 122.998 0.519 . . . . 75.35 110.892 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.6 m -78.78 -29.05 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 112.987 0.736 . . . . 73.14 112.987 -171.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 107.699 -1.223 . . . . 71.11 107.699 -178.777 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.875 -0.417 . . . . 73.35 109.875 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.49 -45.33 92.0 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.543 0.737 . . . . 65.51 111.206 173.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.1 mt-10 -60.44 -53.94 51.51 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 124.207 0.942 . . . . 62.12 110.87 -175.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.3 t -61.18 -43.38 98.97 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.674 0.609 . . . . 72.11 111.485 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.24 -40.88 87.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 122.373 0.269 . . . . 75.43 110.345 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.86 79.43 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.512 0.725 . . . . 42.43 111.799 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.2 mmt180 -68.84 -54.35 16.2 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.097 -0.705 . . . . 74.13 109.097 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -69.65 -26.16 64.27 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.35 -0.841 . . . . 73.31 112.076 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -76.04 -38.46 57.18 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.703 0.801 . . . . 51.05 109.768 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.28 -55.22 26.6 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.206 -0.664 . . . . 75.41 109.206 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -54.34 -41.05 68.63 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.885 0.874 . . . . 65.43 111.352 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -61.62 -62.88 1.5 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-N 116.066 -0.515 . . . . 53.51 110.297 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 40.2 m -62.63 -35.16 78.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.036 0.934 . . . . 64.25 112.454 -172.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -69.08 -47.45 65.24 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.574 0.75 . . . . 73.0 111.322 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.585 HD12 HD21 ' A' ' 34' ' ' LEU . 8.1 mp -73.81 -19.62 60.7 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.457 0.303 . . . . 63.43 110.75 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.34 -42.25 23.3 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.338 1.055 . . . . 65.33 110.974 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.0 t -72.0 -34.09 68.61 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.414 -0.587 . . . . 73.54 109.414 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.559 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.1 ttt -60.41 -45.32 94.0 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 123.844 0.715 . . . . 64.02 109.499 170.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.46 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 33.1 ttm -60.53 -49.11 78.84 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.66 1.225 . . . . 73.15 112.56 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 41.8 p -65.1 -38.83 91.98 Favored 'General case' 0 C--O 1.246 0.895 0 O-C-N 123.482 0.489 . . . . 72.24 110.765 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -72.14 -40.7 67.86 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 115.804 -0.635 . . . . 64.33 111.518 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.559 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -72.7 -23.53 60.88 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 120.899 0.38 . . . . 73.4 110.446 -177.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.72 -50.11 53.42 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 124.148 0.979 . . . . 74.22 109.464 173.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -59.64 -46.6 88.53 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 114.902 -1.044 . . . . 70.42 110.921 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 40.1 p -62.68 -61.79 2.18 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 118.397 -0.811 . . . . 74.11 110.123 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 76.1 p -53.53 -28.98 34.33 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.19 0.596 . . . . 72.42 112.601 -178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.425 ' O ' HG22 ' A' ' 458' ' ' THR . 33.2 t -61.61 -62.31 1.9 Allowed 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.609 0.568 . . . . 73.15 110.868 174.29 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' TYR . . . . . 0.491 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 3.0 p90 -72.84 -20.6 61.1 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 112.053 0.39 . . . . 72.44 112.053 -177.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.52 HD21 HG23 ' A' ' 44' ' ' ILE . 70.8 mt -74.19 -37.22 63.99 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.262 0.625 . . . . 73.5 110.951 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 455' ' ' SER . 7.1 t -74.6 -32.0 62.21 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 110.267 -0.271 . . . . 71.42 110.267 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.89 -53.46 57.63 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.278 0.561 . . . . 71.4 109.617 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -61.86 -35.18 77.53 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 114.331 -1.304 . . . . 74.51 111.217 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 461' ' ' PHE . . . . . 0.411 ' HB2' HG21 ' A' ' 68' ' ' ILE . 30.0 t80 -65.58 -56.32 12.9 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.321 0.648 . . . . 73.44 110.353 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 32.0 m -61.0 -35.52 77.04 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 124.17 0.919 . . . . 64.11 111.187 -175.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.8 -52.04 14.39 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.172 0.589 . . . . 64.24 110.971 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 464' ' ' MET . . . . . 0.422 ' SD ' HG23 ' A' ' 64' ' ' VAL . 52.8 ttm -62.03 -33.98 75.36 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 115.611 -0.722 . . . . 72.12 110.784 -177.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -81.51 -69.67 0.59 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.911 -0.774 . . . . 44.25 108.911 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.11 79.37 1.83 Allowed 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.123 0.569 . . . . 41.33 112.427 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.253 1.264 0 O-C-N 121.366 -0.833 . . . . 55.35 109.382 167.197 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 N--CA 1.484 1.252 0 CA-C-O 120.82 0.343 . . . . 64.43 111.739 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -63.74 -37.15 86.3 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.857 0.863 . . . . 50.43 111.122 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 8' ' ' ILE . 7.1 m -77.48 -34.79 54.2 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.461 -0.79 . . . . 72.15 111.548 -175.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -73.31 -42.72 57.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 118.218 0.463 . . . . 63.53 110.688 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.76 -36.55 84.24 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.471 0.308 . . . . 35.42 110.178 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.606 ' HE1' HG23 ' A' ' 52' ' ' THR . 79.9 t80 -52.86 -56.14 18.03 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.238 1.015 . . . . 62.44 111.396 171.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.54 HG12 HG23 ' A' ' 60' ' ' ILE . 72.4 mt -58.57 -52.29 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 123.607 0.763 . . . . 64.21 111.509 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 86.6 m-20 -56.52 -50.71 71.01 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.326 1.016 . . . . 74.25 111.374 -175.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -68.27 -42.0 80.21 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.651 0.594 . . . . 71.43 111.117 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -62.53 -39.45 93.6 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 118.144 0.429 . . . . 74.33 111.282 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -56.5 -48.58 76.89 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.5 0.5 . . . . 75.42 110.163 172.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 75.8 mmt-85 -60.9 -41.16 95.53 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 123.722 0.639 . . . . 71.33 110.765 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.88 -44.28 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.075 0.95 . . . . 74.01 110.997 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.09 -40.06 71.77 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.52 0.328 . . . . 74.53 111.863 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.29 -40.88 86.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.035 0.534 . . . . 75.51 111.172 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 92.7 mt -70.47 -48.86 53.76 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.548 0.739 . . . . 73.34 109.694 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.472 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.4 p -56.48 -41.26 76.28 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.816 0.698 . . . . 65.12 111.476 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.34 -52.65 64.36 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.385 1.053 . . . . 75.04 111.533 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -61.97 -47.31 85.42 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.484 -0.78 . . . . 73.35 111.334 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.523 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -76.15 -19.85 58.09 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 122.919 0.488 . . . . 73.51 111.708 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.91 -44.95 83.7 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.395 -0.595 . . . . 61.43 109.395 172.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 34.4 mt-10 -60.62 -40.33 91.48 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.496 -1.229 . . . . 60.22 110.452 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 21' ' ' LEU . 88.1 mt -65.35 -38.46 90.15 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.436 0.695 . . . . 55.34 111.488 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.9 75.29 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.429 0.692 . . . . 63.1 111.566 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -77.16 -19.35 56.94 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.874 -0.603 . . . . 74.51 111.204 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.563 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -80.26 -20.43 44.51 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.226 0.61 . . . . 72.23 110.834 171.229 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.91 11.41 73.59 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 123.064 0.227 . . . . 44.5 113.171 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.563 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 40.2 mm-40 -70.39 82.22 0.56 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.513 0.725 . . . . 63.2 109.647 173.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -74.23 -41.36 61.45 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.284 0.233 . . . . 64.53 110.809 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.6 -50.48 67.94 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.119 0.968 . . . . 52.2 110.708 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.4 mt -70.94 -38.19 72.87 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.064 -1.426 . . . . 72.23 110.822 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 21' ' ' LEU . 58.7 tp -59.9 -46.45 89.3 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.873 0.869 . . . . 54.43 111.384 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.553 HD21 HD12 ' A' ' 443' ' ' LEU . 63.0 mt -75.23 -27.65 59.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.452 1.101 . . . . 72.33 111.07 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -69.44 -33.65 73.26 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.996 0.427 . . . . 74.25 109.991 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -82.55 -22.9 34.76 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.945 0.898 . . . . 65.32 111.665 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -49.48 -55.01 14.72 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.865 1.266 . . . . 64.55 111.019 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.3 m -60.14 -43.73 93.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 114.717 -1.128 . . . . 64.42 111.676 -174.093 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -66.85 -53.67 30.15 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.734 0.814 . . . . 62.13 110.765 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.472 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 20.3 t80 -59.79 -58.74 7.24 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.807 -1.542 . . . . 72.51 112.005 -175.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.3 -40.62 97.88 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.48 -0.782 . . . . 71.01 110.926 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.79 -39.53 77.72 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.891 0.476 . . . . 74.13 111.625 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.1 m -62.99 -44.37 96.22 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 123.691 0.619 . . . . 63.41 111.529 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.447 HG23 HD21 ' A' ' 457' ' ' LEU . 51.2 mt -63.15 -44.88 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 CA-C-O 121.787 0.803 . . . . 74.23 110.639 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 45.6 mt-10 -60.55 -47.21 87.17 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 114.867 -1.06 . . . . 74.32 109.828 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -74.55 -30.07 61.6 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.154 0.427 . . . . 60.33 112.154 -171.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 m -69.08 -32.82 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.661 0.664 . . . . 73.33 110.106 173.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.0 mmt -80.57 -24.22 39.36 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.248 0.462 . . . . 64.25 112.248 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 11.4 mm-40 -77.9 -24.45 48.38 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.23 0.468 . . . . 71.12 110.033 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -83.23 -2.12 54.79 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.203 0.601 . . . . 74.52 109.766 170.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 68.98 9.06 7.21 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.739 1.616 . . . . 64.44 112.442 175.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.606 HG23 ' HE1' ' A' ' 7' ' ' PHE . 53.5 m 62.09 105.38 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.263 0 C-N-CA 124.818 1.247 . . . . 75.14 110.83 -173.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -46.42 125.18 8.78 Favored 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 123.577 2.851 . . . . 73.22 112.972 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.98 -22.69 14.6 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.826 2.35 . . . . 72.42 113.926 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.79 70.11 3.23 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-O 120.969 0.205 . . . . 65.01 112.723 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.0 mm -120.29 121.91 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.234 1.013 . . . . 71.44 109.422 -174.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 t -75.26 164.65 26.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.947 0.499 . . . . 70.53 110.377 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -67.91 -18.24 64.72 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 112.801 0.667 . . . . 70.25 112.801 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.5 m -72.26 -45.01 61.96 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.408 0.623 . . . . 61.42 111.077 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.54 HG23 HG12 ' A' ' 8' ' ' ILE . 84.6 mt -74.34 -37.81 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 114.88 -1.055 . . . . 75.05 109.543 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -63.14 -34.07 76.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.098 0.959 . . . . 75.2 110.291 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.1 -51.0 63.89 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.585 0.754 . . . . 53.41 111.23 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 64.1 mtm -56.33 -52.82 63.14 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.566 0.541 . . . . 73.43 110.841 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 68' ' ' ILE . 19.8 m -74.73 -27.71 20.94 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 CA-C-N 115.535 -0.757 . . . . 74.13 111.927 -173.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.95 81.59 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.143 0.429 . . . . 52.2 110.249 170.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.64 -42.14 93.54 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-N 115.868 -0.605 . . . . 64.21 112.175 173.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.44 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 24.2 m-85 -65.81 -43.49 88.49 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.101 0.56 . . . . 63.22 111.625 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 64' ' ' VAL . 67.7 mt -67.54 -42.9 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 109.34 -0.615 . . . . 63.33 109.34 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -57.68 -49.85 75.12 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.844 0.458 . . . . 64.34 110.913 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -67.22 -40.17 86.34 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.943 -0.571 . . . . 72.03 110.283 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -27.39 65.28 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.418 -0.356 . . . . 62.54 110.838 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.43 -48.75 63.78 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.72 0.808 . . . . 74.52 110.842 174.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 24.1 t70 -56.9 -53.25 60.09 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.311 1.007 . . . . 64.22 110.044 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -62.79 -45.18 93.85 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.596 -1.184 . . . . 63.31 111.107 -175.464 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.578 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.6 tt0 -73.92 -24.5 59.68 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.604 0.761 . . . . 74.13 111.892 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -72.39 -37.62 68.67 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.098 0.559 . . . . 74.21 110.06 172.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 68.3 mt -69.52 -32.91 72.04 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.76 -0.655 . . . . 71.42 110.102 176.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 75' ' ' GLU . 81.3 mt -63.84 -46.48 84.85 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.077 0.551 . . . . 75.21 109.82 172.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.05 -51.6 63.54 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.822 0.849 . . . . 74.43 111.286 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.7 -44.27 71.42 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 123.63 0.581 . . . . 74.12 113.679 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.11 -53.96 41.4 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.643 0.777 . . . . 75.2 109.711 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.83 -24.21 66.13 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.675 -0.693 . . . . 74.13 111.192 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.7 -46.5 87.85 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.254 0.479 . . . . 62.31 110.552 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -59.51 -48.92 79.78 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.414 1.071 . . . . 62.14 110.046 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.8 mmp_? -59.58 -49.02 79.4 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.425 -0.807 . . . . 71.32 111.383 -176.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 443' ' ' LEU . 73.9 mt -69.7 -28.23 65.67 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.682 0.793 . . . . 74.11 111.694 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.13 -44.41 88.8 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.361 0.6 . . . . 72.22 109.776 175.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -70.35 -45.04 66.93 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 114.813 -1.085 . . . . 72.24 111.259 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 93' ' ' ILE . 91.9 mt -62.96 -42.72 99.91 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 123.545 0.738 . . . . 63.44 110.147 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.4 t -59.7 -45.85 90.87 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.467 0.707 . . . . 72.12 110.484 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.2 t -59.87 -42.56 93.98 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.874 0.734 . . . . 61.13 111.086 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.68 -47.62 80.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.267 0.627 . . . . 72.24 111.002 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 89' ' ' LEU . 80.3 mt -58.83 -42.3 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.676 0.791 . . . . 70.13 110.067 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.73 -33.65 87.83 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 116.167 -0.469 . . . . 73.11 113.402 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.35 -35.74 24.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.395 0.678 . . . . 74.11 111.784 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.496 HG23 HG22 ' A' ' 433' ' ' VAL . 31.2 m -89.68 -27.79 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 122.535 0.334 . . . . 53.01 111.737 -175.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 108.369 -0.975 . . . . 72.43 108.369 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.824 -0.436 . . . . 70.53 109.824 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.68 -39.11 83.44 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.716 0.807 . . . . 74.44 111.677 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.4 mt-10 -67.32 -58.13 5.36 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.011 0.819 . . . . 75.24 110.749 -177.314 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 10.0 t -61.5 -40.67 95.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.658 0.383 . . . . 72.14 111.681 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 433' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 96' ' ' VAL . 55.9 t -61.06 -49.04 86.33 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 CA-C-O 119.163 -0.446 . . . . 72.51 109.926 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.2 -34.04 71.68 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.607 0.567 . . . . 71.05 111.95 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.7 mmt180 -69.95 -52.95 20.23 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 110.287 -0.264 . . . . 73.24 110.287 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -69.39 -24.94 63.93 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.337 -0.392 . . . . 71.52 111.693 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -76.3 -39.8 53.22 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.57 1.148 . . . . 60.33 109.805 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.05 -48.11 66.52 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.978 0.511 . . . . 42.31 110.468 176.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.45 -40.37 90.88 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.989 0.516 . . . . 75.31 110.661 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.54 -56.17 22.95 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 122.866 0.466 . . . . 74.11 109.811 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 58.5 m -62.85 -34.23 76.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.914 1.285 . . . . 73.13 112.996 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -79.62 -46.15 17.77 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.111 0.564 . . . . 61.41 111.125 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.553 HD12 HD21 ' A' ' 34' ' ' LEU . 10.0 mp -67.98 -19.65 64.96 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 110.389 -0.226 . . . . 74.34 110.389 172.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -78.7 -48.62 14.62 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.689 1.196 . . . . 71.31 110.951 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -65.3 -33.65 76.49 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.597 -0.52 . . . . 75.22 109.597 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.644 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.8 ttt -62.24 -50.92 69.81 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 123.564 0.54 . . . . 71.12 110.004 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.424 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 33.3 ttm -58.99 -48.96 79.69 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.005 0.816 . . . . 52.22 112.466 -176.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 32.7 p -64.3 -45.84 86.21 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.347 0.659 . . . . 71.3 110.732 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -66.95 -40.31 87.5 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.787 -0.642 . . . . 64.34 111.428 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.644 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.1 pp -73.64 -24.34 59.99 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 123.107 0.254 . . . . 55.43 110.371 -177.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -73.29 -42.24 62.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.716 0.806 . . . . 44.42 109.206 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -67.57 -43.59 80.25 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.975 -1.012 . . . . 64.42 110.901 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 34.8 p -63.65 -60.02 3.86 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-O 118.638 -0.696 . . . . 70.24 109.587 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 87.1 p -54.46 -31.34 55.41 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.506 0.722 . . . . 44.44 112.207 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.4 t -59.5 -65.2 0.71 Allowed 'General case' 0 C--O 1.247 0.951 0 O-C-N 123.696 0.623 . . . . 74.52 110.638 173.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.68 -21.35 63.52 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 111.983 0.364 . . . . 74.25 111.983 -176.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.447 HD21 HG23 ' A' ' 44' ' ' ILE . 43.8 mt -73.51 -43.43 60.09 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.709 0.803 . . . . 74.32 110.897 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 11.2 t -70.71 -37.21 73.54 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.49 0.186 . . . . 73.11 110.806 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -68.33 -47.41 67.61 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.044 -0.525 . . . . 53.33 110.311 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -64.99 -33.89 77.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.888 0.875 . . . . 74.22 110.983 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 461' ' ' PHE . . . . . 0.413 ' HB2' HG21 ' A' ' 68' ' ' ILE . 34.5 t80 -63.23 -47.13 83.79 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.225 0.61 . . . . 53.51 110.521 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 28.0 m -61.22 -31.24 71.02 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 123.584 0.553 . . . . 74.13 110.527 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.89 -54.55 8.43 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.095 0.558 . . . . 60.33 111.83 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 49.8 ttm -67.01 -32.25 73.35 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.959 0.904 . . . . 74.01 110.986 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -77.87 -66.08 0.89 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 108.942 -0.762 . . . . 65.25 108.942 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.74 77.41 1.51 Allowed 'General case' 0 CA--C 1.563 1.473 0 C-N-CA 122.817 0.447 . . . . 73.24 111.982 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.489 1.494 0 C-N-CA 123.555 0.742 . . . . 70.31 112.16 166.645 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 112.787 0.662 . . . . 72.43 112.787 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -60.49 -38.28 83.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.454 0.702 . . . . 70.31 111.283 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 39.3 m -71.13 -43.68 67.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.687 0.795 . . . . 71.25 111.567 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.02 -37.76 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.007 0.367 . . . . 71.12 110.809 -174.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.3 -33.72 71.89 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.624 0.37 . . . . 72.11 110.041 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 4' ' ' THR . 57.5 t80 -57.6 -56.34 23.21 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.711 0.804 . . . . 71.3 110.47 171.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 99.7 mt -56.61 -55.02 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 124.361 1.064 . . . . 65.23 111.212 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 4.3 m-20 -60.61 -52.43 65.19 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 114.571 -1.195 . . . . 72.43 111.043 -173.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 14' ' ' ILE . 78.6 mtm180 -74.65 -32.22 62.19 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 118.371 -0.823 . . . . 73.41 112.221 -170.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -64.41 -38.81 92.33 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 119.008 0.822 . . . . 72.11 110.378 171.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.6 -41.65 97.76 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 123.469 0.481 . . . . 72.23 110.043 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 30.9 mmt180 -59.44 -49.62 77.1 Favored 'General case' 0 C--N 1.362 1.132 0 O-C-N 123.689 0.618 . . . . 74.23 109.621 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' ARG . 97.1 mt -55.08 -41.82 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 124.543 1.137 . . . . 70.2 111.537 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.46 80.99 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.315 0.646 . . . . 61.02 111.522 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.98 -35.15 76.39 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.338 0.655 . . . . 53.34 111.13 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.0 mt -69.44 -53.52 18.87 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.798 0.839 . . . . 73.04 109.613 -177.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.479 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 50.9 p -56.98 -43.67 81.9 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 124.459 1.099 . . . . 70.51 111.231 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -56.1 -51.96 66.01 Favored 'General case' 0 C--O 1.245 0.839 0 O-C-N 124.26 0.975 . . . . 74.22 110.819 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.423 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 56.3 m -60.61 -58.27 9.17 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.026 0.829 . . . . 71.24 111.027 -177.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.627 ' HB2' HD12 ' A' ' 33' ' ' LEU . 3.7 pp -67.88 -22.56 65.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.158 0.583 . . . . 73.34 112.43 -173.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 74' ' ' ASN . 60.1 tp -64.05 -48.99 74.1 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.233 -0.654 . . . . 74.51 109.233 172.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.71 -36.61 84.42 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 114.528 -1.215 . . . . 64.13 110.455 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 32' ' ' LEU . 64.5 mt -70.6 -31.59 68.63 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.567 0.747 . . . . 72.22 111.504 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.448 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -71.1 -45.76 63.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.721 0.808 . . . . 62.12 111.002 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -72.24 -28.06 62.91 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.935 0.494 . . . . 63.52 110.678 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -68.88 -26.09 64.94 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.545 0.738 . . . . 72.35 110.419 171.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.01 3.18 68.19 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 116.206 -0.452 . . . . 42.42 112.996 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.08 82.22 2.92 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 109.347 -0.612 . . . . 72.25 109.347 174.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -65.25 -29.06 69.8 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.153 -0.93 . . . . 73.13 110.578 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.66 -51.26 70.71 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.337 1.055 . . . . 54.32 110.671 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 24' ' ' LEU . 79.0 mt -75.1 -33.82 61.65 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.223 -0.899 . . . . 63.42 111.088 -176.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 21' ' ' LEU . 48.9 tp -58.32 -52.64 64.76 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.922 0.889 . . . . 75.14 110.613 172.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.556 HD21 HD12 ' A' ' 443' ' ' LEU . 99.0 mt -70.03 -27.09 64.38 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.872 0.869 . . . . 45.24 111.782 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -62.27 -45.21 94.3 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.445 -0.576 . . . . 71.22 109.445 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 86.1 mm-40 -82.91 -13.07 56.77 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.343 -0.844 . . . . 73.53 111.736 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.48 -55.12 38.95 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.807 0.843 . . . . 64.22 110.956 174.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 m -56.68 -45.8 82.78 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 O-C-N 124.37 1.044 . . . . 54.14 111.094 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 p -67.89 -47.8 67.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.502 0.721 . . . . 70.43 110.669 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 30.0 t80 -59.29 -59.18 5.87 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.065 0.946 . . . . 71.3 112.099 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.98 -38.66 91.7 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 123.917 0.761 . . . . 60.54 110.68 -176.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -59.89 -42.59 94.11 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.288 0.367 . . . . 61.04 111.119 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.408 ' HA ' HG22 ' A' ' 46' ' ' THR . 71.9 m -63.4 -40.52 97.43 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.436 0.694 . . . . 72.35 111.451 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG23 HD21 ' A' ' 457' ' ' LEU . 68.1 mt -64.32 -44.54 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.093 0.473 . . . . 61.25 110.756 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.82 -34.89 67.14 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.093 -0.503 . . . . 74.52 111.768 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 43' ' ' SER . 11.0 t -74.47 -34.11 63.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.022 0.129 . . . . 74.51 110.775 -178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.01 -29.87 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 O-C-N 122.145 -0.347 . . . . 61.11 110.136 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' ' 51' ' ' GLN . 21.5 mmt -79.69 -11.3 59.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.312 0.645 . . . . 53.23 112.292 175.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.45 -31.69 70.16 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 109.196 -0.668 . . . . 74.51 109.196 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -90.0 -24.76 21.14 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.934 0.894 . . . . 64.51 110.43 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 48' ' ' MET . 52.1 tt0 61.44 -79.36 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.917 1.687 . . . . 63.51 109.958 -169.117 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.2 m -152.38 115.77 2.91 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 124.335 1.054 . . . . 70.25 108.256 172.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.96 139.64 91.75 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.27 1.98 . . . . 75.21 111.093 166.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.31 -21.37 61.52 Favored 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.449 2.1 . . . . 75.13 113.271 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.37 58.47 4.99 Favored Glycine 0 C--N 1.351 1.401 0 C-N-CA 122.67 0.176 . . . . 65.4 112.742 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mm -122.23 117.06 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.211 1.004 . . . . 61.21 108.8 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t -79.25 173.12 12.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.791 0.836 . . . . 73.33 110.488 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -23.95 65.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.345 0.658 . . . . 74.15 112.104 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 t -70.4 -56.87 5.61 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.587 -0.523 . . . . 74.42 109.587 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.23 -35.83 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.303 1.041 . . . . 50.22 110.988 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -57.66 -47.48 82.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.008 0.923 . . . . 51.01 110.628 175.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.78 -35.35 74.82 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 123.935 0.772 . . . . 72.23 110.819 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.4 mtp -60.33 -60.34 3.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.221 1.008 . . . . 73.25 110.644 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.8 m -70.59 -24.14 25.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.918 0 CA-C-N 115.236 -0.893 . . . . 74.02 111.066 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.37 93.57 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.71 -0.478 . . . . 64.24 109.71 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.95 -43.42 98.93 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 115.939 -0.573 . . . . 65.22 112.107 174.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -64.54 -41.65 96.21 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.22 0.608 . . . . 74.14 112.0 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 461' ' ' PHE . 61.8 mt -72.45 -37.06 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.59 -0.522 . . . . 70.1 109.59 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -63.68 -40.11 95.99 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 110.207 -0.294 . . . . 74.11 110.207 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -61.5 -50.16 73.83 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 115.882 -0.599 . . . . 72.33 110.229 174.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.36 -32.68 73.78 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.434 -0.803 . . . . 64.51 110.975 -173.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.75 -44.81 84.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.545 0.738 . . . . 73.42 110.255 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.73 -51.1 70.79 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.316 -0.856 . . . . 72.14 110.615 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' HA ' HD22 ' A' ' 22' ' ' LEU . 70.5 m-20 -65.76 -44.78 84.84 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.231 -0.895 . . . . 64.23 111.212 -177.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.579 ' HA ' HD12 ' A' ' 78' ' ' LEU . 44.0 tt0 -70.02 -28.02 65.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.355 1.062 . . . . 73.31 112.037 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.22 -42.15 72.68 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.202 0.525 . . . . 63.31 109.721 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.8 -31.06 71.81 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.479 -0.782 . . . . 71.01 111.1 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.4 mt -62.31 -49.51 75.33 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.794 0.437 . . . . 60.13 110.047 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -51.9 -54.52 28.34 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 124.123 0.889 . . . . 75.54 110.458 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.71 -58.5 11.93 Favored Glycine 0 C--N 1.354 1.547 0 O-C-N 123.714 0.634 . . . . 64.32 113.876 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.83 -56.03 26.85 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.526 1.131 . . . . 64.45 110.635 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD22 HD23 ' A' ' 443' ' ' LEU . 77.4 mt -64.8 -35.18 80.28 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 118.621 -0.704 . . . . 73.01 110.931 -176.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -61.66 -39.54 91.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 118.358 0.526 . . . . 62.32 111.389 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 25.3 mt-30 -61.79 -50.61 71.67 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.609 -0.723 . . . . 71.41 110.144 174.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -44.24 92.13 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.06 0.944 . . . . 64.52 111.618 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.716 HD21 ' HB2' ' A' ' 443' ' ' LEU . 91.9 mt -69.82 -36.52 75.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.352 1.061 . . . . 74.21 111.696 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.22 -37.61 88.1 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.705 0.628 . . . . 73.35 109.815 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 39.8 mt-10 -65.12 -47.95 75.31 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 114.964 -1.016 . . . . 71.02 110.631 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.45 ' O ' HG13 ' A' ' 93' ' ' ILE . 97.1 mt -59.55 -41.03 89.19 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.445 0.698 . . . . 75.24 111.005 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.1 t -63.21 -40.52 97.71 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.399 1.08 . . . . 70.24 111.023 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 32.4 t -63.17 -45.54 91.32 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 115.385 -0.825 . . . . 72.14 110.009 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.446 ' O ' HG22 ' A' ' 96' ' ' VAL . 95.7 mt -60.13 -39.46 86.38 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.037 0.935 . . . . 72.11 111.426 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 89' ' ' LEU . 75.7 mt -62.25 -46.24 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.342 0.657 . . . . 75.01 109.471 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.76 -26.59 67.13 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 116.09 -0.505 . . . . 73.11 113.887 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.6 mm100 -82.5 -50.38 8.9 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.404 0.681 . . . . 70.52 111.346 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 92' ' ' LEU . 26.8 m -83.83 -44.63 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 C-N-CA 122.539 0.336 . . . . 70.45 111.804 -173.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HA ' HD11 ' A' ' 429' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 108.443 -0.947 . . . . 64.32 108.443 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.785 -0.45 . . . . 51.31 109.785 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -61.86 -43.02 99.7 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.152 0.581 . . . . 63.33 111.297 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.67 -52.38 52.06 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.127 0.892 . . . . 45.41 110.871 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.2 t -65.1 -39.56 93.3 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 123.827 0.704 . . . . 71.21 111.217 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.04 -38.57 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.125 0.57 . . . . 52.53 110.862 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.96 83.55 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.88 0.472 . . . . 75.11 110.485 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -73.22 -47.12 46.03 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 123.308 0.643 . . . . 73.33 111.221 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -61.98 -44.36 96.91 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 123.257 0.348 . . . . 75.35 111.151 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.31 -42.85 92.61 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.068 0.855 . . . . 71.3 110.397 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.91 -58.77 7.1 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.735 0.647 . . . . 60.01 110.715 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -63.09 -38.82 92.71 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.204 0.602 . . . . 74.23 111.235 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 440' ' ' PHE . . . . . 0.45 ' HA ' HD22 ' A' ' 86' ' ' LEU . 82.5 t80 -61.82 -62.49 1.76 Allowed 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.633 0.583 . . . . 64.02 109.486 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 59.7 m -56.63 -37.88 71.35 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.19 0.931 . . . . 60.33 112.059 -174.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -65.78 -54.17 30.53 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.398 0.679 . . . . 72.11 111.784 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.716 ' HB2' HD21 ' A' ' 86' ' ' LEU . 9.1 mp -71.17 -23.94 62.15 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.462 0.305 . . . . 71.43 111.309 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -79.8 -38.31 33.27 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.093 0.957 . . . . 63.35 111.349 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.0 t -75.46 -31.9 60.44 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.201 -0.666 . . . . 54.14 109.201 174.684 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.596 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.5 ttt -60.22 -41.76 93.74 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 109.218 -0.66 . . . . 71.4 109.218 170.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.538 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 27.6 ttm -64.9 -49.04 72.0 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.469 1.106 . . . . 65.44 112.286 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 20.6 p -63.42 -37.24 86.53 Favored 'General case' 0 C--O 1.242 0.694 0 O-C-N 123.647 0.592 . . . . 64.11 110.803 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -69.6 -46.02 67.26 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 115.967 -0.561 . . . . 75.33 110.921 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.596 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.3 pp -73.75 -18.25 61.0 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 117.842 0.292 . . . . 71.41 111.391 -175.469 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -80.4 -41.48 24.54 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.283 0.633 . . . . 54.15 109.396 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -61.36 -48.09 82.86 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 115.614 -0.721 . . . . 61.44 109.779 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.435 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 68.8 p -62.34 -56.71 15.75 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 118.014 -0.993 . . . . 72.01 109.64 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 67.1 p -50.18 -38.78 41.42 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.919 0.888 . . . . 61.44 112.654 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -57.87 -64.02 1.05 Allowed 'General case' 0 C--O 1.246 0.915 0 O-C-N 124.087 0.867 . . . . 73.31 110.884 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -72.68 -20.96 61.14 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.407 0.521 . . . . 75.31 112.407 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.423 HD21 HG23 ' A' ' 44' ' ' ILE . 35.6 mt -71.92 -42.51 66.61 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.779 0.832 . . . . 70.11 110.095 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.8 t -73.4 -34.33 65.46 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.546 0.529 . . . . 72.24 110.222 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.04 -49.23 76.81 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.486 0.491 . . . . 73.34 110.336 172.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.95 -37.42 75.85 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.015 -0.993 . . . . 74.34 110.598 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' PHE . . . . . 0.565 ' HB2' HG21 ' A' ' 68' ' ' ILE . 9.1 t80 -60.91 -57.11 14.02 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.296 1.038 . . . . 71.21 110.693 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 29.5 m -63.66 -29.41 70.65 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 123.912 0.758 . . . . 74.35 110.74 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -68.92 -52.04 33.53 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.242 0.617 . . . . 74.1 111.019 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 39.8 ttm -65.04 -35.79 82.28 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.395 0.678 . . . . 65.32 110.663 -174.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -78.6 -64.2 1.23 Allowed 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.433 -0.803 . . . . 62.4 108.946 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.07 81.1 1.96 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.638 0.775 . . . . 64.2 111.955 175.132 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.491 1.619 0 C-N-CA 123.58 0.752 . . . . 64.32 112.135 167.336 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.4 p . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 111.938 0.347 . . . . 54.51 111.938 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 m -66.64 -32.1 73.2 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.876 0.47 . . . . 72.03 111.36 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 83.7 m -74.05 -39.59 63.4 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.758 -0.656 . . . . 73.14 111.647 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 p -75.36 -35.76 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 O-C-N 121.957 -0.465 . . . . 75.24 111.169 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.25 -33.76 72.02 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.717 -0.475 . . . . 73.4 109.717 175.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.469 ' HB3' ' O ' ' A' ' 4' ' ' THR . 38.8 t80 -52.56 -53.22 49.33 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.569 0.748 . . . . 72.12 110.129 168.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.482 HG12 HG23 ' A' ' 60' ' ' ILE . 80.2 mt -57.11 -62.52 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.742 0.817 . . . . 63.5 111.536 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 57.6 m-80 -61.28 -39.61 91.04 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.725 0.81 . . . . 41.14 112.542 -173.03 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 14' ' ' ILE . 69.2 mtm180 -76.82 -34.36 57.9 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 118.365 -0.826 . . . . 72.23 111.457 -175.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.415 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 48.1 m95 -61.62 -39.3 90.77 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 118.923 0.783 . . . . 71.22 110.062 170.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' ASN . 64.7 tt0 -57.72 -44.62 86.08 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 115.375 -0.83 . . . . 71.41 110.435 172.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 65.9 mmt-85 -62.65 -42.32 99.54 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 122.595 0.358 . . . . 71.21 110.37 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.9 mt -59.36 -44.48 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.764 0.826 . . . . 72.32 111.128 -176.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.2 67.9 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 112.249 0.462 . . . . 72.01 112.249 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.11 -40.22 86.81 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.722 0.409 . . . . 75.51 110.616 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 80.3 mt -70.28 -48.69 55.6 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 123.278 0.631 . . . . 72.21 109.809 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 69.2 p -55.81 -43.47 76.92 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.104 0.877 . . . . 64.31 111.339 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.9 -45.49 85.7 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.155 0.909 . . . . 62.33 110.71 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.9 m -61.6 -60.31 3.88 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.97 0.508 . . . . 75.21 111.034 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.594 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -67.36 -20.8 65.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.596 0.759 . . . . 64.22 112.035 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.87 -55.37 26.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.565 -0.531 . . . . 61.54 109.565 170.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 50.1 mt-10 -66.49 -27.19 67.59 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.337 1.023 . . . . 62.3 111.162 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 32' ' ' LEU . 85.8 mt -71.35 -49.83 38.37 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.669 0.788 . . . . 71.54 110.274 175.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -61.63 -37.15 82.94 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.756 0.822 . . . . 74.43 111.484 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -68.99 -43.38 74.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.571 -1.195 . . . . 65.45 110.488 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -78.38 -10.24 59.6 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.722 0.809 . . . . 65.21 109.96 178.317 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.63 -2.91 45.79 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 119.262 -0.743 . . . . 71.1 114.79 170.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.91 92.05 0.69 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.444 0.698 . . . . 75.24 110.925 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -75.37 -32.11 60.72 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.112 -0.495 . . . . 74.34 110.286 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.54 -57.22 13.64 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.943 0.897 . . . . 74.53 110.368 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.626 ' HB3' HD13 ' A' ' 24' ' ' LEU . 95.5 mt -69.3 -35.29 75.83 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 114.658 -1.155 . . . . 73.54 111.226 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 25' ' ' ALA . 52.8 tp -54.22 -58.73 6.28 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.128 0.571 . . . . 42.02 111.085 173.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.592 HD21 HD12 ' A' ' 443' ' ' LEU . 53.4 mt -71.0 -24.15 62.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.059 0.943 . . . . 74.33 111.698 -174.274 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -68.11 -41.64 81.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.821 0.848 . . . . 75.42 109.807 173.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.13 -22.83 35.95 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.254 0.621 . . . . 70.21 111.42 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.91 -55.38 14.65 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.138 1.375 . . . . 53.24 111.411 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.1 m -59.99 -42.09 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.369 -1.287 . . . . 65.13 111.05 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -69.89 -36.47 75.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.531 0.732 . . . . 73.53 111.106 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 29.7 t80 -67.96 -59.38 3.32 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.747 1.219 . . . . 62.55 111.043 -176.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.25 -37.37 87.25 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.674 0.79 . . . . 73.42 110.697 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -55.15 -47.53 74.98 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.217 0.607 . . . . 71.51 110.869 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.467 ' HA ' HG22 ' A' ' 46' ' ' THR . 69.5 m -61.08 -40.75 94.9 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 123.876 0.735 . . . . 72.14 111.602 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG23 HD21 ' A' ' 457' ' ' LEU . 65.7 mt -65.34 -44.83 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.322 0.582 . . . . 71.23 110.686 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.1 -31.54 66.14 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.784 -0.644 . . . . 73.02 111.591 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 43' ' ' SER . 5.5 t -82.89 -26.26 31.71 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.59 0.356 . . . . 55.5 111.256 -175.141 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.85 -36.72 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 109.656 -0.498 . . . . 61.24 109.656 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mmt -73.96 -16.03 61.09 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.2 0.6 . . . . 75.03 111.978 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.29 -31.34 70.72 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.514 0.726 . . . . 71.52 109.778 170.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -104.35 11.46 34.68 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.287 1.035 . . . . 72.12 109.937 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.579 ' HG3' ' H ' ' A' ' 52' ' ' THR . 6.3 pt20 38.16 -94.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.668 1.987 . . . . 64.15 112.988 -172.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.579 ' H ' ' HG3' ' A' ' 51' ' ' GLN . 92.1 m -150.61 112.25 3.19 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 106.002 -1.851 . . . . 65.24 106.002 174.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.437 ' O ' HG12 ' A' ' 56' ' ' ILE . 81.3 Cg_exo -51.37 153.04 10.71 Favored 'Trans proline' 0 C--N 1.378 2.079 0 C-N-CA 123.204 2.603 . . . . 72.21 113.398 176.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.12 -24.03 28.47 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.262 1.975 . . . . 64.21 111.957 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -94.04 60.75 1.96 Allowed Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.973 -0.558 . . . . 52.35 112.268 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.438 HD13 HG23 ' A' ' 4' ' ' THR . 48.5 mm -108.31 105.97 19.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.108 -1.071 . . . . 74.12 108.108 172.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.7 t -74.89 172.28 12.52 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.5 0.5 . . . . 73.22 110.2 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -26.52 67.05 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.209 0.604 . . . . 70.11 110.914 -171.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 63' ' ' MET . 40.5 t -70.85 -51.82 24.11 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.88 0.872 . . . . 72.3 110.327 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.482 HG23 HG12 ' A' ' 8' ' ' ILE . 93.4 mt -61.67 -44.77 99.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 123.994 0.809 . . . . 74.33 110.139 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.04 -41.25 96.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.819 1.248 . . . . 72.33 111.418 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.37 -45.14 77.17 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.425 0.69 . . . . 74.1 111.104 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' A' ' 59' ' ' SER . 51.4 mtm -59.67 -58.64 7.71 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.09 0.556 . . . . 65.1 110.501 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.563 HG23 ' SD ' ' A' ' 464' ' ' MET . 26.4 m -66.01 -31.2 52.63 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.813 0 CA-C-N 115.453 -0.794 . . . . 73.42 111.824 -175.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.38 82.97 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.294 0.497 . . . . 74.05 110.496 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.14 93.33 Favored Glycine 0 C--N 1.355 1.605 0 CA-C-N 116.069 -0.514 . . . . 72.53 111.992 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.448 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 31.8 m-85 -67.95 -36.74 80.62 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.319 0.648 . . . . 71.23 111.396 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 64' ' ' VAL . 74.5 mt -71.08 -40.94 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.295 -0.631 . . . . 65.52 109.295 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -58.89 -43.94 91.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.359 0.664 . . . . 62.42 110.768 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.84 -51.58 64.05 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.389 -0.823 . . . . 73.41 110.89 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 68' ' ' ILE . 4.7 t -65.47 -31.61 72.78 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 123.713 0.633 . . . . 75.11 110.992 -174.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.34 -44.44 79.06 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.463 0.705 . . . . 75.13 111.116 175.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.422 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 25.1 t70 -59.9 -50.19 74.73 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.208 0.943 . . . . 74.11 110.419 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -65.99 -44.86 83.6 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.481 -0.781 . . . . 74.42 110.888 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.632 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.2 tt0 -70.34 -24.74 63.04 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.227 1.011 . . . . 71.31 111.778 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -66.62 -48.99 67.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.453 0.701 . . . . 54.33 109.664 171.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 75.8 mt -66.18 -32.51 73.99 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.498 -0.774 . . . . 62.13 110.522 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.3 mt -62.83 -49.2 75.86 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.459 0.704 . . . . 73.51 110.304 172.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -52.42 -50.63 62.17 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.916 0.887 . . . . 71.03 111.256 -177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.48 -44.23 59.0 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.618 0.574 . . . . 64.43 113.627 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.85 -56.85 16.67 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.975 0.91 . . . . 73.1 109.686 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.27 -30.1 71.31 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 114.855 -1.066 . . . . 73.34 111.0 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -62.14 -44.56 96.34 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 118.265 0.484 . . . . 50.3 110.947 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -62.9 -49.9 73.0 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 124.148 0.905 . . . . 72.15 109.875 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.6 mmp_? -57.53 -54.19 49.64 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 124.123 0.89 . . . . 73.32 111.138 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 443' ' ' LEU . 89.5 mt -61.87 -35.52 78.55 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.108 0.963 . . . . 53.24 112.501 -178.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.44 -44.4 95.86 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.597 0.759 . . . . 70.31 109.726 176.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.1 mt-10 -68.86 -50.47 49.6 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.888 -1.051 . . . . 73.22 110.691 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 85.1 mt -57.97 -44.37 87.05 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.886 0.874 . . . . 70.43 110.288 -177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.2 t -61.59 -45.67 93.1 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.017 0.927 . . . . 71.2 111.074 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.3 t -59.48 -39.25 83.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.829 0.852 . . . . 61.24 110.837 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 96.3 mt -73.0 -42.5 63.2 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.507 -0.77 . . . . 72.23 111.695 -177.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 89' ' ' LEU . 91.4 mt -60.79 -38.5 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.091 0.556 . . . . 74.12 109.949 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.52 -21.95 63.14 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 115.841 -0.618 . . . . 34.33 113.937 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.61 -57.19 3.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.732 0.813 . . . . 61.25 111.534 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.4 m -77.29 -39.75 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 111.948 0.351 . . . . 72.12 111.948 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 108.203 -1.036 . . . . 63.54 108.203 -177.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.093 -0.706 . . . . 73.22 109.093 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.09 -45.86 91.64 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.287 0.635 . . . . 74.24 110.525 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.9 mt-10 -60.56 -50.91 71.63 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.612 1.195 . . . . 75.14 110.765 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 1.9 t -67.32 -34.53 77.56 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 123.626 0.579 . . . . 63.23 110.811 -173.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.43 -49.27 84.99 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 N-CA-C 109.365 -0.606 . . . . 55.3 109.365 169.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.04 70.0 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.174 0.989 . . . . 61.31 112.352 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 18.3 mmt180 -70.7 -56.61 6.01 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.506 -0.553 . . . . 52.15 109.506 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -69.54 -24.68 63.76 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.309 -0.86 . . . . 70.11 111.545 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -72.87 -41.86 64.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.673 0.789 . . . . 62.31 109.712 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.88 -52.8 62.64 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.705 0.628 . . . . 73.13 110.067 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -62.3 -38.16 88.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.605 0.566 . . . . 64.53 111.109 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -64.52 -60.02 3.63 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 119.157 -0.449 . . . . 72.43 110.168 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 56.8 m -52.61 -43.65 65.49 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.196 0.998 . . . . 51.35 112.386 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -75.22 -46.51 33.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.683 0.793 . . . . 73.03 111.86 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.592 HD12 HD21 ' A' ' 34' ' ' LEU . 9.1 mp -69.71 -23.03 63.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.295 0.238 . . . . 72.33 110.691 175.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.58 -43.96 21.97 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.911 0.884 . . . . 62.1 111.413 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.8 t -67.73 -34.03 76.03 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.448 -0.575 . . . . 64.2 109.448 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.637 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.5 ttt -61.73 -47.81 83.55 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 123.694 0.621 . . . . 73.04 109.633 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.401 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 15.8 ttm -57.13 -51.36 69.62 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.246 1.018 . . . . 72.4 112.605 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 5.4 p -65.26 -39.91 93.25 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.624 0.578 . . . . 64.13 111.401 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -71.44 -38.07 71.38 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 119.055 -0.498 . . . . 73.04 111.271 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.637 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.2 pp -76.43 -19.25 58.28 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.197 0.453 . . . . 63.34 110.613 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -75.78 -44.77 39.74 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.931 0.892 . . . . 54.33 109.314 174.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -58.21 -50.35 73.84 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 114.476 -1.238 . . . . 41.3 110.27 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 48.9 p -62.96 -59.72 4.44 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 115.111 -0.95 . . . . 71.21 110.149 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 93.2 p -51.99 -32.34 33.25 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.568 0.747 . . . . 70.31 112.399 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.445 ' O ' HG22 ' A' ' 458' ' ' THR . 28.6 t -59.91 -65.07 0.74 Allowed 'General case' 0 CA--C 1.549 0.917 0 O-C-N 123.652 0.595 . . . . 62.44 110.886 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -72.05 -20.22 61.71 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.379 0.511 . . . . 54.22 112.379 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.462 HD21 HG23 ' A' ' 44' ' ' ILE . 64.5 mt -75.51 -39.6 58.26 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.663 0.785 . . . . 63.43 110.881 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 455' ' ' SER . 5.8 t -70.7 -36.68 73.39 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.897 -0.408 . . . . 74.13 109.897 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.83 -43.25 96.74 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 123.492 0.495 . . . . 53.13 110.204 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.96 -32.84 74.35 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.375 -0.829 . . . . 72.2 110.882 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -67.42 -52.66 36.99 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.896 0.479 . . . . 64.33 110.323 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 53.5 m -59.46 -39.5 83.83 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 124.136 0.898 . . . . 71.03 111.196 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 463' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 467' ' ' SER . . . -76.13 -52.01 11.0 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.873 0.469 . . . . 52.24 111.725 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' MET . . . . . 0.563 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.1 ttm -61.13 -33.21 73.03 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.926 0.49 . . . . 64.45 111.095 -177.27 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -81.01 -63.74 1.34 Allowed 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.057 -0.519 . . . . 73.3 109.935 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 79.57 1.85 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.52 0.563 . . . . 72.12 112.52 175.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 467' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 463' ' ' ALA . 9.8 t . . . . . 0 C--O 1.251 1.145 0 O-C-N 121.338 -0.851 . . . . 65.52 109.318 167.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 111.55 0.204 . . . . 50.42 111.55 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -62.78 -38.97 92.75 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.808 0.843 . . . . 53.11 111.405 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 8' ' ' ILE . 20.9 m -75.76 -35.75 60.06 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.661 -0.7 . . . . 73.41 111.658 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.38 -40.09 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 117.86 0.3 . . . . 64.23 110.817 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.06 -31.22 71.58 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 120.92 0.391 . . . . 53.54 110.133 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.511 ' HE1' HG23 ' A' ' 52' ' ' THR . 37.2 t80 -57.73 -53.35 59.23 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.349 1.06 . . . . 70.42 110.875 170.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 4' ' ' THR . 77.9 mt -52.71 -57.47 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 C-N-CA 123.85 0.86 . . . . 52.55 110.504 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 80.0 m-20 -59.09 -47.53 84.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 113.435 -1.712 . . . . 73.12 111.972 -171.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' HE ' HG12 ' A' ' 47' ' ' VAL . 28.2 mtm180 -70.48 -44.23 68.12 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 118.509 -0.758 . . . . 74.2 112.071 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -60.72 -36.36 78.65 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 118.554 0.615 . . . . 72.45 110.924 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.5 tt0 -60.47 -47.6 85.42 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.133 -0.939 . . . . 75.32 109.571 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 70.8 mmt-85 -63.13 -37.15 86.06 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.498 0.499 . . . . 63.04 111.025 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.7 mt -61.77 -42.84 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.581 0.752 . . . . 72.13 110.145 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -42.67 74.76 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.957 0.503 . . . . 73.33 112.026 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 96.3 mt -65.77 -40.53 92.11 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.307 0.643 . . . . 62.12 111.134 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 81.3 mt -73.44 -46.44 48.45 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.76 0.824 . . . . 71.0 110.351 -176.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 51.9 p -57.38 -42.32 81.93 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.883 0.74 . . . . 71.34 110.81 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.19 -51.25 70.8 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.29 0.994 . . . . 52.42 111.146 173.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 49.3 m -57.63 -53.29 59.81 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.494 0.718 . . . . 71.13 111.349 -177.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.715 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.0 pp -74.86 -20.53 59.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.545 -0.752 . . . . 73.22 111.691 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.59 -44.03 83.3 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.569 -0.53 . . . . 73.45 109.569 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.9 -47.99 83.0 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.769 -1.105 . . . . 71.35 109.857 173.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD13 ' HB3' ' A' ' 32' ' ' LEU . 58.1 mt -65.17 -33.8 76.86 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.715 0.806 . . . . 73.22 111.801 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -68.32 -48.69 64.21 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.57 0.748 . . . . 73.41 111.22 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.48 -27.71 63.43 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.219 -0.446 . . . . 75.03 111.16 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -75.54 -18.88 59.65 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.466 0.707 . . . . 65.2 111.382 175.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.44 5.45 72.22 Favored Glycine 0 C--N 1.345 1.079 0 O-C-N 123.185 0.303 . . . . 71.21 113.281 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 83.74 2.64 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.049 0.54 . . . . 72.3 109.91 172.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -74.43 -34.54 63.25 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.176 -0.92 . . . . 63.52 111.117 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.18 -44.25 97.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.295 0.638 . . . . 72.02 110.351 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HB3' HD13 ' A' ' 24' ' ' LEU . 83.9 mt -74.07 -34.88 64.18 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.347 -0.842 . . . . 74.12 111.023 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.715 HD12 ' HB2' ' A' ' 21' ' ' LEU . 51.1 tp -56.5 -47.29 79.6 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.666 0.786 . . . . 64.03 110.497 173.299 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.588 HD21 HD12 ' A' ' 443' ' ' LEU . 84.0 mt -75.36 -24.59 57.33 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.087 0.955 . . . . 65.22 111.824 -177.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.61 -38.05 88.34 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.971 -0.381 . . . . 72.53 109.971 172.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 62.2 mm-40 -82.55 -29.16 30.53 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.165 -0.471 . . . . 70.43 110.94 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.09 -61.12 1.58 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 125.259 1.424 . . . . 71.02 111.84 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.5 m -59.05 -45.26 92.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 114.474 -1.239 . . . . 52.22 111.85 -173.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.7 m -68.15 -42.3 80.32 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.578 0.751 . . . . 62.51 111.739 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.5 t80 -67.34 -57.59 6.35 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 124.849 1.26 . . . . 70.23 111.256 -174.529 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.08 -39.28 89.32 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.089 -0.96 . . . . 71.25 110.466 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -55.55 -45.23 77.3 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.437 0.695 . . . . 74.03 111.317 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.401 ' HA ' HG22 ' A' ' 46' ' ' THR . 70.8 m -63.06 -40.72 98.53 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.739 0.649 . . . . 73.23 111.171 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.469 HG23 HD21 ' A' ' 457' ' ' LEU . 64.7 mt -63.02 -46.32 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-O 121.652 0.739 . . . . 75.21 110.323 175.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -63.02 -39.61 95.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 114.983 -1.008 . . . . 71.23 111.445 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.41 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 7.0 t -83.79 -24.67 30.93 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.062 0.393 . . . . 74.21 112.062 -172.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.512 HG12 ' HE ' ' A' ' 10' ' ' ARG . 27.2 m -74.86 -34.42 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 CA-C-N 118.551 0.614 . . . . 75.32 110.158 172.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 mmt -77.64 -25.89 50.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.996 0.519 . . . . 75.2 111.585 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 38.6 tt0 -72.94 -31.15 64.4 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.6 0.76 . . . . 72.15 109.695 170.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.529 ' HD2' ' HG3' ' A' ' 53' ' ' PRO . 1.5 tmtm? -75.48 -2.29 28.14 Favored 'General case' 0 CA--C 1.56 1.34 0 CA-C-N 115.25 -0.886 . . . . 71.43 109.735 173.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 70.42 9.39 6.94 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.706 1.602 . . . . 73.43 111.807 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.511 HG23 ' HE1' ' A' ' 7' ' ' PHE . 63.7 m 56.11 93.84 0.05 OUTLIER Pre-proline 0 CA--C 1.557 1.235 0 C-N-CA 124.346 1.058 . . . . 43.01 109.966 -168.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.529 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 67.7 Cg_exo -50.22 116.47 2.49 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 123.142 2.561 . . . . 73.1 112.251 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -63.63 -11.9 28.6 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.203 2.602 . . . . 73.42 114.448 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.49 58.3 5.03 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 122.775 0.226 . . . . 72.11 113.248 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 53' ' ' PRO . 31.9 mm -114.16 127.5 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.187 0.995 . . . . 72.31 108.837 -177.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 t -75.56 166.91 22.85 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 109.526 -0.546 . . . . 71.51 109.526 173.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -25.61 66.51 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.399 0.68 . . . . 74.52 111.399 -174.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -69.68 -51.84 31.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.677 0.791 . . . . 62.51 110.118 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.662 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 87.6 mt -66.17 -39.59 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.225 -0.898 . . . . 73.13 110.388 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -55.0 -43.37 73.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.712 1.205 . . . . 74.21 110.822 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.76 -45.35 75.17 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.695 0.622 . . . . 54.23 111.101 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.662 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 34.3 mtm -56.76 -57.17 13.6 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.198 0.599 . . . . 72.15 110.828 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.61 HG23 ' SD ' ' A' ' 464' ' ' MET . 34.9 m -68.91 -30.29 46.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-N 115.475 -0.784 . . . . 71.55 111.946 -175.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.8 83.85 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.734 -0.469 . . . . 53.24 109.734 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -63.13 -46.92 92.23 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 115.264 -0.88 . . . . 51.32 111.786 172.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.88 -37.56 87.39 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.587 0.755 . . . . 71.24 112.636 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 64' ' ' VAL . 67.4 mt -69.7 -43.01 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 108.955 -0.757 . . . . 73.41 108.955 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -40.04 84.02 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.689 0.796 . . . . 75.23 110.457 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 76.1 mt-30 -63.17 -51.56 65.89 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.514 0.725 . . . . 73.11 110.156 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.67 -30.19 69.67 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.499 -0.773 . . . . 62.05 110.958 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.8 -43.62 79.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.805 0.842 . . . . 62.34 110.801 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.92 -54.19 49.74 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.207 0.942 . . . . 71.4 110.184 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.41 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 36.3 m-20 -66.16 -40.88 90.87 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.254 -0.884 . . . . 71.31 111.226 -174.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.5 tt0 -74.9 -25.11 58.7 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.937 0.895 . . . . 72.01 111.429 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.62 -35.2 65.3 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.617 -0.512 . . . . 75.25 109.617 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.14 -32.56 69.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.749 -0.659 . . . . 73.23 110.48 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -63.76 -46.64 84.35 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.009 0.524 . . . . 71.43 109.865 171.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -53.18 -49.6 66.35 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.139 -0.937 . . . . 73.44 110.925 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.02 -47.7 30.02 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 123.519 0.512 . . . . 61.53 113.591 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.26 -57.57 11.85 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.114 0.966 . . . . 72.22 109.763 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.461 HD22 HD23 ' A' ' 443' ' ' LEU . 78.7 mt -65.52 -26.9 68.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.486 -0.779 . . . . 54.45 111.36 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -56.98 -49.76 74.75 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 118.476 0.58 . . . . 51.43 110.495 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -62.23 -49.52 75.41 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 124.426 1.079 . . . . 65.1 110.055 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 1.6 mmp_? -56.14 -52.59 63.78 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.791 0.837 . . . . 72.43 111.415 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 443' ' ' LEU . 98.1 mt -68.61 -32.35 72.18 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.951 0.9 . . . . 73.12 112.59 -177.735 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.97 -46.87 82.69 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 121.289 0.566 . . . . 63.01 109.996 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 41.6 mt-10 -61.56 -51.63 67.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.7 -1.137 . . . . 74.32 110.183 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 77.0 mt -57.97 -43.32 86.41 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.521 0.728 . . . . 75.43 111.157 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.6 t -62.28 -40.91 97.81 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.377 0.671 . . . . 61.32 110.997 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.6 t -65.43 -40.3 93.13 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.183 0.593 . . . . 72.54 110.808 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.2 mt -66.75 -42.07 86.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.837 0.855 . . . . 74.34 111.264 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.1 mt -65.64 -38.12 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.074 0.95 . . . . 70.32 109.707 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.56 -31.08 76.42 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 116.314 -0.403 . . . . 53.23 113.069 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.98 -40.19 24.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.217 0.607 . . . . 61.12 112.024 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.71 -32.02 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 112.813 0.672 . . . . 64.33 112.813 -168.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 108.642 -0.873 . . . . 73.25 108.642 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 109.872 -0.418 . . . . 74.24 109.872 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.09 -40.88 77.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.577 0.751 . . . . 73.52 111.376 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 50.5 mt-10 -68.03 -52.38 36.11 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 124.032 0.832 . . . . 63.25 111.046 -176.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.2 t -66.59 -34.63 78.31 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.15 0.281 . . . . 33.11 111.008 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.61 -41.31 91.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 C-N-CA 122.584 0.354 . . . . 63.1 110.208 173.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.23 98.78 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.172 0.589 . . . . 71.05 111.808 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 27.8 mmt180 -68.78 -50.62 48.83 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.935 0.494 . . . . 64.41 110.406 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -71.29 -29.1 64.64 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.356 -0.838 . . . . 64.55 111.852 -177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -68.35 -43.5 77.33 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 109.421 -0.585 . . . . 74.15 109.421 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.96 -57.72 11.46 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 123.853 0.72 . . . . 60.22 109.932 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.15 -44.71 83.68 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.226 0.611 . . . . 73.41 111.696 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -62.91 -62.58 1.62 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.742 0.417 . . . . 71.32 110.739 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 37.6 m -63.52 -34.01 76.84 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.856 0.862 . . . . 73.2 112.372 -171.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -69.6 -46.18 66.89 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.388 0.675 . . . . 35.51 111.442 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.588 HD12 HD21 ' A' ' 34' ' ' LEU . 9.8 mp -73.79 -20.28 60.52 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.399 0.28 . . . . 75.42 110.947 175.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -79.77 -43.58 22.25 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.314 1.046 . . . . 74.14 110.909 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.0 t -69.14 -35.55 76.48 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.782 -0.821 . . . . 64.4 108.782 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.619 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -60.22 -44.09 95.45 Favored 'General case' 0 C--N 1.364 1.213 0 O-C-N 123.547 0.529 . . . . 72.04 109.874 172.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.507 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 35.7 ttm -62.36 -53.86 48.85 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.11 0.881 . . . . 74.33 112.371 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 26.0 p -60.06 -38.44 82.83 Favored 'General case' 0 C--O 1.247 0.953 0 O-C-N 123.553 0.533 . . . . 71.34 110.972 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.98 -49.84 64.14 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 115.597 -0.729 . . . . 74.24 110.835 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.619 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.1 pp -70.41 -19.34 63.01 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 123.132 0.27 . . . . 74.03 111.537 -174.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -75.11 -50.47 16.27 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.751 0.821 . . . . 72.04 109.178 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -61.87 -41.81 98.31 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 115.141 -0.936 . . . . 73.22 110.581 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 56.0 p -65.49 -56.64 11.3 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.557 -0.735 . . . . 70.22 109.718 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 88.9 p -53.25 -32.62 49.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.206 0.603 . . . . 64.12 112.096 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.9 t -60.38 -64.22 1.03 Allowed 'General case' 0 CA--C 1.55 0.958 0 O-C-N 123.771 0.669 . . . . 51.01 110.872 174.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -71.48 -21.36 61.95 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.474 0.546 . . . . 74.14 112.474 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.469 HD21 HG23 ' A' ' 44' ' ' ILE . 65.8 mt -73.79 -39.17 64.33 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.37 0.668 . . . . 65.14 110.755 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 8.0 t -74.36 -33.02 62.98 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 110.381 -0.229 . . . . 74.14 110.381 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -67.95 -41.56 82.29 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.93 0.492 . . . . 75.25 110.587 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -70.52 -33.67 71.45 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.324 0.65 . . . . 73.21 109.539 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -67.03 -37.26 83.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.347 0.659 . . . . 74.11 110.438 174.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 76.8 m -61.74 -39.71 92.52 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.462 0.305 . . . . 64.32 110.529 175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.23 -51.87 22.22 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.344 -0.389 . . . . 72.21 111.423 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' MET . . . . . 0.61 ' SD ' HG23 ' A' ' 64' ' ' VAL . 58.6 ttm -62.05 -33.14 73.83 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.856 0.862 . . . . 74.45 111.254 -176.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -79.83 -65.12 1.04 Allowed 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 108.74 -0.837 . . . . 70.55 108.74 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.4 79.96 1.8 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.119 0.568 . . . . 72.03 111.987 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 64.1 m . . . . . 0 C--O 1.253 1.276 0 C-N-CA 123.466 0.706 . . . . 73.23 111.58 166.101 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 112.38 0.511 . . . . 75.34 112.38 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -68.35 -35.13 77.29 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.338 0.655 . . . . 43.24 111.494 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.454 ' O ' HG13 ' A' ' 8' ' ' ILE . 41.4 m -71.57 -37.95 70.99 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.211 0.604 . . . . 75.45 111.685 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 p -79.53 -37.26 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.604 0.362 . . . . 74.43 110.614 -175.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.67 -33.69 75.42 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.757 -0.46 . . . . 73.1 109.757 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HE1' HG23 ' A' ' 52' ' ' THR . 53.4 t80 -55.06 -56.59 18.06 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.973 0.909 . . . . 64.04 110.434 169.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.533 HG12 HG23 ' A' ' 60' ' ' ILE . 81.3 mt -55.2 -60.75 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.821 0.848 . . . . 75.14 111.447 -178.006 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.472 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 63.5 m-80 -59.88 -45.33 92.85 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.291 0.994 . . . . 72.41 111.525 -173.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.3 mtm180 -72.44 -32.88 66.66 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.361 -0.828 . . . . 61.31 112.387 -174.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.435 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 57.2 m95 -64.13 -38.03 89.58 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 118.744 0.702 . . . . 75.13 110.325 171.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -62.81 -40.01 96.08 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.656 0.597 . . . . 75.53 110.157 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 34.1 mmt180 -61.26 -52.37 65.04 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 109.07 -0.715 . . . . 72.4 109.07 175.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.7 mt -52.67 -42.14 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.738 1.215 . . . . 74.15 111.491 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.62 65.06 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.777 0.831 . . . . 51.21 112.178 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.5 mt -74.39 -31.41 62.34 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.119 0.568 . . . . 53.13 111.239 -176.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.9 mt -71.93 -50.86 25.46 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 118.724 -0.655 . . . . 71.22 109.333 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.535 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 67.8 p -55.36 -44.64 76.19 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 124.248 0.967 . . . . 73.55 111.072 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.12 -48.47 81.49 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 124.283 0.989 . . . . 65.31 111.111 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -65.22 -53.15 48.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.275 0.63 . . . . 64.44 111.767 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.59 ' HA ' HD12 ' A' ' 24' ' ' LEU . 4.3 pp -69.8 -20.99 63.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.944 0.497 . . . . 72.35 111.54 -177.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 65.9 tp -64.09 -52.18 60.5 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.033 -0.729 . . . . 71.24 109.033 171.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.78 -37.82 66.5 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.168 0.987 . . . . 75.41 110.735 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 21' ' ' LEU . 70.6 mt -68.42 -44.38 75.12 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.139 0.976 . . . . 72.35 111.19 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -65.98 -38.36 88.34 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.298 0.639 . . . . 64.33 111.36 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HA ' HD11 ' A' ' 81' ' ' LEU . 54.3 mt-30 -68.89 -33.1 73.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.587 0.755 . . . . 42.11 110.571 177.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.595 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -78.04 -14.21 59.59 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.885 0.874 . . . . 63.44 111.611 175.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.52 12.84 79.65 Favored Glycine 0 C--N 1.345 1.037 0 O-C-N 123.146 0.279 . . . . 54.44 113.25 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.595 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 25.6 mm-40 -77.5 86.79 3.85 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.972 0.909 . . . . 74.22 109.54 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -76.06 -35.22 59.53 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.234 -0.439 . . . . 75.52 110.929 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.57 -46.82 81.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.688 0.795 . . . . 74.44 109.888 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 24' ' ' LEU . 93.9 mt -68.97 -35.55 76.88 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 114.877 -1.056 . . . . 70.35 111.092 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 21' ' ' LEU . 61.8 tp -61.07 -49.54 76.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.751 0.82 . . . . 72.41 110.786 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.562 HD21 HD12 ' A' ' 443' ' ' LEU . 96.0 mt -68.87 -30.31 68.8 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.894 0.877 . . . . 73.54 111.402 -176.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -58.49 -44.73 89.5 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.199 0.523 . . . . 74.42 110.036 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -88.56 -11.58 45.21 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.243 -0.89 . . . . 73.23 112.387 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -54.42 -54.53 39.49 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.347 0.659 . . . . 74.12 111.165 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -62.73 -43.6 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.139 -0.937 . . . . 55.04 111.909 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.0 p -65.74 -45.07 84.0 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.187 0.595 . . . . 54.41 110.297 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.8 t80 -63.22 -64.68 0.84 Allowed 'General case' 0 C--O 1.242 0.709 0 C-N-CA 124.71 1.204 . . . . 64.23 112.145 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.38 -43.53 88.54 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.192 0.932 . . . . 62.52 111.058 -175.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -62.61 -41.22 98.85 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-O 119.344 -0.36 . . . . 41.23 110.923 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.9 m -59.07 -40.12 84.22 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.16 0.287 . . . . 71.1 111.482 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.588 HG23 HD21 ' A' ' 457' ' ' LEU . 68.0 mt -62.7 -50.0 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 121.75 0.786 . . . . 73.4 110.412 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.48 -35.77 81.55 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.879 -1.055 . . . . 74.32 111.577 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -83.82 -28.23 28.21 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 112.088 0.403 . . . . 75.41 112.088 -173.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.1 m -70.54 -29.15 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 118.603 0.638 . . . . 73.12 109.603 169.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.3 mmt -83.22 -15.03 52.02 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.118 0.567 . . . . 73.42 112.523 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.78 -31.26 71.03 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.316 -0.624 . . . . 74.42 109.316 165.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -91.99 6.56 45.86 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.973 -1.012 . . . . 75.12 110.747 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 46.32 26.98 0.52 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 126.797 2.039 . . . . 73.52 113.862 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.492 HG23 ' HE1' ' A' ' 7' ' ' PHE . 53.0 m 56.51 95.74 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 123.999 0.92 . . . . 74.3 110.366 -170.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.471 ' O ' HG12 ' A' ' 56' ' ' ILE . 12.1 Cg_endo -54.3 128.86 31.76 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.844 2.363 . . . . 64.43 111.049 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.37 -12.37 25.1 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.343 2.028 . . . . 65.21 113.573 -173.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.71 68.03 3.45 Favored Glycine 0 C--N 1.355 1.622 0 N-CA-C 111.493 -0.643 . . . . 74.14 111.493 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 53' ' ' PRO . 47.5 mm -126.79 119.87 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.59 1.156 . . . . 64.31 108.663 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -74.53 165.1 25.76 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.77 -0.455 . . . . 70.11 109.77 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.31 -20.48 65.62 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.884 0.474 . . . . 54.03 111.187 -173.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.3 t -70.68 -51.16 29.47 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.28 0.632 . . . . 55.12 110.622 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.533 HG23 HG12 ' A' ' 8' ' ' ILE . 83.3 mt -63.49 -42.25 95.56 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 123.347 0.659 . . . . 70.33 109.73 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -56.52 -41.45 76.77 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.848 1.259 . . . . 74.01 111.38 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -63.28 -49.02 75.7 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.375 0.67 . . . . 72.11 110.788 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.439 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 51.5 mtm -57.45 -55.79 30.29 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.88 0.737 . . . . 72.34 110.719 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.61 HG23 ' SD ' ' A' ' 464' ' ' MET . 31.2 m -70.89 -31.29 45.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.533 -0.758 . . . . 74.41 112.228 -172.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.55 -38.75 91.26 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.953 -0.388 . . . . 54.25 109.953 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.81 -41.13 99.91 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-N 115.862 -0.608 . . . . 65.11 111.774 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.5 m-85 -66.34 -37.3 85.02 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.343 0.657 . . . . 74.14 111.548 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 64' ' ' VAL . 59.2 mt -71.1 -38.55 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 109.332 -0.618 . . . . 64.33 109.332 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -58.08 -46.21 85.85 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.572 0.749 . . . . 73.45 109.413 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -58.75 -54.98 41.01 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.821 0.701 . . . . 71.21 110.302 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 68' ' ' ILE . 4.6 t -65.22 -31.29 72.39 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.272 -0.876 . . . . 74.35 111.686 -170.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.31 -48.15 68.44 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.073 0.549 . . . . 73.25 110.409 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.07 -52.99 63.36 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.649 0.78 . . . . 73.14 110.342 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -64.53 -44.32 91.21 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.97 -1.013 . . . . 35.04 111.166 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.562 ' HA ' HD12 ' A' ' 78' ' ' LEU . 43.5 tt0 -70.17 -26.29 63.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.861 0.865 . . . . 62.32 112.11 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -68.82 -42.4 77.31 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.136 0.493 . . . . 72.23 109.783 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.88 -33.19 74.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.296 -0.865 . . . . 75.3 110.785 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 75' ' ' GLU . 95.7 mt -62.32 -49.35 75.96 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.901 0.48 . . . . 74.32 109.748 172.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.02 -50.67 66.13 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.866 0.866 . . . . 74.13 111.092 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.29 -47.46 63.73 Favored Glycine 0 C--N 1.354 1.542 0 O-C-N 123.538 0.524 . . . . 55.44 113.754 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 26' ' ' GLN . 6.9 tt -64.86 -53.43 46.76 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.849 0.859 . . . . 63.04 110.139 -174.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.31 -30.21 71.04 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 123.432 0.693 . . . . 71.22 110.805 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -61.67 -41.81 98.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.836 0.454 . . . . 71.31 110.519 175.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -62.11 -45.53 93.05 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.569 -0.741 . . . . 75.13 110.757 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 8.2 mmp_? -61.01 -46.79 89.33 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.316 0.646 . . . . 74.53 111.126 -178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.77 -37.4 87.48 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.933 0.893 . . . . 72.44 111.262 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.01 -42.17 97.23 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 123.92 0.762 . . . . 75.43 110.668 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 72.2 mt-10 -70.11 -45.76 66.25 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.069 -0.969 . . . . 71.5 110.696 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.96 -35.83 79.62 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.791 0.436 . . . . 64.34 110.794 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 t -64.93 -43.65 92.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.61 0.764 . . . . 73.04 110.308 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 p -69.14 -33.44 73.45 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 123.244 0.34 . . . . 74.15 111.038 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 96' ' ' VAL . 94.9 mt -63.57 -62.21 1.81 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.833 0.453 . . . . 74.44 109.985 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 69.7 mt -54.97 -46.46 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.585 1.154 . . . . 75.05 111.146 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.83 -37.86 80.34 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 123.997 0.811 . . . . 75.22 113.972 -174.472 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -85.88 -41.62 14.81 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 122.941 0.496 . . . . 65.01 111.674 -176.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 433' ' ' VAL . 30.4 m -81.67 -35.85 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 N-CA-C 112.181 0.437 . . . . 71.41 112.181 -173.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 107.994 -1.113 . . . . 74.45 107.994 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 433' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 109.761 -0.459 . . . . 74.42 109.761 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.32 -46.88 84.61 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.425 0.69 . . . . 74.42 111.283 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.5 mt-10 -70.79 -35.51 72.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.332 -0.849 . . . . 73.25 111.749 -173.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.0 t -70.3 -38.66 75.04 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 110.168 -0.308 . . . . 65.31 110.168 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 433' ' ' VAL . . . . . 0.491 HG22 HG23 ' A' ' 96' ' ' VAL . 76.7 t -59.34 -41.12 83.24 Favored 'Isoleucine or valine' 0 C--N 1.364 1.222 0 O-C-N 123.458 0.474 . . . . 54.45 110.13 171.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.56 79.21 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.786 0.834 . . . . 40.15 111.096 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 439' ' ' GLN . 16.3 mmt180 -69.91 -47.03 64.08 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.107 -0.331 . . . . 72.44 110.107 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -61.65 -42.94 99.59 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 123.638 0.586 . . . . 71.41 111.438 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -73.34 -30.63 63.46 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.966 0.792 . . . . 73.34 110.542 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.0 -53.24 58.36 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.389 -0.597 . . . . 64.3 109.389 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 23.9 mm-40 -61.6 -38.01 86.03 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.618 -0.719 . . . . 51.23 110.246 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -65.36 -63.37 1.12 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.956 -0.566 . . . . 60.14 110.081 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 76.9 m -61.05 -35.95 78.3 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.38 1.072 . . . . 71.51 112.288 -172.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -70.01 -47.95 60.04 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.188 0.595 . . . . 74.44 111.523 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.562 HD12 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -72.06 -19.85 61.76 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 122.5 0.32 . . . . 74.53 111.36 176.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.58 -46.77 24.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.651 1.181 . . . . 63.44 110.39 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.1 t -70.8 -33.88 71.18 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 109.765 -0.457 . . . . 73.21 109.765 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.49 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.2 ttt -59.49 -44.27 93.11 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 123.344 0.657 . . . . 63.32 110.167 173.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.56 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 26.8 ttm -65.5 -48.16 73.52 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.971 0.909 . . . . 73.24 112.511 -176.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 13.7 p -61.94 -39.26 91.5 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.6 0.562 . . . . 73.42 110.685 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -66.95 -45.18 78.55 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 115.771 -0.649 . . . . 73.4 111.143 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.56 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 3.1 pp -75.02 -17.8 60.45 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 118.052 0.387 . . . . 72.41 111.71 -175.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.66 -45.24 38.18 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.005 -0.739 . . . . 64.4 109.005 173.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -59.02 -47.13 86.31 Favored 'General case' 0 C--O 1.254 1.338 0 C-N-CA 124.131 0.972 . . . . 75.24 110.55 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 456' ' ' TYR . 68.0 p -62.15 -57.17 12.53 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.329 -0.851 . . . . 64.44 110.009 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 63.0 p -50.27 -36.81 33.0 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.002 0.921 . . . . 53.01 112.337 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 42.5 m -56.68 -68.32 0.23 Allowed 'General case' 0 CA--C 1.551 1.012 0 O-C-N 123.988 0.805 . . . . 62.15 111.117 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 456' ' ' TYR . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 4.9 p90 -71.82 -20.39 61.84 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 113.202 0.815 . . . . 75.4 113.202 -174.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 44' ' ' ILE . 58.8 mt -71.25 -45.76 62.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.616 0.766 . . . . 71.53 110.486 178.137 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.3 t -70.11 -31.77 69.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 123.487 0.492 . . . . 72.21 110.643 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.1 -50.79 66.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.236 0.614 . . . . 54.03 110.769 173.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -61.4 -33.98 74.59 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 114.771 -1.104 . . . . 72.23 110.426 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -69.74 -41.41 75.3 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 123.852 0.861 . . . . 71.54 111.056 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 23.8 m -60.26 -43.92 95.75 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.493 0.496 . . . . 35.31 110.538 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -70.86 -50.02 39.82 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.909 -0.587 . . . . 62.23 111.435 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' MET . . . . . 0.61 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.3 ttm -63.16 -32.32 73.68 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.498 0.719 . . . . 60.55 111.65 -175.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -81.21 -60.03 2.43 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.611 -0.722 . . . . 63.33 109.102 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.2 77.0 1.51 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.506 0.67 . . . . 64.14 111.786 177.736 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 CA--C 1.561 1.385 0 C-N-CA 123.201 0.601 . . . . 70.11 111.388 165.446 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 111.91 0.337 . . . . 75.21 111.91 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -58.65 -45.55 89.08 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.408 1.083 . . . . 72.11 111.118 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.508 ' O ' HG13 ' A' ' 8' ' ' ILE . 13.8 m -72.9 -37.44 67.25 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.226 -0.897 . . . . 45.03 111.761 -174.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.2 p -75.14 -41.19 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 117.871 0.305 . . . . 63.33 111.147 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.91 -33.75 76.26 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 110.111 -0.329 . . . . 74.01 110.111 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 4' ' ' THR . 40.3 t80 -52.71 -53.84 42.01 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.337 1.055 . . . . 72.02 110.312 168.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.547 HG12 HG23 ' A' ' 60' ' ' ILE . 75.9 mt -55.81 -55.53 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.911 0.884 . . . . 71.0 111.325 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 55.3 m-80 -56.92 -49.4 75.73 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.039 0.837 . . . . 73.24 111.653 -176.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.593 HH22 ' HG2' ' A' ' 50' ' ' LYS . 35.9 mtm180 -65.96 -42.8 89.46 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.752 0.657 . . . . 52.13 111.7 -174.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -63.44 -37.12 86.06 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.931 0.332 . . . . 64.15 111.148 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.14 -43.39 95.75 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.476 0.485 . . . . 65.02 109.968 173.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 34.3 mmt-85 -58.84 -52.92 63.66 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 109.541 -0.54 . . . . 65.14 109.541 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.0 mt -55.05 -39.33 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.315 1.046 . . . . 64.25 111.308 -176.09 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.55 63.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.414 0.685 . . . . 50.02 112.377 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.47 -38.73 84.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.282 0.633 . . . . 71.21 110.484 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.8 mt -69.72 -49.5 52.64 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 115.232 -0.895 . . . . 75.44 109.605 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.425 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 77.2 p -55.02 -44.04 74.21 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.249 0.62 . . . . 71.04 111.292 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.81 -52.54 62.77 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 123.974 0.796 . . . . 61.33 111.205 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -62.69 -46.05 89.96 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.405 0.441 . . . . 61.35 112.116 -173.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.564 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.4 pp -73.85 -26.15 60.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.623 0.369 . . . . 73.53 111.874 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.41 -44.38 96.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.025 0.441 . . . . 75.3 110.111 173.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.65 -42.44 98.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.937 -1.029 . . . . 75.25 110.221 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 21' ' ' LEU . 72.6 mt -64.27 -35.53 81.15 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.416 0.687 . . . . 71.21 111.122 177.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.513 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -69.76 -49.83 49.26 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.69 0.796 . . . . 73.42 111.531 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -70.97 -26.45 63.17 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.128 0.571 . . . . 71.41 111.115 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -73.84 -26.61 60.68 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.901 0.48 . . . . 74.22 111.104 173.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.47 3.26 55.4 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 123.356 0.41 . . . . 63.32 113.215 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.01 81.43 1.71 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.708 0.803 . . . . 72.52 109.661 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -71.93 -34.81 69.34 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.442 -0.799 . . . . 72.51 110.698 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.68 -43.01 99.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.938 0.895 . . . . 72.22 110.38 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.6 mt -78.66 -31.2 46.65 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.845 -1.07 . . . . 74.42 110.73 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 21' ' ' LEU . 47.6 tp -60.5 -46.37 90.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.421 0.689 . . . . 71.31 110.335 172.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 443' ' ' LEU . 85.8 mt -74.35 -26.71 60.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.229 1.012 . . . . 64.15 110.787 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -61.02 -40.48 93.76 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.0 -0.545 . . . . 62.41 109.796 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -85.62 -22.94 27.74 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.511 -0.768 . . . . 73.13 111.83 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -51.88 -48.93 63.85 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.315 1.046 . . . . 71.45 111.213 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -56.87 -52.56 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 124.176 0.923 . . . . 75.04 111.386 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.9 p -69.69 -39.08 77.16 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.656 0.782 . . . . 61.03 111.326 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.9 t80 -65.7 -62.96 1.22 Allowed 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.442 1.097 . . . . 70.14 111.775 -174.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.0 -34.99 79.25 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.687 -0.688 . . . . 51.54 110.569 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.53 -43.78 89.35 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.688 0.395 . . . . 64.34 111.169 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.525 ' HA ' HG22 ' A' ' 46' ' ' THR . 73.1 m -66.29 -36.53 83.21 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.481 0.488 . . . . 73.13 111.684 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.594 HG23 HD21 ' A' ' 457' ' ' LEU . 62.9 mt -66.27 -44.83 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 121.944 0.878 . . . . 64.21 110.231 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.29 -36.04 82.82 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.884 -1.053 . . . . 73.21 111.196 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.5 t -81.83 -31.2 31.8 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 119.067 -0.492 . . . . 70.43 112.119 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.0 m -67.01 -39.16 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 118.895 0.771 . . . . 73.41 110.288 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 25.1 mmt -79.78 -25.45 40.96 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.289 -0.414 . . . . 71.22 111.985 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.95 -30.0 63.52 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.277 -0.638 . . . . 55.25 109.277 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HG2' HH22 ' A' ' 10' ' ' ARG . 50.0 tptt -73.88 -0.23 15.37 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.978 0.911 . . . . 53.15 110.76 171.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 72.53 10.51 5.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.832 1.653 . . . . 73.03 111.245 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 58.2 m 51.99 94.12 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.886 1.274 . . . . 70.41 110.521 -170.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 52' ' ' THR . 10.1 Cg_endo -50.28 120.32 6.1 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 123.232 2.622 . . . . 74.43 111.926 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -80.92 -4.21 12.62 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 123.124 2.549 . . . . 64.24 114.772 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.99 62.84 4.58 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 112.184 -0.366 . . . . 64.44 112.184 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.4 mm -120.47 123.25 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.546 1.139 . . . . 74.05 109.737 -169.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -76.12 167.52 21.71 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.708 0.403 . . . . 64.22 110.069 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -66.37 -28.15 68.43 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.111 0.564 . . . . 71.21 111.853 -171.65 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.7 m -69.94 -48.22 59.27 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.235 0.614 . . . . 64.3 110.685 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.547 HG23 HG12 ' A' ' 8' ' ' ILE . 99.1 mt -68.9 -40.48 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 114.958 -1.019 . . . . 63.44 110.523 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.81 -36.1 80.15 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.537 1.135 . . . . 73.52 110.846 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.2 -39.52 68.54 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.604 -0.725 . . . . 52.22 110.64 177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.434 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 53.3 mtm -57.72 -54.48 46.37 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.156 0.503 . . . . 75.14 110.241 176.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.637 HG23 ' SD ' ' A' ' 464' ' ' MET . 33.0 m -74.8 -25.41 18.8 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 CA-C-N 115.143 -0.935 . . . . 62.51 112.104 -173.375 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.85 85.41 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.56 -0.533 . . . . 61.0 109.56 170.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.7 -42.49 97.2 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 115.711 -0.677 . . . . 72.11 112.312 171.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.79 -37.59 82.24 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.163 0.585 . . . . 64.11 111.921 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 64' ' ' VAL . 73.5 mt -72.08 -38.89 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.898 -0.779 . . . . 71.32 108.898 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.15 -38.45 79.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.981 0.512 . . . . 72.12 110.755 174.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -63.5 -53.25 55.0 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 123.407 0.442 . . . . 71.11 110.641 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 68' ' ' ILE . 14.5 t -65.91 -30.91 71.58 Favored 'General case' 0 C--O 1.211 -0.966 0 O-C-N 123.589 0.555 . . . . 75.2 111.084 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.68 -45.93 73.78 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.806 0.442 . . . . 73.14 111.272 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.6 -52.24 66.0 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.823 0.702 . . . . 74.31 110.151 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -67.33 -41.67 84.87 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.304 -0.862 . . . . 62.31 111.287 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.472 ' HA ' HD12 ' A' ' 78' ' ' LEU . 34.2 tt0 -77.88 -20.91 52.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.688 0.795 . . . . 55.25 111.478 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -68.9 -40.38 79.16 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.382 0.673 . . . . 63.45 109.794 168.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.8 -32.95 65.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.381 -0.827 . . . . 71.14 110.715 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 75' ' ' GLU . 90.6 mt -65.98 -38.43 88.53 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.998 0.519 . . . . 75.21 109.889 171.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -59.32 -58.22 9.57 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 116.091 -0.504 . . . . 73.02 110.069 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -61.49 -48.62 83.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 123.977 0.798 . . . . 73.31 113.201 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.68 -56.81 11.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.672 0.789 . . . . 74.14 110.534 -173.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.52 -29.43 69.51 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.418 0.449 . . . . 73.33 111.445 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.24 -41.17 94.61 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 122.776 0.431 . . . . 72.4 110.941 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 28.5 mt-30 -64.28 -44.49 91.52 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.684 -0.689 . . . . 75.21 110.028 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 2.4 mmp_? -58.84 -47.18 85.76 Favored 'General case' 0 C--O 1.208 -1.107 0 O-C-N 123.971 0.794 . . . . 74.44 110.428 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.85 -35.93 82.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.51 0.724 . . . . 71.54 111.666 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.07 -46.28 91.31 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-O 121.385 0.612 . . . . 72.52 110.397 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.6 mt-10 -65.83 -54.06 31.75 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.723 -1.126 . . . . 74.44 110.527 178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 90.3 mt -56.01 -43.05 77.36 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.3 1.04 . . . . 62.44 110.794 -177.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -59.9 -47.07 87.26 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.46 0.704 . . . . 74.04 110.86 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.507 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 21.3 t -63.5 -42.58 98.5 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.845 0.715 . . . . 72.44 110.667 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 95.9 mt -61.26 -47.96 83.63 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.032 0.933 . . . . 62.43 111.467 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.6 -41.01 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.133 0.973 . . . . 74.12 109.805 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.18 -34.31 88.69 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-N 115.757 -0.656 . . . . 73.21 113.29 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 91' ' ' SER . 12.6 mm100 -78.88 -35.35 43.82 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.113 0.565 . . . . 72.35 111.728 -176.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.8 -40.64 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 N-CA-C 112.306 0.484 . . . . 72.11 112.306 -173.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 107.048 -1.464 . . . . 55.41 107.048 173.526 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.568 -0.16 . . . . 53.33 110.568 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.17 -48.82 80.18 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.798 0.839 . . . . 64.4 111.162 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.2 mt-10 -63.16 -52.6 61.79 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 124.07 0.856 . . . . 74.52 111.247 -176.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.1 t -65.2 -42.23 93.74 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 123.303 0.377 . . . . 74.54 111.338 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 49.2 t -60.19 -43.35 93.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 109.643 -0.503 . . . . 50.01 109.643 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -60.81 -33.57 73.2 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.669 0.605 . . . . 35.41 112.133 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 21.3 mmt180 -73.68 -54.43 8.12 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.615 0.366 . . . . 73.31 110.499 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -66.02 -32.36 73.78 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.914 -0.584 . . . . 75.02 111.667 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -78.57 -37.88 41.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.866 0.866 . . . . 61.21 110.844 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.89 52.58 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.56 -0.533 . . . . 74.25 109.56 173.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -62.83 -33.63 75.63 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.927 -0.578 . . . . 72.12 111.246 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.09 -61.13 2.69 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 110.062 -0.347 . . . . 72.45 110.062 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 46.2 m -61.19 -35.73 77.97 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.929 0.892 . . . . 72.52 112.4 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -71.09 -47.84 55.9 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.585 0.754 . . . . 75.34 111.474 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.621 HD12 HD21 ' A' ' 34' ' ' LEU . 10.9 mp -70.85 -19.29 62.66 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.648 0.379 . . . . 64.5 111.042 174.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.22 -44.71 17.39 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.68 0.792 . . . . 72.22 111.253 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.9 t -66.72 -35.35 79.9 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.898 -0.779 . . . . 44.11 108.898 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.597 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.2 ttt -62.54 -42.44 99.53 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 123.5 0.5 . . . . 72.51 110.285 172.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -53.52 57.19 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.195 0.998 . . . . 54.11 112.068 -177.167 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 23.7 p -65.29 -40.95 94.52 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 115.372 -0.831 . . . . 53.12 110.986 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -66.48 -44.54 82.4 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.607 -0.724 . . . . 75.42 111.147 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.597 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -72.4 -25.82 61.63 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.692 0.282 . . . . 74.52 110.604 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -67.95 -50.53 55.37 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 123.601 0.761 . . . . 64.44 109.72 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.49 -43.62 96.72 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.207 -0.906 . . . . 63.32 110.954 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.532 ' HB ' HG21 ' A' ' 44' ' ' ILE . 37.3 p -61.12 -62.86 1.54 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 116.022 -0.535 . . . . 65.25 110.0 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 81.1 p -52.87 -32.25 43.86 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.665 0.786 . . . . 64.24 112.225 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.3 t -60.1 -59.7 5.0 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 123.592 0.557 . . . . 63.44 111.234 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 456' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 2.6 p90 -73.51 -20.91 60.54 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 112.312 0.486 . . . . 74.5 112.312 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.594 HD21 HG23 ' A' ' 44' ' ' ILE . 73.9 mt -68.59 -41.25 79.89 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.093 0.557 . . . . 54.21 110.578 175.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.5 t -77.3 -28.0 53.14 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.014 0.196 . . . . 73.13 111.313 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.11 -53.22 60.36 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.647 0.737 . . . . 73.51 109.659 168.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.86 -34.56 77.62 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 114.122 -1.399 . . . . 70.21 111.074 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.41 -50.85 57.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.303 0.641 . . . . 74.21 111.062 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 25.6 m -62.7 -33.97 76.2 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 123.736 0.647 . . . . 73.2 110.664 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -70.59 -47.25 61.1 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.26 0.624 . . . . 64.04 111.518 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 464' ' ' MET . . . . . 0.637 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.2 ttm -70.63 -27.73 64.28 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.035 0.934 . . . . 43.12 111.179 -174.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -85.07 -60.81 1.93 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 108.512 -0.921 . . . . 74.24 108.512 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.21 78.53 1.65 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.828 0.451 . . . . 71.34 111.783 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.253 1.27 0 C-N-CA 123.58 0.752 . . . . 74.32 111.401 163.467 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 112.402 0.519 . . . . 72.24 112.402 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -65.43 -38.47 89.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.558 0.743 . . . . 74.11 111.283 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.479 ' O ' HG13 ' A' ' 8' ' ' ILE . 46.3 m -73.68 -37.26 65.28 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.219 -0.9 . . . . 74.3 111.49 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.8 -41.32 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 117.928 0.331 . . . . 60.31 111.007 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.78 -34.62 78.77 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 109.987 -0.375 . . . . 72.15 109.987 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' A' ' 4' ' ' THR . 69.9 t80 -57.2 -55.16 38.31 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.912 0.885 . . . . 72.11 110.955 172.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.509 HG12 HG23 ' A' ' 60' ' ' ILE . 82.0 mt -54.94 -60.33 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 124.236 1.014 . . . . 54.31 111.185 -177.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 38.7 m-80 -60.2 -49.24 78.41 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.774 -1.103 . . . . 74.1 111.846 -174.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 14' ' ' ILE . 84.1 mtm180 -68.0 -35.75 78.85 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 118.451 -0.785 . . . . 74.15 112.353 -173.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -63.13 -40.42 97.55 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.582 0.628 . . . . 75.4 110.898 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.83 -41.96 92.52 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.589 0.556 . . . . 74.24 110.501 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 23.3 mmt180 -61.98 -48.55 79.85 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.703 0.627 . . . . 75.54 110.334 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.4 mt -55.0 -42.19 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 124.468 1.107 . . . . 72.34 110.759 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -42.16 76.32 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.983 0.913 . . . . 71.42 112.131 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.52 -39.89 85.08 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.235 0.614 . . . . 64.13 110.373 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.3 mt -66.04 -50.5 63.97 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.866 0.866 . . . . 70.33 109.774 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.515 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 52.7 p -56.41 -44.82 80.7 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 124.579 1.174 . . . . 55.53 111.186 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -62.55 -51.06 68.86 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.98 0.8 . . . . 72.32 111.243 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.1 m -59.31 -51.61 69.21 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.79 0.682 . . . . 73.45 111.595 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.548 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.5 pp -74.69 -19.59 60.2 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.067 0.547 . . . . 73.35 111.876 -177.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -63.52 -47.18 82.72 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.295 -0.631 . . . . 60.4 109.295 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.58 -34.58 78.57 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.07 -0.968 . . . . 74.11 110.534 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.97 -44.43 69.49 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.731 0.812 . . . . 73.21 111.418 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.548 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -61.31 -41.92 97.8 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.681 0.792 . . . . 74.35 110.237 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.87 -33.77 74.33 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.752 -1.113 . . . . 74.5 111.076 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.628 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -79.47 -8.51 59.18 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.714 0.806 . . . . 70.33 111.333 178.452 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.83 9.54 86.19 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 123.181 0.3 . . . . 63.24 112.904 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.628 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 10.9 mm-40 -77.0 80.71 3.53 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.296 -1.002 . . . . 45.32 108.296 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -72.22 -40.3 67.9 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.213 0.605 . . . . 64.53 111.094 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.46 -41.16 98.62 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.649 0.593 . . . . 64.5 110.391 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.59 -33.34 62.62 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.39 -0.823 . . . . 64.34 111.064 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 21' ' ' LEU . 49.9 tp -60.59 -50.59 72.91 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.85 0.86 . . . . 74.34 110.126 174.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.462 HD21 HD12 ' A' ' 443' ' ' LEU . 78.7 mt -72.38 -26.34 61.85 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.429 1.092 . . . . 73.21 111.369 -176.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -61.01 -40.97 95.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.085 0.954 . . . . 51.11 109.986 172.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -88.94 -23.53 22.66 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.657 -0.702 . . . . 74.44 111.69 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -49.48 -57.89 6.19 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.109 1.364 . . . . 73.25 111.487 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.0 m -57.45 -45.18 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 124.708 1.255 . . . . 73.32 110.751 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.5 m -60.64 -45.83 92.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.982 0.913 . . . . 50.51 110.34 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.6 t80 -69.93 -64.43 0.89 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.13 1.372 . . . . 74.31 111.962 -171.261 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.85 -39.44 81.29 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.123 0.89 . . . . 74.4 111.02 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.62 -40.07 92.17 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.593 0.357 . . . . 61.31 111.316 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.2 m -60.63 -39.8 89.61 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.524 0.515 . . . . 74.11 111.394 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.668 HG23 HD21 ' A' ' 457' ' ' LEU . 69.6 mt -63.4 -48.91 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 121.163 0.506 . . . . 73.1 110.406 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.13 -42.3 90.28 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.079 -0.964 . . . . 61.35 111.515 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 t -77.45 -35.58 53.77 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 112.21 0.448 . . . . 73.45 112.21 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.96 -30.03 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 CA-C-N 118.446 0.566 . . . . 74.23 110.545 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.547 ' HE2' HD23 ' A' ' 457' ' ' LEU . 23.0 mmt -85.61 -19.75 30.54 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.165 0.586 . . . . 64.23 112.117 176.169 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -72.98 -28.01 62.14 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.086 -0.709 . . . . 74.25 109.086 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -68.71 -15.47 63.53 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 114.739 -1.119 . . . . 74.23 110.844 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 70.78 9.35 6.81 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.285 1.434 . . . . 74.12 111.143 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.413 HG23 ' CE1' ' A' ' 7' ' ' PHE . 83.3 m 65.07 109.32 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.41 0 C-N-CA 124.601 1.16 . . . . 73.24 110.648 -172.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.532 ' HG2' HD11 ' A' ' 56' ' ' ILE . 19.7 Cg_endo -56.22 132.63 53.07 Favored 'Trans proline' 0 C--N 1.381 2.28 0 C-N-CA 122.877 2.385 . . . . 72.01 112.458 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 41.9 Cg_exo -60.77 -27.32 84.62 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 123.117 2.545 . . . . 71.12 114.202 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -85.71 60.54 4.66 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.462 -0.336 . . . . 24.11 113.439 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.532 HD11 ' HG2' ' A' ' 53' ' ' PRO . 39.8 mm -114.38 113.59 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.825 0.85 . . . . 63.01 108.854 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.3 t -74.27 169.85 16.78 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.971 0.508 . . . . 73.54 110.094 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -66.27 -25.82 67.05 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.141 0.576 . . . . 70.42 111.652 -171.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -75.65 -44.69 41.21 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.365 0.666 . . . . 74.14 110.887 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 8' ' ' ILE . 95.6 mt -67.31 -43.9 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.584 0.754 . . . . 75.11 109.641 176.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -54.64 -40.29 68.85 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.163 1.385 . . . . 54.05 111.237 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.38 -48.12 68.35 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.8 0.84 . . . . 73.44 110.987 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.422 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 59.1 mtm -58.36 -53.59 56.54 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.587 0.554 . . . . 73.51 110.32 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 68' ' ' ILE . 20.4 m -71.3 -25.89 25.96 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 CA-C-N 115.029 -0.987 . . . . 63.34 111.742 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.27 87.05 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.65 0.659 . . . . 61.33 109.778 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.65 -44.36 97.64 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 123.911 0.757 . . . . 72.25 111.737 170.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -67.52 -32.28 72.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.722 0.809 . . . . 72.32 112.257 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.563 ' HA ' HG22 ' A' ' 71' ' ' THR . 86.8 mt -75.43 -37.34 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 108.909 -0.775 . . . . 74.13 108.909 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -64.24 -33.01 74.82 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.375 0.27 . . . . 73.25 110.443 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 78.3 mt-30 -69.08 -51.91 33.87 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.092 0.557 . . . . 62.21 110.768 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 68' ' ' ILE . 14.0 t -64.01 -35.35 80.43 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.441 0.463 . . . . 55.13 110.775 -175.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.72 -44.24 74.28 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.443 0.697 . . . . 41.01 111.421 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.76 -54.77 42.42 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.933 0.77 . . . . 64.1 110.56 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.408 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 50.5 m-20 -68.14 -38.59 82.34 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.239 -0.892 . . . . 70.15 110.847 -173.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.1 tt0 -75.66 -25.15 56.54 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.702 0.801 . . . . 61.52 111.869 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -69.79 -40.62 75.89 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.348 -0.612 . . . . 54.44 109.348 170.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.42 -33.33 72.82 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.665 -0.698 . . . . 72.14 110.472 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 75' ' ' GLU . 92.3 mt -67.0 -37.58 84.46 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.563 0.745 . . . . 54.1 110.16 172.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -59.25 -54.02 51.6 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 123.704 0.628 . . . . 74.43 109.968 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.31 -47.77 84.89 Favored Glycine 0 C--N 1.348 1.22 0 O-C-N 123.829 0.706 . . . . 62.2 112.784 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.2 -59.9 4.6 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.482 1.113 . . . . 62.35 110.469 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.57 -28.12 67.51 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 123.482 0.713 . . . . 73.52 111.29 -175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -61.72 -44.89 96.05 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 118.318 0.508 . . . . 72.43 110.523 174.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -58.96 -46.41 88.11 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.884 0.74 . . . . 64.53 110.386 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.4 mmp_? -60.04 -50.0 75.43 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 124.328 1.017 . . . . 54.22 110.895 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.53 -35.04 78.18 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.296 1.039 . . . . 72.25 111.852 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.27 -48.05 81.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.869 0.731 . . . . 63.01 109.559 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.49 -45.57 79.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.83 0.852 . . . . 65.31 111.372 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 93' ' ' ILE . 97.5 mt -60.32 -52.28 65.94 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.914 0.759 . . . . 70.52 109.883 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.0 t -59.2 -39.13 81.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.118 0.967 . . . . 71.1 111.722 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.5 t -63.83 -33.26 75.28 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.648 0.592 . . . . 72.2 110.814 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.9 mt -84.56 -30.88 24.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.939 0.895 . . . . 71.32 111.898 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 89' ' ' LEU . 96.9 mt -66.94 -52.58 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.402 0.681 . . . . 51.34 110.159 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.8 -25.4 58.95 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.843 0.714 . . . . 52.12 113.946 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -70.37 -53.44 16.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.158 0.583 . . . . 61.31 110.516 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.566 HG23 HG22 ' A' ' 433' ' ' VAL . 26.9 m -83.55 -21.86 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.74 0.816 . . . . 75.04 112.495 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 107.369 -1.345 . . . . 73.23 107.369 -177.359 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.939 -0.393 . . . . 63.12 109.939 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.02 -44.89 83.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.147 0.579 . . . . 70.21 111.196 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.6 mt-10 -63.91 -56.34 15.99 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.096 0.873 . . . . 73.0 110.409 -176.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.9 t -60.82 -40.42 92.67 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 123.698 0.623 . . . . 65.14 111.604 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 433' ' ' VAL . . . . . 0.566 HG22 HG23 ' A' ' 96' ' ' VAL . 55.7 t -60.39 -49.78 82.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 N-CA-C 109.029 -0.73 . . . . 53.44 109.029 174.152 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.91 -29.07 69.99 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.893 0.877 . . . . 61.23 112.346 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.1 mmt180 -68.39 -57.08 6.43 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 109.486 -0.561 . . . . 73.04 109.486 178.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -70.1 -25.57 63.57 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.602 -0.726 . . . . 74.55 111.627 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -72.12 -45.78 59.22 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.057 0.943 . . . . 72.11 109.714 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.55 -52.92 59.01 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 123.802 0.689 . . . . 51.24 109.7 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -55.47 -41.33 72.81 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.061 0.851 . . . . 64.11 111.459 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.44 -63.89 1.05 Allowed 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 118.899 -0.572 . . . . 74.14 109.935 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 44.1 m -55.35 -34.71 64.51 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.387 1.075 . . . . 64.5 112.374 -173.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -70.58 -50.78 33.73 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.79 0.836 . . . . 74.24 111.432 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.462 HD12 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -74.0 -18.47 60.85 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 122.636 0.374 . . . . 73.25 111.009 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.23 -44.24 18.06 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.593 1.157 . . . . 75.24 110.527 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.7 t -67.65 -32.95 73.99 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 109.341 -0.614 . . . . 72.4 109.341 172.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.493 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.7 ttt -62.5 -44.08 97.24 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 109.756 -0.461 . . . . 44.33 109.756 171.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 36.7 tpp -60.47 -50.28 74.2 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.397 1.079 . . . . 74.1 112.037 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 8.6 p -66.58 -40.68 89.07 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.479 -0.782 . . . . 71.34 111.304 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.57 -36.22 70.85 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 119.068 -0.491 . . . . 72.35 111.425 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.493 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -73.75 -23.93 59.81 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.798 0.332 . . . . 45.11 110.16 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.4 -53.14 25.75 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.335 0.654 . . . . 62.43 109.541 172.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -56.17 -47.02 79.08 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 124.518 1.127 . . . . 61.11 111.253 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.48 ' HB ' HG21 ' A' ' 44' ' ' ILE . 34.0 p -62.13 -61.26 2.59 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.016 -0.993 . . . . 72.3 109.962 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.1 p -53.19 -29.53 32.44 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.463 0.705 . . . . 71.03 112.843 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 71.2 m -59.83 -62.44 1.87 Allowed 'General case' 0 C--O 1.247 0.962 0 C-N-CA 122.919 0.488 . . . . 74.02 110.554 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 456' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 3.7 p90 -73.86 -21.2 60.19 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.551 0.575 . . . . 65.35 112.551 -178.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.668 HD21 HG23 ' A' ' 44' ' ' ILE . 66.6 mt -69.47 -42.41 74.89 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.568 0.747 . . . . 73.23 110.621 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 3.7 t -75.8 -33.18 60.12 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 123.542 0.526 . . . . 64.4 110.692 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.76 -42.96 99.92 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.443 0.464 . . . . 72.51 110.306 171.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -62.79 -40.37 97.13 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.145 -0.934 . . . . 71.4 110.393 175.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -64.48 -40.34 95.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.147 0.579 . . . . 71.14 110.37 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 57.7 m -63.81 -45.21 90.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.417 0.687 . . . . 72.32 110.603 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.66 -50.74 23.05 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.052 0.453 . . . . 74.42 111.814 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 464' ' ' MET . . . . . 0.469 ' SD ' HG23 ' A' ' 64' ' ' VAL . 59.0 ttm -63.47 -33.02 74.64 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.834 0.854 . . . . 72.43 111.513 -174.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -89.18 -56.45 3.27 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 122.637 0.375 . . . . 61.33 110.046 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 78.53 1.78 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 112.316 0.487 . . . . 65.45 112.316 174.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 CA--C 1.56 1.339 0 O-C-N 121.578 -0.702 . . . . 64.05 110.708 167.266 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 112.199 0.444 . . . . 61.54 112.199 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -68.54 -35.79 77.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.218 0.607 . . . . 61.54 110.994 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 8' ' ' ILE . 76.1 m -73.38 -41.93 62.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.844 -0.616 . . . . 64.41 111.331 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.39 -38.07 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 117.827 0.285 . . . . 74.54 110.988 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.54 -37.86 83.34 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 109.57 -0.53 . . . . 72.53 109.57 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.468 ' HE1' HG23 ' A' ' 52' ' ' THR . 60.9 t80 -53.55 -55.49 25.11 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.112 0.965 . . . . 73.13 110.547 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.472 HG12 HG23 ' A' ' 60' ' ' ILE . 92.4 mt -55.72 -57.98 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.136 0.974 . . . . 65.25 111.463 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 88.6 m-20 -57.08 -46.6 82.39 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.606 1.191 . . . . 74.42 111.737 -172.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' O ' HG13 ' A' ' 14' ' ' ILE . 62.3 mtm180 -74.76 -32.04 61.96 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 118.41 -0.805 . . . . 71.45 111.663 -174.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -64.68 -37.79 88.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 118.542 0.61 . . . . 74.24 110.64 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -60.44 -44.48 95.78 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 123.69 0.618 . . . . 54.13 109.779 173.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 44.3 mmt-85 -58.89 -49.85 76.23 Favored 'General case' 0 C--N 1.359 1.02 0 O-C-N 123.578 0.549 . . . . 63.1 109.883 175.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.9 mt -55.58 -44.69 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.137 0.975 . . . . 65.14 111.164 -175.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.59 -47.35 32.88 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 123.619 0.768 . . . . 64.45 112.62 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.5 mt -71.99 -38.82 69.62 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.308 -0.405 . . . . 74.33 110.439 -176.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.7 mt -69.78 -40.4 76.06 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 118.404 -0.808 . . . . 63.42 110.663 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 70.3 p -59.6 -43.78 93.61 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.521 0.513 . . . . 74.54 110.545 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.03 -43.26 99.18 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 123.89 0.744 . . . . 42.52 110.704 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -63.16 -52.59 61.79 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.377 0.671 . . . . 64.03 112.02 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.595 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.0 pp -71.4 -22.34 61.88 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.847 0.459 . . . . 74.3 111.433 -177.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.86 -44.9 88.21 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 122.762 0.425 . . . . 72.33 110.16 172.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -57.64 -45.65 85.19 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.021 0.826 . . . . 74.22 110.092 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 32' ' ' LEU . 55.5 mt -64.82 -32.49 74.21 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.847 0.859 . . . . 75.22 111.7 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -72.5 -46.43 54.72 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.658 0.783 . . . . 61.22 110.813 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -76.44 -17.6 59.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.053 0.541 . . . . 74.43 111.855 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -85.81 -26.54 25.67 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.807 0.443 . . . . 65.33 110.065 169.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.52 1.66 50.18 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-O 118.927 -0.93 . . . . 75.05 114.684 174.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -68.54 88.43 0.34 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.477 1.138 . . . . 74.32 109.985 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -68.5 -36.87 79.5 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 123.054 0.541 . . . . 75.44 110.173 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.56 -46.85 80.49 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.463 0.705 . . . . 74.02 111.062 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.559 ' HB3' HD13 ' A' ' 24' ' ' LEU . 85.5 mt -75.62 -35.59 60.45 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.736 -0.665 . . . . 62.34 111.167 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.595 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.4 tp -57.56 -46.18 84.27 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.786 0.835 . . . . 74.54 110.432 173.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.43 HD21 HD12 ' A' ' 443' ' ' LEU . 78.9 mt -77.38 -25.17 50.67 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.217 1.007 . . . . 71.15 111.36 -177.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -65.0 -39.58 93.67 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.256 0.55 . . . . 73.32 109.579 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -87.58 -19.0 28.42 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.415 -0.811 . . . . 73.23 111.63 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.3 -59.92 3.27 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.044 0.937 . . . . 64.45 111.339 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.8 m -59.19 -42.7 87.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 CA-C-N 114.777 -1.102 . . . . 53.33 111.243 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 m -61.09 -47.05 88.09 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.84 0.856 . . . . 71.11 110.479 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 26.5 t80 -69.62 -61.32 1.83 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.52 1.528 . . . . 74.11 111.869 -172.185 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.24 -40.53 86.23 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.028 0.83 . . . . 75.45 110.951 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.91 -40.92 99.07 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.428 0.455 . . . . 72.44 111.587 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 m -60.64 -41.09 94.24 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.411 0.444 . . . . 53.32 111.226 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.485 HG23 HD21 ' A' ' 457' ' ' LEU . 58.5 mt -63.89 -44.46 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-O 121.44 0.638 . . . . 75.41 110.08 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -57.51 -47.55 81.65 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.795 -1.093 . . . . 75.03 111.323 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -77.36 -30.35 53.79 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.478 0.547 . . . . 72.55 112.478 -171.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.28 -31.68 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 CA-C-N 118.682 0.674 . . . . 62.33 110.241 172.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.413 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 25.4 mmt -82.78 -24.94 33.21 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 112.622 0.601 . . . . 74.21 112.622 176.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.17 -29.33 63.91 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.912 0.485 . . . . 61.15 110.047 171.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -88.47 18.51 4.47 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.905 0.882 . . . . 71.24 110.419 168.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 48.89 14.89 0.08 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 127.152 2.181 . . . . 65.34 115.792 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.468 HG23 ' HE1' ' A' ' 7' ' ' PHE . 98.7 m 56.86 94.04 0.05 OUTLIER Pre-proline 0 CA--C 1.561 1.385 0 C-N-CA 123.789 0.835 . . . . 74.41 109.971 -168.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.461 ' O ' HG12 ' A' ' 56' ' ' ILE . 16.9 Cg_endo -55.67 136.83 76.11 Favored 'Trans proline' 0 C--N 1.385 2.464 0 C-N-CA 122.8 2.334 . . . . 71.04 111.822 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 11.9 Cg_exo -73.56 -9.6 22.93 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.672 2.248 . . . . 63.44 113.393 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.92 58.54 5.03 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 112.09 -0.404 . . . . 62.54 112.09 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 53' ' ' PRO . 45.1 mm -123.43 115.43 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.694 1.198 . . . . 72.22 108.675 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -74.95 174.29 9.49 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.027 0.531 . . . . 75.35 110.293 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -28.63 67.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.679 0.392 . . . . 75.4 111.211 -175.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -70.32 -47.75 59.67 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.543 0.737 . . . . 71.42 110.531 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.538 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 93.6 mt -67.41 -39.0 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.098 -0.955 . . . . 71.51 109.842 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.07 -40.74 90.56 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.973 0.909 . . . . 75.31 111.091 175.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.27 -50.25 73.79 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.612 0.57 . . . . 74.44 110.187 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.538 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 49.6 mtm -55.08 -54.37 44.01 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 124.258 0.974 . . . . 75.15 110.46 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.5 m -75.32 -28.09 20.01 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 CA-C-O 118.624 -0.703 . . . . 72.22 112.551 -171.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.34 82.32 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.3 -0.629 . . . . 70.13 109.3 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.99 -36.92 92.68 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.541 -0.754 . . . . 65.12 112.108 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.462 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 21.5 m-85 -68.67 -36.53 78.65 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.169 0.588 . . . . 55.3 111.399 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 64' ' ' VAL . 52.3 mt -71.99 -38.87 65.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 108.898 -0.778 . . . . 73.33 108.898 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -55.7 -48.6 74.84 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.335 0.654 . . . . 74.23 110.622 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -61.36 -50.83 71.32 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 115.33 -0.85 . . . . 54.51 111.021 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.496 HG22 ' HA ' ' A' ' 68' ' ' ILE . 7.5 t -63.53 -40.17 96.34 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 123.584 0.553 . . . . 71.13 110.823 -174.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.38 -42.06 98.83 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.429 0.692 . . . . 70.11 111.109 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.67 -56.92 14.56 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.785 0.678 . . . . 73.12 110.421 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -66.01 -38.56 88.78 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.508 -0.769 . . . . 63.11 111.792 -173.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 78' ' ' LEU . 37.0 tt0 -77.27 -27.7 53.23 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.112 0.965 . . . . 73.51 111.463 -176.087 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -66.22 -41.06 90.65 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.123 0.569 . . . . 65.44 109.814 169.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.3 -32.53 72.73 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.445 -0.798 . . . . 73.21 110.941 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.0 mt -64.63 -45.86 85.04 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.946 0.498 . . . . 55.12 110.004 172.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -53.34 -52.49 59.04 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 123.974 0.796 . . . . 71.24 110.451 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -66.51 -49.31 57.06 Favored Glycine 0 C--N 1.351 1.416 0 O-C-N 123.941 0.776 . . . . 55.42 113.496 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.99 -55.97 27.47 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.464 1.105 . . . . 62.12 110.369 -176.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.438 HD22 HD23 ' A' ' 443' ' ' LEU . 62.6 mt -68.02 -27.03 66.2 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.236 -0.893 . . . . 62.13 110.581 -177.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.08 -44.13 97.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.65 0.38 . . . . 73.14 110.244 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 22.1 mt-30 -58.79 -51.48 69.82 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.212 0.945 . . . . 55.12 109.557 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -59.98 -44.65 94.35 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.948 -1.024 . . . . 71.43 111.899 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 443' ' ' LEU . 73.7 mt -73.04 -31.3 64.34 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.517 0.727 . . . . 62.03 111.646 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.06 -40.93 95.45 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.685 0.615 . . . . 75.12 109.377 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 34.5 mt-10 -69.51 -47.05 65.05 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.159 0.912 . . . . 75.23 110.89 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 93' ' ' ILE . 89.8 mt -59.23 -49.54 77.44 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.186 0.594 . . . . 74.25 110.004 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.7 t -60.52 -38.14 83.44 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.66 0.784 . . . . 55.33 111.303 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.8 t -63.24 -33.11 74.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.018 0.527 . . . . 62.34 110.864 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 85.9 mt -73.47 -49.14 28.32 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.15 0.58 . . . . 65.54 109.628 175.229 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 89' ' ' LEU . 89.2 mt -58.71 -41.53 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 124.476 1.11 . . . . 74.33 111.79 -174.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.29 -23.55 71.7 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 121.906 -0.188 . . . . 52.41 113.427 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -100.03 -29.84 12.31 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.272 0.629 . . . . 73.34 112.002 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.504 HG23 HG22 ' A' ' 433' ' ' VAL . 23.4 m -97.08 -32.41 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 122.846 0.458 . . . . 74.53 111.21 -175.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 106.312 -1.736 . . . . 71.23 106.312 172.348 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.222 -0.288 . . . . 71.04 110.222 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.63 -46.49 70.51 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 123.421 0.689 . . . . 64.42 110.967 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -70.59 -50.07 41.15 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.736 -1.12 . . . . 65.54 111.34 -172.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.3 t -68.58 -40.44 80.52 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 123.487 0.492 . . . . 61.31 111.455 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 433' ' ' VAL . . . . . 0.504 HG22 HG23 ' A' ' 96' ' ' VAL . 55.5 t -66.7 -38.24 81.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.551 0 C-N-CA 123.314 0.646 . . . . 71.32 109.716 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -67.73 -29.08 68.23 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.091 0.556 . . . . 64.41 111.228 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -72.0 -45.06 62.32 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.671 0.388 . . . . 71.14 110.368 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -64.73 -39.63 93.97 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.469 0.48 . . . . 75.31 110.649 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.87 -39.99 83.63 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.944 1.297 . . . . 50.51 110.511 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -66.36 -57.18 8.01 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.966 0.507 . . . . 42.35 110.645 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -61.24 -34.54 75.3 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.936 0.773 . . . . 75.21 110.673 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -62.17 -64.99 0.76 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 109.233 -0.654 . . . . 61.33 109.233 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 34.3 m -58.76 -34.32 71.28 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.31 1.044 . . . . 61.24 112.401 -171.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.05 -58.05 7.07 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.537 0.735 . . . . 72.53 111.334 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.543 ' HB2' HD21 ' A' ' 86' ' ' LEU . 7.9 mp -70.57 -18.73 62.91 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.12 0.568 . . . . 72.01 110.825 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.37 -53.35 8.28 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.145 1.378 . . . . 74.13 110.835 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.0 t -67.06 -30.82 70.98 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 123.511 0.507 . . . . 73.32 109.69 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.662 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.4 ttt -59.96 -47.98 83.57 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 123.865 0.728 . . . . 63.5 109.396 173.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.6 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 47.3 ttm -64.06 -46.97 81.98 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.285 0.991 . . . . 75.0 112.152 -175.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 7.8 p -63.71 -37.12 86.16 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 123.557 0.536 . . . . 54.13 111.201 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -71.82 -40.95 68.75 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 119.241 -0.409 . . . . 72.42 111.231 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.662 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -77.46 -21.28 53.15 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 117.941 0.337 . . . . 74.14 111.135 -175.348 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -82.35 -38.25 24.5 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.095 -0.706 . . . . 74.21 109.095 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -57.61 -50.06 74.39 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.891 0.876 . . . . 63.53 109.787 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.409 ' HB ' HG21 ' A' ' 44' ' ' ILE . 41.6 p -63.54 -61.61 2.21 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 115.063 -0.971 . . . . 75.32 109.763 -178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 77.6 p -51.27 -32.02 23.21 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.497 0.719 . . . . 62.43 112.824 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -63.14 -62.24 1.84 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 122.898 0.479 . . . . 72.13 110.574 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 456' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 1.7 p90 -70.9 -20.74 62.47 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.067 0.395 . . . . 65.25 112.067 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.485 HD21 HG23 ' A' ' 44' ' ' ILE . 65.2 mt -71.92 -43.46 65.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.776 0.83 . . . . 71.33 110.549 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.5 t -72.08 -33.34 67.82 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.303 0.377 . . . . 62.33 110.673 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.4 -50.2 72.47 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.048 0.452 . . . . 74.43 110.113 171.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.47 -36.33 83.82 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.189 -0.914 . . . . 75.05 110.076 -177.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' PHE . . . . . 0.516 ' HB2' HG21 ' A' ' 68' ' ' ILE . 40.9 t80 -65.0 -45.21 86.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.674 0.79 . . . . 74.32 110.482 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 52.0 m -59.94 -38.37 82.22 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.121 0.888 . . . . 54.4 110.136 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.17 -51.19 18.77 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.864 0.466 . . . . 55.21 111.724 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.1 ttm -60.33 -34.73 74.24 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.915 0.886 . . . . 71.44 110.783 -174.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -86.6 -67.71 0.79 Allowed 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.158 -0.928 . . . . 74.15 109.06 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 78.0 1.69 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 118.069 0.395 . . . . 74.31 112.026 175.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 C--O 1.255 1.348 0 CA-C-O 118.965 -0.54 . . . . 51.31 111.233 171.813 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 112.105 0.409 . . . . 50.44 112.105 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -64.7 -41.14 96.23 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.84 0.856 . . . . 74.51 111.809 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.494 ' O ' HG13 ' A' ' 8' ' ' ILE . 33.4 m -74.54 -36.63 63.13 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.538 -0.755 . . . . 70.41 111.385 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.4 p -76.95 -39.22 29.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 119.501 -0.285 . . . . 71.15 110.516 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.99 -36.04 82.68 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.425 -0.583 . . . . 60.21 109.425 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 63.0 t80 -55.63 -57.71 10.82 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.501 1.12 . . . . 75.13 111.448 172.59 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 4' ' ' THR . 66.1 mt -57.28 -58.19 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 123.952 0.901 . . . . 73.34 110.746 -177.174 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.494 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 82.3 m-20 -52.93 -53.45 49.34 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 125.144 1.527 . . . . 72.2 111.592 -174.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.498 HH21 ' HD3' ' A' ' 50' ' ' LYS . 87.3 mtm180 -73.07 -36.21 66.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 118.415 -0.802 . . . . 72.44 112.846 -171.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -62.42 -40.88 97.99 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.769 0.713 . . . . 74.2 110.37 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -59.08 -43.82 91.83 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.235 1.014 . . . . 70.41 110.047 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 78.9 mmt-85 -62.48 -44.55 96.11 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.868 0.73 . . . . 72.43 111.009 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 10' ' ' ARG . 75.7 mt -60.87 -41.78 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 124.052 0.845 . . . . 73.33 111.24 -177.113 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.75 89.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.051 0.54 . . . . 70.24 111.523 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.32 -43.65 94.02 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.404 -0.816 . . . . 75.44 110.922 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 86.1 mt -67.31 -49.16 65.26 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.7 0.8 . . . . 63.21 110.463 -176.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 57.8 p -58.38 -46.27 86.65 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 124.243 0.964 . . . . 73.33 111.289 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.27 -44.2 97.63 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 124.193 0.933 . . . . 75.02 111.01 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.5 m -61.2 -54.23 46.85 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 123.887 0.742 . . . . 72.33 111.266 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -72.86 -19.02 61.38 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.098 0.559 . . . . 73.3 111.977 -175.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 74' ' ' ASN . 61.4 tp -68.94 -44.97 71.94 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.545 -0.539 . . . . 74.14 109.545 171.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.1 -38.81 77.16 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.109 0.881 . . . . 42.25 110.142 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 21' ' ' LEU . 59.1 mt -68.1 -43.88 77.48 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.403 -0.817 . . . . 70.34 111.112 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.08 88.95 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.568 0.747 . . . . 64.41 111.41 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -75.6 -29.61 59.3 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 123.349 0.405 . . . . 75.31 110.504 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.605 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -71.81 -22.73 61.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.54 0.736 . . . . 71.3 111.666 173.852 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 10.53 65.39 Favored Glycine 0 C--N 1.343 0.969 0 O-C-N 123.246 0.341 . . . . 60.11 112.85 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.605 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 17.6 mm-40 -75.48 82.07 2.53 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.724 0.81 . . . . 60.42 109.229 175.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.52 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 7.5 m95 -70.51 -44.26 67.94 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 122.778 0.431 . . . . 70.45 110.462 -177.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.44 -48.83 68.45 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.947 0.899 . . . . 70.24 111.417 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.76 -38.11 83.01 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.186 -0.915 . . . . 44.12 110.643 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.544 HD12 ' HB2' ' A' ' 21' ' ' LEU . 54.8 tp -61.24 -37.78 84.3 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.387 1.075 . . . . 71.45 111.078 175.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 83.2 mt -72.59 -33.71 66.91 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.218 1.007 . . . . 61.34 111.334 -178.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.67 -40.39 94.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.495 0.664 . . . . 71.3 109.88 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -82.48 -19.43 38.84 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.522 -1.217 . . . . 72.32 111.729 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.58 -62.12 1.86 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.193 0.997 . . . . 75.43 111.353 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.5 -41.27 89.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 115.018 -0.992 . . . . 75.14 112.039 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.4 p -70.08 -52.42 24.05 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.536 0.734 . . . . 71.43 110.684 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 36.3 t80 -60.27 -50.88 71.87 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.466 1.106 . . . . 71.12 111.969 -176.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.498 HD13 ' HD3' ' A' ' 449' ' ' LYS . 96.0 mt -61.92 -42.55 99.22 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.694 0.622 . . . . 74.51 110.459 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.97 -36.63 77.54 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.195 0.598 . . . . 73.1 111.394 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.4 m -62.78 -37.54 87.08 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.313 0.645 . . . . 61.15 110.394 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.5 ' HA ' HG22 ' A' ' 47' ' ' VAL . 46.1 mt -72.12 -38.24 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 CA-C-N 115.651 -0.704 . . . . 73.05 110.866 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.93 -43.67 86.42 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.675 0.39 . . . . 75.35 111.256 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.409 HG23 ' HD2' ' A' ' 10' ' ' ARG . 13.9 t -78.33 -25.73 46.56 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 123.186 0.304 . . . . 74.35 111.554 -174.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 44' ' ' ILE . 32.6 m -78.38 -18.58 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.698 -0.626 . . . . 72.12 111.385 170.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.1 mmt -86.1 -21.31 27.72 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.776 0.43 . . . . 74.13 111.104 171.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -73.27 -31.63 64.19 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 122.883 0.473 . . . . 55.23 110.231 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HD3' HH21 ' A' ' 10' ' ' ARG . 16.2 pttp -85.65 -19.55 30.77 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.705 0.402 . . . . 70.21 110.745 172.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 60.81 -89.46 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.868 1.267 . . . . 65.13 109.286 -167.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 m -174.57 106.54 0.28 Allowed Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.087 1.755 . . . . 62.43 106.963 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.437 ' O ' HG12 ' A' ' 56' ' ' ILE . 51.2 Cg_exo -58.76 139.92 92.81 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.71 2.273 . . . . 74.3 112.73 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.09 -28.25 87.29 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.97 2.447 . . . . 73.01 113.924 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.45 66.76 3.62 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 122.987 0.18 . . . . 53.51 113.531 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 53' ' ' PRO . 48.6 mm -126.01 120.5 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.49 1.116 . . . . 73.04 108.023 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -77.29 174.47 10.74 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.644 0.378 . . . . 73.44 111.133 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HD2' ' H ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -66.13 -34.27 77.66 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.343 1.057 . . . . 65.3 112.323 -174.242 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.49 ' H ' ' HD2' ' A' ' 58' ' ' ARG . 49.9 m -72.09 -44.8 62.67 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.864 0.466 . . . . 72.11 110.758 -178.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.485 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 94.8 mt -67.91 -40.0 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.044 0.938 . . . . 75.24 110.259 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -61.5 -38.22 86.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.233 1.013 . . . . 70.33 110.48 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.08 -51.27 64.86 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.268 0.627 . . . . 74.4 111.184 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 44.6 mtm -55.87 -53.06 61.36 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 123.823 0.702 . . . . 75.5 110.513 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 68' ' ' ILE . 31.9 m -71.27 -31.27 43.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 CA-C-N 115.311 -0.859 . . . . 72.45 112.086 -173.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.04 85.79 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.164 0.438 . . . . 55.45 109.916 173.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.7 -42.43 98.66 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.767 -0.651 . . . . 63.44 111.752 172.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 22.4 m-85 -65.36 -39.6 92.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.556 0.742 . . . . 73.43 111.848 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 64' ' ' VAL . 72.9 mt -72.03 -39.9 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.333 -0.618 . . . . 62.53 109.333 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.8 -40.49 95.41 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.327 0.251 . . . . 70.31 110.434 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.47 -53.17 61.25 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.028 0.83 . . . . 72.11 110.081 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 t -67.26 -30.09 69.89 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 124.274 0.984 . . . . 71.13 111.386 -172.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.73 -46.24 72.74 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.455 0.702 . . . . 75.14 110.722 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.2 -46.94 78.7 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.195 0.934 . . . . 75.11 110.496 -177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.429 ' HA ' HD22 ' A' ' 22' ' ' LEU . 76.3 m-20 -62.88 -46.45 87.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.526 0.73 . . . . 74.25 110.52 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.572 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.1 tt0 -72.83 -22.61 60.77 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.25 1.02 . . . . 71.43 111.939 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -68.14 -45.35 73.81 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.454 0.702 . . . . 53.14 109.612 170.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.33 -27.39 65.32 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.731 -0.668 . . . . 71.41 110.946 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 75' ' ' GLU . 91.0 mt -66.71 -47.35 72.62 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.146 0.579 . . . . 71.12 109.736 170.407 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -53.63 -49.28 68.22 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.133 0.896 . . . . 75.3 110.537 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -65.65 -59.35 7.77 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.307 0.379 . . . . 75.15 113.071 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.85 -50.08 75.17 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.18 0.992 . . . . 63.25 111.239 -172.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 68.9 mt -72.05 -27.9 63.0 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 118.656 -0.688 . . . . 55.01 111.377 -177.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.71 -37.02 86.16 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 118.489 0.586 . . . . 75.53 110.463 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 22.5 mt-30 -61.68 -49.34 76.91 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.076 0.86 . . . . 72.34 109.212 174.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -54.43 -46.11 73.17 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.443 1.089 . . . . 72.41 111.53 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 83.7 mt -65.66 -39.2 91.1 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.948 0.78 . . . . 74.54 111.398 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.25 -42.07 96.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.357 0.663 . . . . 63.1 110.33 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.2 mt-10 -65.83 -55.05 19.12 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.044 -0.98 . . . . 54.14 110.588 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.71 -33.31 75.66 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.763 0.825 . . . . 65.12 111.739 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 t -64.83 -42.42 94.97 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.285 0.634 . . . . 63.32 110.067 176.444 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 28.0 t -63.57 -43.04 98.15 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.659 -0.701 . . . . 63.31 110.205 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 98.1 mt -64.17 -43.11 96.14 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.612 0.765 . . . . 73.42 111.649 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.74 -42.68 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.581 0.752 . . . . 52.42 109.402 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.35 -27.41 71.61 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.487 -0.778 . . . . 63.31 113.954 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.4 mm100 -86.33 -45.56 11.11 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.404 0.682 . . . . 73.1 111.687 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.68 -33.83 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 111.876 0.324 . . . . 64.5 111.876 -173.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 108.168 -1.049 . . . . 74.33 108.168 -178.599 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 110.127 -0.323 . . . . 61.31 110.127 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.76 -42.89 94.27 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 123.163 0.585 . . . . 71.02 111.135 172.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.7 mt-10 -67.99 -35.58 78.58 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.761 0.663 . . . . 71.42 110.735 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.9 m -57.08 -52.9 63.44 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.949 0.899 . . . . 73.05 110.638 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.78 -37.11 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 114.318 -1.31 . . . . 63.52 110.807 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.03 89.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.012 0.525 . . . . 73.14 111.092 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 28.0 mmt180 -66.12 -55.45 16.39 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.61 0.569 . . . . 71.51 110.066 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -66.49 -41.95 88.14 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.225 -0.898 . . . . 75.21 112.043 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -76.33 -28.62 56.96 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.774 0.671 . . . . 62.53 110.848 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.84 -59.7 4.96 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.398 -0.593 . . . . 64.34 109.398 171.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -62.47 -35.72 80.22 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.617 -0.719 . . . . 64.42 110.921 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -68.12 -64.64 0.82 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 123.095 0.558 . . . . 70.44 110.271 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.6 m -58.37 -33.37 69.51 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.408 1.083 . . . . 73.34 112.245 -171.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.409 ' HB3' HD22 ' A' ' 34' ' ' LEU . 93.0 mt-30 -73.81 -53.39 10.37 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.327 0.651 . . . . 74.14 110.923 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.21 -20.1 66.28 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 117.577 0.171 . . . . 72.52 111.278 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -80.26 -46.06 16.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.875 1.27 . . . . 75.54 111.066 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.0 t -67.11 -36.67 82.43 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 109.574 -0.528 . . . . 63.34 109.574 174.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.621 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.3 ttt -60.12 -43.08 95.93 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.932 0.77 . . . . 73.33 109.663 174.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.564 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 4.2 ttm -67.95 -51.1 51.49 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.026 0.829 . . . . 63.35 112.908 -176.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 57.2 p -58.35 -40.73 82.96 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.76 0.663 . . . . 44.4 110.35 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 449' ' ' LYS . . . . . 0.498 ' HD3' HD13 ' A' ' 41' ' ' LEU . 8.1 mtpm? -69.82 -45.74 67.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.12 -0.946 . . . . 75.02 110.883 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.621 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.6 pp -73.08 -20.97 60.85 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 118.24 0.473 . . . . 64.14 111.309 -172.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -76.49 -45.42 31.09 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.981 -0.748 . . . . 64.15 108.981 174.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -58.09 -42.8 86.4 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.07 0.856 . . . . 74.32 110.444 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 456' ' ' TYR . 67.4 p -66.67 -59.5 3.54 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 123.785 0.678 . . . . 51.05 109.869 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.0 p -53.4 -29.27 34.02 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.556 0.742 . . . . 71.04 112.466 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.474 ' O ' HG22 ' A' ' 458' ' ' THR . 23.3 t -63.92 -62.77 1.42 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.42 0.688 . . . . 72.02 110.96 175.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 456' ' ' TYR . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 1.2 p90 -72.94 -20.98 60.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.507 -0.745 . . . . 73.22 112.371 -177.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.84 -34.1 60.07 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.258 0.623 . . . . 51.42 110.47 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 455' ' ' SER . 13.0 t -74.23 -33.09 63.24 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 117.878 0.308 . . . . 55.44 110.386 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 459' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 455' ' ' SER . 83.5 mt-30 -64.47 -47.04 80.5 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 123.467 0.479 . . . . 74.51 109.898 172.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -60.31 -39.78 88.2 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 114.67 -1.15 . . . . 72.42 110.204 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.11 -47.54 76.79 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 123.606 0.762 . . . . 71.32 110.807 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 94.2 m -60.58 -41.2 94.19 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 123.975 0.797 . . . . 61.24 111.276 -175.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.33 -52.99 8.83 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.927 -0.579 . . . . 70.24 111.558 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' MET . . . . . 0.477 ' SD ' HG23 ' A' ' 64' ' ' VAL . 53.8 ttm -61.15 -33.24 73.1 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.426 0.69 . . . . 44.53 110.994 -176.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -73.27 -71.47 0.31 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.316 -0.994 . . . . 74.44 108.316 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 86.23 2.46 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 112.88 0.696 . . . . 71.45 112.88 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 CA--C 1.558 1.252 0 O-C-N 121.761 -0.587 . . . . 74.52 109.881 162.316 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.4 p . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 112.05 0.389 . . . . 65.1 112.05 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -64.88 -35.1 80.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.723 0.809 . . . . 71.35 111.388 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.418 ' O ' HG13 ' A' ' 8' ' ' ILE . 38.5 m -78.44 -40.08 36.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 122.869 0.468 . . . . 72.12 111.542 -177.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.7 p -70.6 -37.06 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 118.117 0.417 . . . . 74.45 110.959 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.69 -40.58 88.59 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 109.242 -0.651 . . . . 74.24 109.242 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' THR . 57.9 t80 -52.69 -53.82 42.12 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.116 0.966 . . . . 74.41 111.418 173.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 4' ' ' THR . 98.7 mt -55.31 -59.34 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 124.589 1.156 . . . . 63.13 111.186 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 88.2 m-20 -60.68 -46.08 91.73 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.428 -1.26 . . . . 71.03 111.807 -172.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 14' ' ' ILE . 80.6 mtm180 -72.81 -35.04 67.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 118.564 -0.731 . . . . 74.32 111.832 -173.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.473 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 48.5 m95 -61.32 -41.4 96.96 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 118.609 0.641 . . . . 63.55 110.274 172.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.28 -42.41 95.38 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.585 0.553 . . . . 72.13 110.519 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 22.0 mmt180 -59.47 -45.61 91.14 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.656 0.598 . . . . 71.12 110.196 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' ARG . 90.2 mt -54.38 -50.64 55.76 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 O-C-N 124.396 1.06 . . . . 62.14 109.926 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.91 97.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.185 0.994 . . . . 72.24 112.802 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.65 -46.26 90.54 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.768 0.827 . . . . 75.14 110.141 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 90.8 mt -61.25 -45.89 92.63 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.811 -1.086 . . . . 74.11 110.066 177.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.0 m -52.22 -53.51 42.58 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.639 1.175 . . . . 54.43 111.139 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.95 -47.21 84.2 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-N 114.821 -1.081 . . . . 72.43 110.732 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 52.2 m -57.99 -55.84 29.67 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.951 0.782 . . . . 70.55 111.831 -177.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.588 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -70.3 -25.13 63.18 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.219 0.608 . . . . 53.24 112.071 -175.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.6 tp -63.98 -46.48 84.42 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.467 0.479 . . . . 43.42 110.067 175.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.69 -43.33 94.11 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.766 -1.107 . . . . 73.25 109.965 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 32' ' ' LEU . 67.1 mt -66.89 -29.2 69.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.844 0.857 . . . . 72.42 112.061 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.39 -46.15 56.56 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.559 0.744 . . . . 62.14 110.939 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -75.6 -22.34 57.0 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.046 0.538 . . . . 73.12 111.281 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 27.5 mmm-85 -70.93 -24.53 62.47 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.724 0.81 . . . . 72.43 110.934 170.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.66 8.24 73.87 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-N 116.243 -0.435 . . . . 70.03 112.64 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 34.5 mm-40 -76.51 89.77 3.28 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.05 0.94 . . . . 65.3 109.884 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -77.61 -35.68 52.54 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.489 0.493 . . . . 72.14 111.421 -176.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.86 -45.89 90.47 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.147 0.499 . . . . 62.5 110.087 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' A' ' 24' ' ' LEU . 87.8 mt -70.48 -41.06 73.21 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.11 -0.95 . . . . 60.32 111.129 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.0 tp -58.19 -49.36 77.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.716 0.806 . . . . 74.3 111.23 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 443' ' ' LEU . 81.7 mt -77.91 -18.71 55.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.857 0.863 . . . . 50.31 111.712 -175.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -67.58 -38.83 84.61 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.609 -0.515 . . . . 53.34 109.609 169.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 73.4 mm-40 -79.97 -27.52 39.69 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.435 -0.802 . . . . 75.45 110.822 178.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -47.23 -60.02 2.77 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.887 1.275 . . . . 72.4 111.809 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.7 m -58.94 -44.49 91.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 115.048 -0.978 . . . . 65.32 111.357 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m -60.15 -46.77 88.54 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.197 0.999 . . . . 51.14 110.571 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -68.81 -57.96 4.86 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 125.704 1.602 . . . . 72.23 111.993 -170.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.69 -40.59 97.59 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.125 0.891 . . . . 52.44 110.558 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -65.73 -38.12 88.26 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.513 0.508 . . . . 74.31 110.916 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.453 ' HA ' HG22 ' A' ' 46' ' ' THR . 69.0 m -61.08 -38.22 85.48 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.072 0.549 . . . . 71.45 111.331 177.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.565 HG23 HD21 ' A' ' 457' ' ' LEU . 75.4 mt -65.82 -43.03 93.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 121.459 0.647 . . . . 62.54 110.53 176.479 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.66 -35.48 77.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.313 0.645 . . . . 74.41 112.094 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 43' ' ' SER . 13.1 t -79.0 -31.25 44.7 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.66 0.384 . . . . 74.54 111.141 -175.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 m -70.87 -33.35 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 118.259 0.482 . . . . 75.41 110.086 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.1 mmt -77.42 -12.71 59.99 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.277 0.631 . . . . 73.03 112.405 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -67.69 -33.49 75.01 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 109.677 -0.49 . . . . 64.33 109.677 168.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -89.49 -17.92 27.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.432 0.693 . . . . 72.42 110.848 171.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 43.36 39.52 2.18 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 126.102 1.761 . . . . 74.04 112.911 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.9 m 68.07 101.51 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 125.146 1.379 . . . . 74.24 111.095 -174.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -51.57 155.67 7.21 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 123.466 2.777 . . . . 75.51 113.815 172.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -63.13 -38.52 44.87 Favored 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.761 2.307 . . . . 71.02 112.522 174.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.99 66.9 3.82 Favored Glycine 0 C--N 1.35 1.31 0 CA-C-N 115.964 -0.562 . . . . 71.42 113.107 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.5 mm -118.94 113.43 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 108.201 -1.037 . . . . 55.02 108.201 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -77.91 170.8 15.98 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.184 0.594 . . . . 61.34 110.009 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -24.99 65.03 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.292 0.637 . . . . 74.44 111.961 -174.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 63' ' ' MET . 29.0 t -72.35 -46.67 54.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.39 0.676 . . . . 73.12 110.545 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.417 HG23 HG12 ' A' ' 8' ' ' ILE . 80.2 mt -67.45 -41.11 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.749 0.819 . . . . 64.14 110.093 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.8 -46.43 74.47 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.831 1.253 . . . . 64.13 110.801 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.66 -49.28 78.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.95 0.9 . . . . 52.31 111.634 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 59' ' ' SER . 48.5 mtm -59.95 -55.97 27.44 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 123.789 0.681 . . . . 53.4 110.475 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 68' ' ' ILE . 29.2 m -69.11 -33.12 56.98 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 CA-C-N 115.388 -0.823 . . . . 74.43 111.693 -173.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.82 -34.67 78.43 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.386 0.429 . . . . 61.31 110.208 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -64.09 -39.33 97.08 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.697 -0.683 . . . . 64.54 111.958 172.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.86 -30.02 64.99 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.325 0.65 . . . . 61.35 111.456 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 64' ' ' VAL . 50.8 mt -73.75 -36.84 47.5 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 N-CA-C 109.049 -0.723 . . . . 64.14 109.049 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -60.01 -45.15 93.72 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.052 -0.722 . . . . 60.43 109.052 175.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 76.9 mt-30 -62.72 -49.03 76.67 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 115.684 -0.689 . . . . 54.34 111.079 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.547 HG22 ' HA ' ' A' ' 68' ' ' ILE . 10.7 t -64.24 -44.22 92.49 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 123.617 0.573 . . . . 72.41 110.728 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.44 -44.4 92.92 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.809 0.844 . . . . 62.11 112.062 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.44 -54.86 33.99 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.166 0.987 . . . . 75.0 110.657 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.429 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 10.1 m120 -67.68 -37.74 82.74 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.273 -0.876 . . . . 62.55 111.036 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.538 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.8 tt0 -73.97 -27.18 60.86 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.821 1.248 . . . . 74.44 111.564 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.47 -43.46 90.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.786 0.834 . . . . 75.11 110.043 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.82 -31.22 68.98 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.15 -0.932 . . . . 70.01 111.002 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 75' ' ' GLU . 92.3 mt -66.23 -42.07 89.18 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.365 0.666 . . . . 73.43 110.132 172.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.25 -52.32 63.78 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.861 0.725 . . . . 75.44 110.103 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.09 -46.47 65.39 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.761 0.663 . . . . 70.13 113.712 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.4 -56.32 19.36 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.184 0.993 . . . . 65.44 110.022 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.06 -22.56 64.02 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 115.772 -0.649 . . . . 73.34 111.473 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -61.68 -46.21 90.69 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.353 0.524 . . . . 64.21 110.192 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -59.82 -50.46 73.71 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.863 -1.062 . . . . 71.14 110.434 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.1 mmp_? -59.22 -49.37 78.11 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.006 -0.997 . . . . 63.13 111.286 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.2 -31.41 70.91 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.881 0.872 . . . . 75.11 112.152 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.79 -48.24 81.53 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.336 0.589 . . . . 71.54 109.604 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 33.4 mt-10 -60.69 -57.46 12.59 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 114.675 -1.148 . . . . 73.52 110.237 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 88.0 mt -56.61 -41.63 77.38 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.041 0.936 . . . . 74.51 111.506 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -60.55 -46.84 88.7 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.628 0.771 . . . . 61.04 110.966 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 26.9 t -65.22 -39.87 93.34 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 123.77 0.669 . . . . 74.32 111.061 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 95.9 mt -64.57 -47.64 77.97 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.555 0.742 . . . . 65.13 111.177 -177.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.63 -41.07 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.06 0.944 . . . . 62.24 109.671 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.22 -29.05 67.77 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 115.696 -0.684 . . . . 63.41 113.561 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.4 mm100 -86.89 -52.48 5.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.401 0.68 . . . . 74.31 111.315 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 26.7 m -75.43 -37.81 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.747 0.419 . . . . 74.32 111.495 -170.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 107.175 -1.417 . . . . 72.12 107.175 175.533 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 110.043 -0.355 . . . . 64.22 110.043 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.14 -45.09 91.87 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.662 0.785 . . . . 72.2 111.482 175.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 50.7 mt-10 -66.44 -48.88 68.56 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 123.832 0.708 . . . . 71.21 110.758 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.8 t -65.64 -34.21 77.7 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.039 0.212 . . . . 74.21 111.306 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 46.6 t -61.74 -51.01 77.87 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 N-CA-C 108.848 -0.797 . . . . 73.42 108.848 170.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.73 86.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.791 0.836 . . . . 70.14 112.547 -175.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 18.5 mmt180 -76.25 -54.24 7.07 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.8 0.44 . . . . 53.25 110.337 -175.751 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -67.88 -27.07 66.35 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.392 0.432 . . . . 73.14 111.395 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -75.75 -41.93 51.87 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.211 0.605 . . . . 63.2 110.508 176.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.1 73.04 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.337 0.398 . . . . 61.22 109.935 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -60.12 -44.35 94.96 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.428 0.691 . . . . 71.4 111.128 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.94 -57.13 14.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.744 0.418 . . . . 72.44 110.388 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 28.8 m -59.05 -35.7 73.78 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.106 0.962 . . . . 75.51 111.951 -175.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -71.19 -49.94 38.36 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.694 0.797 . . . . 73.21 111.591 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.487 HD12 HD21 ' A' ' 34' ' ' LEU . 10.4 mp -69.17 -21.96 63.95 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.742 0.417 . . . . 63.32 111.097 175.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.78 -43.36 16.83 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.967 0.907 . . . . 64.14 110.808 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.8 t -69.93 -31.89 69.88 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 109.068 -0.716 . . . . 43.14 109.068 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.564 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.3 ttt -62.55 -46.42 88.45 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 123.801 0.688 . . . . 70.1 109.608 171.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.484 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 17.4 ttm -62.67 -50.62 70.44 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.234 0.958 . . . . 73.53 112.366 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 24.3 p -63.78 -38.06 89.7 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.158 0.583 . . . . 71.21 110.792 -176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -70.35 -44.67 67.68 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 115.896 -0.593 . . . . 72.02 111.055 174.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.564 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -71.85 -19.13 62.01 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 118.016 0.371 . . . . 71.54 110.924 -176.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -74.8 -49.27 21.38 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.991 0.916 . . . . 75.43 109.158 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -60.46 -44.78 95.51 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-N 115.201 -0.909 . . . . 72.33 110.583 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.429 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 63.0 p -64.45 -59.56 4.2 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 118.108 -0.949 . . . . 63.34 109.736 -177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 80.9 p -52.39 -30.47 29.3 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.576 0.75 . . . . 75.44 112.585 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.4 t -60.62 -65.3 0.71 Allowed 'General case' 0 CA--C 1.548 0.899 0 O-C-N 123.677 0.611 . . . . 73.24 110.714 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -71.13 -18.33 62.52 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.645 0.609 . . . . 74.4 112.645 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.565 HD21 HG23 ' A' ' 44' ' ' ILE . 70.6 mt -77.19 -39.12 49.94 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.95 0.9 . . . . 62.44 111.22 177.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 12.3 t -72.44 -33.16 66.88 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 109.839 -0.43 . . . . 74.12 109.839 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -65.0 -46.56 80.91 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.591 0.557 . . . . 74.23 109.919 171.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -57.75 -44.05 85.84 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.545 1.138 . . . . 55.13 110.925 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -63.39 -55.37 24.96 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 124.09 0.869 . . . . 73.14 110.784 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 34.7 m -60.09 -37.47 80.03 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 124.13 0.894 . . . . 73.24 111.582 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.51 -50.63 20.49 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.091 0.556 . . . . 61.14 111.259 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 464' ' ' MET . . . . . 0.464 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.8 ttm -61.65 -35.57 78.3 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.375 0.67 . . . . 74.4 110.936 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -81.26 -66.03 0.94 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.327 -0.851 . . . . 53.04 109.117 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.04 79.53 1.8 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.419 0.688 . . . . 71.55 111.667 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.561 1.397 0 O-C-N 121.818 -0.551 . . . . 61.12 111.295 168.739 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.839 0.352 . . . . 51.01 111.193 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -63.73 -32.5 74.01 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 115.804 -0.635 . . . . 42.33 110.445 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' HG13 ' A' ' 8' ' ' ILE . 36.4 m -81.0 -33.81 33.41 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.884 -0.598 . . . . 71.31 111.855 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.91 -42.02 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 118.933 0.788 . . . . 74.24 110.19 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.96 -34.26 75.05 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.6 0.36 . . . . 63.53 110.506 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 4' ' ' THR . 46.0 t80 -53.34 -53.63 48.32 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.171 0.989 . . . . 72.11 110.818 170.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.501 HG12 HG23 ' A' ' 60' ' ' ILE . 92.3 mt -54.2 -57.72 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 124.025 0.93 . . . . 75.14 110.72 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.515 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 74.8 m-20 -58.82 -47.41 84.89 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.916 -1.493 . . . . 71.4 111.515 -172.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.2 mtm180 -72.49 -35.03 68.07 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 118.626 -0.702 . . . . 74.12 111.949 -175.005 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -65.87 -36.32 83.11 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 118.676 0.671 . . . . 55.51 110.839 173.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -58.66 -44.87 90.29 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 123.798 0.687 . . . . 74.25 109.717 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 21.3 mmt180 -63.97 -42.15 97.35 Favored 'General case' 0 C--N 1.358 0.974 0 O-C-N 123.465 0.478 . . . . 75.12 110.384 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 10' ' ' ARG . 95.9 mt -60.52 -43.7 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 123.876 0.87 . . . . 71.44 110.737 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.78 77.2 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.697 0.399 . . . . 71.43 111.715 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.82 -35.11 78.04 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.919 0.488 . . . . 73.42 111.165 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 79.6 mt -72.61 -49.17 33.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.548 0.739 . . . . 61.02 110.522 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.8 p -56.27 -40.14 73.77 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.971 0.794 . . . . 74.21 110.487 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -64.82 -47.16 79.03 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.235 0.96 . . . . 73.32 111.264 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.2 m -58.67 -56.98 15.17 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.377 0.671 . . . . 52.13 111.065 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.726 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -74.44 -19.41 60.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.009 0.524 . . . . 61.01 112.068 -174.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.3 -47.89 82.29 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.316 -0.624 . . . . 71.12 109.316 170.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.91 -42.56 98.3 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 114.548 -1.206 . . . . 73.2 110.464 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 20' ' ' SER . 55.9 mt -68.86 -32.1 71.53 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.85 0.86 . . . . 61.01 111.446 -178.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -72.48 -48.51 40.17 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.779 0.832 . . . . 43.11 111.06 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -70.79 -26.99 63.58 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.682 0.393 . . . . 72.42 111.048 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -79.14 -21.17 46.91 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.923 0.889 . . . . 63.12 112.027 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.05 6.41 71.8 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 119.975 -0.347 . . . . 54.01 113.705 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -79.55 80.24 5.95 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.206 -0.664 . . . . 73.54 109.206 172.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.44 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 42.3 m95 -68.35 -38.81 81.81 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 114.81 -1.087 . . . . 62.43 111.512 -175.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.37 -38.01 70.85 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.671 0.788 . . . . 51.54 111.206 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.4 mt -80.61 -32.91 36.21 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.401 -0.818 . . . . 45.21 110.995 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' A' ' 21' ' ' LEU . 42.9 tp -60.35 -37.95 82.31 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.553 0.741 . . . . 74.54 110.291 171.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 443' ' ' LEU . 87.2 mt -78.03 -32.34 50.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.639 1.175 . . . . 72.32 110.886 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.4 -44.05 96.08 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.441 -0.799 . . . . 63.55 109.587 173.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -89.07 -10.41 47.53 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.492 -0.777 . . . . 75.04 112.514 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -57.56 -55.78 30.36 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.129 0.572 . . . . 75.43 110.15 173.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.2 m -61.46 -41.39 89.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.831 -1.077 . . . . 51.22 111.576 -174.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 p -72.38 -43.5 63.89 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.721 0.809 . . . . 74.25 111.075 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.05 -56.21 14.37 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.417 1.087 . . . . 73.13 111.722 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.11 -37.53 87.8 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.41 -0.814 . . . . 74.11 110.46 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -55.15 -46.45 75.72 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 123.773 0.671 . . . . 63.13 111.558 172.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.3 m -61.28 -42.13 98.12 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 123.341 0.657 . . . . 72.33 111.413 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.408 HG23 HD21 ' A' ' 457' ' ' LEU . 56.9 mt -66.9 -41.22 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 116.019 -0.537 . . . . 61.44 110.323 177.493 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.67 -32.13 72.59 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.389 0.675 . . . . 55.33 111.516 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -84.75 -27.77 26.7 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 111.965 0.357 . . . . 72.32 111.965 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' HG2' ' A' ' 48' ' ' MET . 35.5 m -75.92 -32.85 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 121.75 -0.594 . . . . 75.25 110.386 170.334 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.478 ' HG2' HG23 ' A' ' 47' ' ' VAL . 17.2 mmt -98.75 0.02 43.62 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.547 0.944 . . . . 74.33 113.547 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.27 -31.15 63.91 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.692 -0.855 . . . . 74.32 108.692 166.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -35.73 16.07 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 114.262 -1.335 . . . . 71.34 108.621 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 69.84 59.13 0.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.115 1.366 . . . . 72.24 110.812 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.2 m 64.8 114.07 0.02 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.789 1.236 . . . . 70.31 112.944 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -67.45 129.28 19.84 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.627 2.218 . . . . 73.42 111.761 170.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.16 99.33 1.25 Allowed 'Trans proline' 0 C--N 1.37 1.7 0 C-N-CA 122.805 2.337 . . . . 64.11 109.967 171.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.84 42.28 0.02 OUTLIER Glycine 0 C--N 1.336 0.558 0 N-CA-C 110.2 -1.16 . . . . 74.41 110.2 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -110.59 116.08 51.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.179 0.992 . . . . 75.12 108.534 -173.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 t -76.07 175.95 8.44 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 117.807 0.276 . . . . 74.33 110.622 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 59' ' ' SER . 5.2 ppt_? -65.98 -30.02 70.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.596 0.758 . . . . 73.34 111.952 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 35.2 t -73.81 -44.02 57.09 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.198 0.599 . . . . 53.52 110.696 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.501 HG23 HG12 ' A' ' 8' ' ' ILE . 95.5 mt -72.62 -41.54 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.576 0.75 . . . . 72.24 110.266 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' HG3' ' HG2' ' A' ' 464' ' ' MET . 35.7 tt0 -60.98 -37.08 81.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.223 1.009 . . . . 73.43 110.46 176.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.05 -51.19 65.3 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.714 0.806 . . . . 75.44 110.159 175.494 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 59' ' ' SER . 55.5 mtm -58.8 -57.06 14.71 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.289 0.636 . . . . 64.41 111.0 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.4 m -68.25 -27.06 35.58 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.017 0 CA-C-N 115.876 -0.602 . . . . 71.41 111.976 -175.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.32 90.66 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 118.287 0.494 . . . . 71.32 109.775 171.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -64.17 -45.31 94.02 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 115.731 -0.668 . . . . 63.22 112.201 172.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -65.24 -37.31 86.84 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.458 0.703 . . . . 72.3 112.128 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 64' ' ' VAL . 83.4 mt -72.28 -41.07 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.708 -0.849 . . . . 71.12 108.708 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -58.32 -41.35 84.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.338 0.655 . . . . 71.12 111.037 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 75.1 mt-30 -63.0 -53.19 57.89 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.578 -0.737 . . . . 75.43 109.917 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -28.15 68.15 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 114.947 -1.024 . . . . 64.13 111.069 -171.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.42 -48.54 55.56 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.628 0.771 . . . . 74.12 110.665 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 18.4 t70 -55.52 -54.22 46.67 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 124.162 0.914 . . . . 70.31 110.262 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.459 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -64.24 -42.3 96.59 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.838 -1.074 . . . . 44.2 111.172 -174.574 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.622 ' HA ' HD12 ' A' ' 78' ' ' LEU . 37.5 tt0 -74.81 -26.32 59.65 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.979 0.912 . . . . 74.21 111.516 -177.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -71.6 -39.27 70.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.311 0.644 . . . . 73.11 109.749 171.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 89.1 mt -67.11 -33.64 75.89 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.866 -0.606 . . . . 72.52 110.187 176.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 75' ' ' GLU . 87.6 mt -63.54 -44.71 93.42 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.221 0.608 . . . . 72.05 110.122 172.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -53.81 -54.71 34.52 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.396 0.678 . . . . 74.51 110.575 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -49.05 52.42 Favored Glycine 0 C--N 1.351 1.365 0 O-C-N 123.77 0.669 . . . . 73.41 113.669 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.43 -54.52 35.34 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.994 0.918 . . . . 70.31 109.931 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 HD23 ' A' ' 443' ' ' LEU . 76.8 mt -67.72 -25.2 65.53 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.016 0.526 . . . . 34.04 111.328 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -64.39 -43.34 94.74 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.282 0.492 . . . . 61.14 110.829 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.35 -49.07 79.24 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.878 0.736 . . . . 75.22 109.54 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 1.2 mmp_? -57.7 -50.76 72.12 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.255 0.972 . . . . 73.31 111.734 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 443' ' ' LEU . 95.9 mt -71.87 -25.19 61.84 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.896 0.878 . . . . 74.14 112.263 -176.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.1 -37.8 72.39 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.454 -0.572 . . . . 71.24 109.454 174.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 34.8 mt-10 -69.6 -47.39 63.68 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.864 0.866 . . . . 75.21 110.403 175.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.558 HD12 HD23 ' A' ' 86' ' ' LEU . 96.0 mt -62.13 -44.12 97.34 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.786 0.834 . . . . 73.2 110.462 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.1 t -69.14 -32.82 72.45 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.129 0.572 . . . . 64.02 111.308 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.1 t -64.41 -38.02 89.58 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.336 0.654 . . . . 62.51 110.124 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 93.5 mt -69.76 -48.67 58.48 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.528 -0.76 . . . . 52.42 110.037 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 89' ' ' LEU . 95.8 mt -60.44 -40.73 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 124.522 1.129 . . . . 74.53 110.976 -177.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.55 -25.53 63.31 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.191 -0.459 . . . . 31.01 113.622 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -93.34 -50.73 5.32 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.646 0.778 . . . . 72.0 110.741 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.576 HG23 HG22 ' A' ' 433' ' ' VAL . 22.4 m -79.89 -26.71 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.491 0.716 . . . . 73.2 112.404 -167.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 107.265 -1.383 . . . . 70.22 107.265 173.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 110.075 -0.343 . . . . 51.31 110.075 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.73 -42.98 90.06 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 123.812 0.845 . . . . 64.02 111.016 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.6 mt-10 -64.79 -56.85 11.02 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 123.966 0.791 . . . . 73.51 111.014 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 14.1 t -63.05 -40.87 98.99 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 123.447 0.467 . . . . 75.11 111.968 -174.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 433' ' ' VAL . . . . . 0.576 HG22 HG23 ' A' ' 96' ' ' VAL . 82.6 t -67.43 -37.13 78.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 122.83 0.452 . . . . 54.03 110.177 177.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.96 82.18 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.197 0.599 . . . . 61.22 111.376 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 23.1 mmt180 -68.32 -47.47 67.44 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 109.723 -0.473 . . . . 73.12 109.723 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -63.58 -37.41 87.22 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.68 0.392 . . . . 73.32 111.246 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -71.54 -33.98 69.61 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.217 1.007 . . . . 75.15 110.296 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.1 -55.97 15.67 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 109.639 -0.504 . . . . 51.13 109.639 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 21.1 mm-40 -61.83 -35.21 77.58 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.693 -0.685 . . . . 75.3 110.681 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.92 -63.93 0.99 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 115.999 -0.546 . . . . 64.33 110.192 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 35.0 m -60.48 -40.38 91.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.755 0.822 . . . . 74.31 112.166 -172.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -68.42 -50.93 49.16 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.573 0.749 . . . . 72.1 111.312 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.628 ' HB2' HD21 ' A' ' 86' ' ' LEU . 8.6 mp -72.18 -20.51 61.58 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 121.997 0.119 . . . . 50.54 111.005 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -78.12 -44.4 26.2 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.945 0.898 . . . . 64.22 111.033 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 t -72.19 -33.02 67.32 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.509 -0.552 . . . . 73.23 109.509 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.627 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.1 ttt -61.01 -43.86 98.27 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.937 0.773 . . . . 72.13 109.356 171.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.552 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 46.7 ttm -65.05 -47.41 77.43 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.087 0.867 . . . . 75.0 111.684 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 18.7 m -59.0 -41.43 87.68 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.225 0.536 . . . . 62.05 110.545 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 449' ' ' LYS . . . . . 0.41 ' O ' HG23 ' A' ' 453' ' ' THR . 58.1 mtpt -69.05 -49.46 57.25 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.9 -1.045 . . . . 71.33 110.661 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.627 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.2 pp -72.36 -19.44 61.63 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.758 0.313 . . . . 74.11 111.623 -173.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -76.19 -48.5 20.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.862 0.865 . . . . 72.21 109.226 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -64.32 -38.32 90.62 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 115.232 -0.895 . . . . 61.0 110.504 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 54.2 p -65.85 -60.62 2.69 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 118.386 -0.816 . . . . 73.43 109.418 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.7 p -52.36 -30.3 28.13 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.521 0.728 . . . . 75.14 112.144 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 458' ' ' THR . 44.0 t -58.71 -66.83 0.43 Allowed 'General case' 0 CA--C 1.551 1.019 0 O-C-N 123.8 0.687 . . . . 63.23 110.627 171.392 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -71.48 -20.42 62.08 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.944 0.72 . . . . 74.41 112.944 -176.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.408 HD21 HG23 ' A' ' 44' ' ' ILE . 69.3 mt -73.25 -41.37 63.77 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.72 0.808 . . . . 62.14 110.368 178.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 455' ' ' SER . 6.7 t -72.84 -33.54 66.22 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.129 0.268 . . . . 72.14 110.518 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -65.02 -43.63 91.81 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.171 -0.468 . . . . 75.5 109.92 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -70.2 -31.32 68.71 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.324 -0.853 . . . . 72.52 110.754 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.81 -56.58 14.39 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.164 0.585 . . . . 72.2 109.717 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 25.1 m -63.92 -32.74 74.37 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 123.864 0.728 . . . . 71.11 111.756 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.47 -51.45 20.1 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.027 0.442 . . . . 64.34 111.095 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 464' ' ' MET . . . . . 0.434 ' HG2' ' HG3' ' A' ' 61' ' ' GLN . 50.5 ttm -64.74 -34.64 78.82 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.388 -0.824 . . . . 74.13 110.559 -177.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -75.97 -67.9 0.63 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.721 -0.844 . . . . 64.31 108.721 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 466' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 466' ' ' LYS . 0.0 OUTLIER -122.79 80.5 1.76 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.407 0.683 . . . . 75.41 111.209 177.83 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 CA--C 1.566 1.574 0 C-N-CA 124.107 0.963 . . . . 75.51 112.268 163.3 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.74 0.305 . . . . 74.4 111.63 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -62.39 -41.07 98.38 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.043 0.937 . . . . 62.45 111.229 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.422 ' O ' HG13 ' A' ' 8' ' ' ILE . 62.2 m -75.18 -38.69 60.75 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.137 -0.938 . . . . 53.51 112.076 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.89 -40.5 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 118.459 0.572 . . . . 75.22 110.562 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.15 -36.27 79.4 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 110.144 -0.317 . . . . 75.53 110.144 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' ' 64' ' ' VAL . 50.3 t80 -54.28 -52.23 62.1 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.713 0.805 . . . . 72.13 110.501 170.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 4' ' ' THR . 97.4 mt -61.44 -56.99 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.004 0.922 . . . . 71.13 111.619 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.492 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 50.5 m-80 -59.44 -42.47 92.0 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.824 0.703 . . . . 73.21 112.115 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 14' ' ' ILE . 86.4 mtm180 -75.71 -37.97 59.0 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 118.663 -0.685 . . . . 72.24 111.715 -175.325 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 53.3 m95 -63.97 -36.92 85.56 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 118.763 0.71 . . . . 72.5 110.827 172.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.6 tt0 -59.28 -46.23 89.11 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 114.804 -1.089 . . . . 72.41 109.038 174.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 82.2 mmt-85 -59.21 -50.74 72.84 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 123.682 0.614 . . . . 63.34 110.275 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.7 mt -53.31 -44.3 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 124.192 0.997 . . . . 65.42 111.73 -175.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.14 -43.87 55.84 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.785 0.661 . . . . 72.11 112.785 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 89.6 mt -65.15 -38.63 91.21 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.083 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 95.7 mt -75.1 -42.53 56.39 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.823 0.849 . . . . 72.55 110.341 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.491 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.8 p -58.8 -41.48 86.87 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.627 0.579 . . . . 63.02 110.587 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -64.98 -46.49 81.25 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.157 -0.929 . . . . 73.35 110.552 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -54.6 -59.87 4.12 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.839 0.712 . . . . 73.43 111.437 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.584 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -72.32 -23.32 61.14 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 115.684 -0.689 . . . . 74.02 112.207 -173.304 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HA ' HD21 ' A' ' 78' ' ' LEU . 57.1 tp -59.64 -53.49 57.47 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 109.418 -0.586 . . . . 74.32 109.418 171.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.57 -38.04 88.41 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.121 -0.945 . . . . 74.41 111.011 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.495 HD13 ' HB3' ' A' ' 32' ' ' LEU . 86.1 mt -59.91 -41.96 92.84 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.602 0.761 . . . . 74.34 110.694 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -63.15 -45.95 89.48 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.584 0.754 . . . . 72.15 111.07 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -65.35 -28.25 69.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.719 0.808 . . . . 65.15 111.485 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -79.95 -24.04 41.26 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.088 0.955 . . . . 71.52 111.047 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.24 0.09 50.78 Favored Glycine 0 C--N 1.349 1.252 0 O-C-N 123.487 0.492 . . . . 54.04 112.994 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.82 79.11 3.41 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.509 0.724 . . . . 74.11 109.866 172.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -71.79 -30.84 65.97 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 115.16 -0.927 . . . . 72.52 110.322 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.22 -41.18 81.65 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.152 0.581 . . . . 71.23 110.074 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB3' HD13 ' A' ' 24' ' ' LEU . 64.2 mt -74.57 -31.76 62.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.176 0.59 . . . . 51.03 111.313 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD12 ' HB2' ' A' ' 21' ' ' LEU . 27.9 tp -56.25 -45.54 79.98 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.6 0.76 . . . . 74.31 110.25 168.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 HD12 ' A' ' 443' ' ' LEU . 77.7 mt -80.46 -21.24 42.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.43 1.092 . . . . 71.33 112.237 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -72.46 -37.36 68.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.26 -0.644 . . . . 74.2 109.26 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -88.55 -13.94 38.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.322 -0.853 . . . . 63.14 112.128 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.34 -57.02 10.03 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.077 0.951 . . . . 73.15 110.777 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 m -57.72 -44.41 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 114.672 -1.149 . . . . 72.22 111.115 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -61.64 -48.15 82.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.965 0.906 . . . . 72.3 111.243 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.6 t80 -67.69 -61.54 1.84 Allowed 'General case' 0 C--O 1.244 0.774 0 C-N-CA 125.488 1.515 . . . . 73.11 111.475 -171.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.43 -42.24 95.66 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 124.047 0.842 . . . . 74.44 111.006 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -55.97 -47.24 78.01 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.673 0.608 . . . . 53.52 111.484 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -59.08 -42.23 89.91 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 123.882 0.738 . . . . 72.44 111.81 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.546 HG23 HD21 ' A' ' 457' ' ' LEU . 64.0 mt -63.65 -46.63 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-O 121.372 0.606 . . . . 72.31 110.568 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.65 -43.13 97.97 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.038 -0.983 . . . . 62.41 111.602 -177.267 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -77.34 -36.62 53.67 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 112.056 0.391 . . . . 71.01 112.056 -174.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.07 -33.17 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 CA-C-N 118.169 0.44 . . . . 63.14 111.298 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.599 ' HE2' HD23 ' A' ' 457' ' ' LEU . 20.1 mmt -85.34 -29.37 24.55 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.375 0.509 . . . . 75.14 112.375 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.33 -34.24 76.92 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.42 0.629 . . . . 64.31 110.07 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -35.54 25.68 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.054 -0.975 . . . . 62.44 108.577 173.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 73.66 149.23 0.1 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.497 1.519 . . . . 72.42 111.052 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.5 m -48.84 116.82 5.68 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 124.959 1.304 . . . . 71.33 111.775 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HG2' HD11 ' A' ' 56' ' ' ILE . 40.2 Cg_endo -65.71 149.1 87.35 Favored 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.472 2.115 . . . . 70.12 111.432 174.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 19.5 Cg_exo -67.36 -20.89 48.06 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.811 2.34 . . . . 75.24 113.01 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.01 59.79 4.91 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 116.433 -0.349 . . . . 44.32 112.891 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.423 HD11 ' HG2' ' A' ' 53' ' ' PRO . 50.9 mm -119.66 113.64 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 N-CA-C 107.969 -1.122 . . . . 64.11 107.969 174.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 t -75.02 173.89 10.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.977 0.511 . . . . 74.42 110.271 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 59' ' ' SER . 1.2 ppt_? -66.85 -23.99 66.09 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.437 0.695 . . . . 72.15 111.731 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 37.2 t -70.04 -55.49 9.4 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.153 0.581 . . . . 64.3 110.291 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.1 -35.64 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.38 1.072 . . . . 52.34 110.955 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.76 -42.07 98.51 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.317 1.047 . . . . 65.14 110.754 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.62 -45.98 81.03 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.204 0.602 . . . . 73.3 110.848 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.2 mtp -52.55 -58.25 7.36 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.676 1.19 . . . . 70.44 110.892 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.9 m -74.31 -22.25 17.86 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-N 115.347 -0.842 . . . . 62.35 112.257 -178.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.56 -38.7 91.07 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 118.392 0.542 . . . . 71.12 109.555 170.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.53 -41.74 89.72 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.498 -0.774 . . . . 71.04 111.845 173.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -65.73 -40.91 92.63 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.123 0.569 . . . . 73.33 112.522 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 64' ' ' VAL . 54.5 mt -74.62 -36.13 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 109.417 -0.586 . . . . 45.23 109.417 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.47 -43.18 99.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.682 0.393 . . . . 72.51 110.933 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -61.21 -50.41 73.2 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.807 -0.633 . . . . 71.33 110.435 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 68' ' ' ILE . 4.3 t -67.37 -33.97 76.32 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 123.721 0.638 . . . . 75.13 111.226 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.92 -42.86 89.61 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.214 0.606 . . . . 72.31 111.206 175.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.77 -58.28 9.23 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.081 0.863 . . . . 70.24 110.297 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -61.58 -43.29 99.14 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.896 -1.047 . . . . 62.13 111.518 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.566 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.5 tt0 -73.32 -26.09 60.9 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.063 0.945 . . . . 62.52 111.867 -176.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -73.26 -39.04 65.72 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.227 0.611 . . . . 73.23 110.376 173.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.64 -33.95 74.9 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.7 -0.682 . . . . 75.23 110.181 176.076 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 75' ' ' GLU . 91.3 mt -65.15 -42.31 93.89 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.51 0.724 . . . . 45.35 110.177 171.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -53.98 -53.69 49.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.308 0.643 . . . . 75.0 110.179 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.44 -51.46 52.15 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.819 0.699 . . . . 72.25 113.502 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.78 -56.29 21.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.99 0.916 . . . . 74.34 110.832 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.403 HD22 HD23 ' A' ' 443' ' ' LEU . 74.7 mt -63.45 -30.89 71.94 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.711 -0.677 . . . . 72.0 111.131 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -64.74 -39.9 94.41 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 118.142 0.428 . . . . 74.21 110.973 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -60.47 -47.75 84.78 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.709 0.63 . . . . 72.54 109.939 175.362 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.33 -47.47 85.78 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 115.115 -0.948 . . . . 74.35 111.827 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.58 -32.07 73.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.565 0.746 . . . . 74.25 111.329 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -68.31 -48.8 63.97 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.285 0.634 . . . . 51.5 110.44 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 42.2 mt-10 -63.06 -49.43 74.55 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.5 -0.773 . . . . 54.43 110.645 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 93' ' ' ILE . 94.1 mt -61.23 -43.52 98.75 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.738 0.815 . . . . 61.42 111.017 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.3 t -67.3 -33.32 75.04 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.332 0.653 . . . . 75.25 111.733 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 26.9 t -68.0 -38.3 82.48 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.685 -0.487 . . . . 64.23 109.685 177.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.8 mt -67.59 -42.57 82.27 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.538 -0.756 . . . . 61.53 110.596 176.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 89' ' ' LEU . 92.6 mt -60.19 -38.94 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 123.886 0.874 . . . . 73.31 110.156 175.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.02 -30.19 74.81 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.653 -0.703 . . . . 64.43 113.31 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 91' ' ' SER . 12.5 mm100 -88.47 -43.69 11.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.274 0.63 . . . . 75.31 111.403 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.561 HG23 HG22 ' A' ' 433' ' ' VAL . 23.3 m -87.78 -33.99 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 112.521 0.563 . . . . 71.04 112.521 -167.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 108.328 -0.99 . . . . 70.34 108.328 -178.521 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 N-CA-C 109.983 -0.377 . . . . 70.21 109.983 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.35 -47.59 69.25 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.177 0.991 . . . . 62.15 111.17 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 36.1 mt-10 -70.31 -47.11 62.64 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.255 -0.884 . . . . 73.41 111.533 -173.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.6 t -66.19 -39.86 89.99 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 117.783 0.265 . . . . 74.25 111.383 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 433' ' ' VAL . . . . . 0.561 HG22 HG23 ' A' ' 96' ' ' VAL . 66.7 t -61.8 -40.36 86.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 N-CA-C 109.767 -0.457 . . . . 73.11 109.767 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.65 -30.9 71.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.434 0.694 . . . . 71.51 111.93 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 64.1 mmt-85 -68.59 -50.18 53.6 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.821 0.448 . . . . 61.41 109.902 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -66.86 -35.82 80.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.163 -0.926 . . . . 71.43 110.894 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -70.77 -40.24 72.74 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.825 0.85 . . . . 75.11 110.38 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.1 -58.16 8.19 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.42 0.45 . . . . 64.02 110.324 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -59.31 -36.15 75.09 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.221 0.608 . . . . 74.31 111.792 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -64.94 -63.88 1.0 Allowed 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.927 -0.397 . . . . 63.33 109.927 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 31.5 m -55.73 -40.33 72.33 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.205 1.002 . . . . 63.12 112.223 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.83 -53.03 30.1 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.668 0.787 . . . . 71.04 111.69 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 34' ' ' LEU . 8.8 mp -73.52 -19.8 60.82 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.606 0.362 . . . . 71.31 111.354 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -81.0 -44.69 17.71 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.077 0.951 . . . . 75.41 110.735 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.1 t -70.24 -31.67 69.18 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.654 -0.499 . . . . 72.45 109.654 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.586 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.7 ttt -62.63 -41.93 99.31 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 115.771 -0.65 . . . . 72.23 109.378 172.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.632 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 28.6 ttm -66.14 -45.78 79.8 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 124.036 0.835 . . . . 75.13 112.422 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 32.8 p -61.4 -43.56 98.66 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 121.152 0.501 . . . . 71.04 110.622 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -67.93 -44.2 77.39 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 115.319 -0.855 . . . . 74.43 111.539 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.632 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 2.4 pp -73.38 -18.65 61.14 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 117.776 0.262 . . . . 52.31 111.161 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -76.19 -47.71 23.09 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.01 0.524 . . . . 72.32 109.815 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -65.01 -36.99 86.18 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.749 -0.659 . . . . 72.15 110.888 177.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 48.2 p -64.59 -61.85 1.95 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.673 -0.679 . . . . 73.41 109.371 177.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 61.6 p -50.57 -32.33 18.32 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.683 0.793 . . . . 75.5 112.697 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.3 t -59.95 -62.95 1.49 Allowed 'General case' 0 CA--C 1.546 0.826 0 O-C-N 123.749 0.655 . . . . 54.33 110.869 174.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 456' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 0.9 OUTLIER -71.74 -19.72 62.0 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.664 0.616 . . . . 75.21 112.664 -178.573 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.599 HD23 ' HE2' ' A' ' 48' ' ' MET . 81.6 mt -71.11 -42.23 69.54 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.382 0.673 . . . . 61.13 110.851 176.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.6 t -75.77 -32.73 60.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.209 0.204 . . . . 72.11 110.881 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.3 -52.3 65.87 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 121.217 0.532 . . . . 72.33 109.622 171.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 460' ' ' GLN . . . . . 0.415 HE21 ' HB2' ' A' ' 464' ' ' MET . 24.9 tp60 -61.19 -41.39 96.73 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 114.615 -1.175 . . . . 75.24 111.403 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.88 -48.74 77.69 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.583 0.353 . . . . 74.53 110.678 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 87.2 m -61.51 -37.59 84.27 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 123.853 0.721 . . . . 62.3 111.833 -177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.98 -46.15 24.97 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 120.997 0.427 . . . . 72.13 112.041 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 464' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.0 ttm -63.91 -34.09 77.17 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.732 0.813 . . . . 71.55 110.869 -177.281 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -81.51 -62.7 1.57 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.346 -0.843 . . . . 60.01 109.623 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 80.96 1.84 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.379 0.609 . . . . 74.01 111.579 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.562 1.418 0 C-N-CA 123.108 0.563 . . . . 54.31 110.54 163.372 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 112.824 0.676 . . . . 73.43 112.824 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m -67.63 -26.57 66.3 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.907 -0.588 . . . . 62.23 111.078 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 8' ' ' ILE . 58.7 m -78.13 -39.14 42.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.426 0.69 . . . . 75.42 111.663 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.5 p -71.4 -40.03 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 118.243 0.474 . . . . 61.41 110.683 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.07 -37.6 84.28 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 110.575 -0.157 . . . . 72.34 110.575 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.437 ' HB3' ' O ' ' A' ' 4' ' ' THR . 33.6 t80 -50.02 -53.4 27.03 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 123.759 0.823 . . . . 75.43 110.884 168.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.49 HG12 HG23 ' A' ' 60' ' ' ILE . 94.2 mt -57.2 -62.05 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 C-N-CA 124.069 0.948 . . . . 75.43 111.911 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 55.0 m-80 -61.57 -38.11 86.31 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.355 -0.839 . . . . 71.23 112.137 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' HG13 ' A' ' 14' ' ' ILE . 54.1 mtm180 -72.29 -37.55 68.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 118.654 -0.688 . . . . 74.01 111.058 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -61.93 -39.62 92.7 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 118.5 0.591 . . . . 71.34 111.173 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -55.64 -49.12 73.73 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 123.856 0.722 . . . . 74.45 110.377 172.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 56.6 mmt-85 -62.1 -38.94 90.78 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.83 -0.623 . . . . 72.1 111.318 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 10' ' ' ARG . 88.8 mt -61.15 -45.62 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.687 0.795 . . . . 70.2 110.88 -177.331 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.51 76.5 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.066 0.395 . . . . 71.51 112.066 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.14 -48.92 77.98 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.297 0.639 . . . . 72.13 111.098 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.6 mt -66.79 -45.79 77.34 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.275 -0.875 . . . . 74.21 110.533 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.495 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 52.6 p -58.4 -43.68 88.66 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.036 0.835 . . . . 63.51 111.591 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -64.73 -45.51 86.18 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.823 0.702 . . . . 74.02 110.991 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.425 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 60.7 m -60.89 -51.66 68.35 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.417 -0.81 . . . . 74.52 111.292 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.671 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.494 0.317 . . . . 62.21 111.701 -176.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.88 -46.0 91.31 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.257 0.551 . . . . 73.21 109.712 171.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.2 -40.09 94.92 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.616 -1.174 . . . . 73.22 110.6 175.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 32' ' ' LEU . 59.2 mt -69.02 -28.58 66.7 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.297 0.639 . . . . 72.44 111.647 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -71.39 -46.44 60.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.362 0.665 . . . . 63.35 110.99 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -74.44 -22.74 58.98 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 122.773 0.429 . . . . 71.23 111.126 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -74.9 -14.71 60.69 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.836 0.854 . . . . 72.1 111.629 172.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.05 9.06 87.22 Favored Glycine 0 C--N 1.351 1.382 0 O-C-N 123.301 0.376 . . . . 74.33 112.779 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -86.07 79.8 9.04 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.172 0.989 . . . . 52.24 109.052 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -71.62 -32.94 68.52 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.29 -0.868 . . . . 74.41 112.21 -172.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -64.09 -43.7 94.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.195 0.521 . . . . 73.53 110.159 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HB3' HD13 ' A' ' 24' ' ' LEU . 88.3 mt -71.06 -38.77 72.5 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.977 -1.01 . . . . 62.24 110.478 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 21' ' ' LEU . 43.0 tp -54.29 -49.35 69.83 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.278 1.031 . . . . 74.22 110.828 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.513 HD21 HD12 ' A' ' 443' ' ' LEU . 81.4 mt -76.5 -23.85 53.73 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.091 -0.959 . . . . 72.03 111.94 -176.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -69.74 -37.45 76.46 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.906 -0.405 . . . . 71.25 109.906 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 76.6 mm-40 -82.82 -27.57 30.8 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.129 -0.487 . . . . 51.13 110.971 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 30.0 tt0 -45.27 -57.16 4.18 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 125.491 1.517 . . . . 50.32 112.186 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.28 -44.94 93.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 124.143 0.902 . . . . 64.12 111.601 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -62.82 -43.27 99.24 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.46 0.704 . . . . 74.01 110.629 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.495 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 25.2 t80 -64.92 -64.12 0.94 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.946 1.298 . . . . 65.02 112.169 -174.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.71 -38.52 88.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.806 0.843 . . . . 70.24 111.428 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -64.4 -38.53 91.35 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.123 0.265 . . . . 73.45 110.787 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.455 ' HA ' HG22 ' A' ' 46' ' ' THR . 69.4 m -64.16 -40.56 96.4 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.007 0.523 . . . . 25.13 111.976 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.629 HG23 HD21 ' A' ' 457' ' ' LEU . 84.4 mt -59.31 -50.01 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-O 121.964 0.888 . . . . 63.32 110.102 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.6 -29.26 63.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.285 -0.87 . . . . 75.15 111.238 -175.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 43' ' ' SER . 2.3 t -77.1 -30.84 55.52 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 117.653 0.206 . . . . 65.42 111.497 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.7 m -72.84 -31.7 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 109.644 -0.502 . . . . 73.44 109.644 170.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.0 mmt -79.95 -7.58 58.86 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.044 0.757 . . . . 74.42 113.044 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.6 -30.17 70.86 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 120.901 0.382 . . . . 74.32 110.46 167.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -87.95 -7.32 57.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.626 0.771 . . . . 64.12 111.539 175.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 59.7 30.21 19.79 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.951 0.9 . . . . 62.13 111.372 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.6 m 62.34 100.24 0.04 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.597 1.159 . . . . 70.31 110.451 -173.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.49 ' O ' HG12 ' A' ' 56' ' ' ILE . 32.5 Cg_exo -58.02 122.12 11.17 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 122.928 2.419 . . . . 73.24 111.325 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 36.8 Cg_exo -62.48 -10.04 17.69 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.86 2.374 . . . . 74.52 114.634 -175.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.89 61.17 4.34 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 112.665 -0.174 . . . . 70.02 112.665 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 53' ' ' PRO . 42.0 mm -120.69 114.37 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.417 1.087 . . . . 73.33 108.344 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 t -75.2 166.08 24.19 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.641 -0.503 . . . . 73.53 109.641 173.341 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HA ' ' HB3' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -67.31 -20.82 65.67 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.462 0.541 . . . . 74.43 112.462 -173.204 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 63' ' ' MET . 38.4 t -69.51 -52.41 26.68 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.036 0.534 . . . . 72.31 110.141 176.118 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.49 HG23 HG12 ' A' ' 8' ' ' ILE . 96.7 mt -66.01 -43.3 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.108 0.963 . . . . 61.51 110.069 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 58' ' ' ARG . 32.3 tt0 -49.36 -48.34 46.83 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.753 1.621 . . . . 74.41 111.428 174.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.01 -39.01 72.65 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 123.721 0.638 . . . . 74.52 111.75 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 59' ' ' SER . 43.2 mtm -60.51 -61.82 2.31 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.439 0.637 . . . . 70.15 110.377 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.9 m -62.18 -32.57 55.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-N 114.619 -1.173 . . . . 71.14 112.24 -176.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.73 75.71 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 123.1 0.25 . . . . 73.41 110.55 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.34 -40.87 99.22 Favored Glycine 0 C--N 1.354 1.549 0 N-CA-C 111.748 -0.541 . . . . 75.04 111.748 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.468 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 45.7 m-85 -68.73 -36.68 78.72 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.675 0.62 . . . . 75.34 112.675 177.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 64' ' ' VAL . 59.2 mt -70.7 -38.78 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 108.996 -0.742 . . . . 72.31 108.996 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -46.16 84.82 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.732 0.813 . . . . 64.55 109.601 177.072 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.11 -42.4 93.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.374 -0.83 . . . . 72.34 111.802 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 68' ' ' ILE . 1.9 t -72.22 -32.85 67.12 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.065 0.228 . . . . 63.51 110.93 -175.275 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.83 -44.23 86.2 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.672 0.789 . . . . 61.3 110.393 176.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 12.5 t70 -54.97 -59.16 5.12 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.742 1.276 . . . . 72.45 110.52 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -62.66 -42.61 99.71 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.851 0.719 . . . . 53.31 111.586 -175.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.574 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.6 tt0 -73.05 -24.35 60.69 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.887 0.875 . . . . 63.41 112.088 -175.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -75.72 -34.73 60.35 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.433 0.635 . . . . 72.23 110.376 173.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 83.9 mt -73.42 -29.19 62.41 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.51 -0.768 . . . . 63.22 110.39 175.134 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -67.3 -43.13 82.47 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.209 0.603 . . . . 53.41 109.584 170.565 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -53.21 -52.36 59.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.56 0.744 . . . . 71.34 110.081 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.24 -52.44 36.16 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 123.535 0.522 . . . . 75.11 113.693 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.94 -50.65 65.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.751 0.82 . . . . 65.15 110.382 -172.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.21 -26.94 64.11 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.013 -0.539 . . . . 73.41 111.146 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.76 -41.54 97.82 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 118.422 0.556 . . . . 64.42 110.36 173.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -58.72 -50.73 72.83 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.105 0.878 . . . . 73.23 109.584 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -57.86 -49.24 77.37 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.184 0.927 . . . . 45.21 111.467 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.05 -36.91 83.09 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.811 0.844 . . . . 72.24 112.007 -175.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.26 -41.7 89.54 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.042 0.537 . . . . 52.34 109.642 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 48.7 mt-10 -67.25 -49.02 66.0 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.936 -1.029 . . . . 73.11 110.773 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.93 -35.93 82.29 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.757 0.823 . . . . 74.4 111.323 -178.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -63.84 -44.08 94.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.308 0.643 . . . . 52.32 110.134 176.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 22.8 t -64.73 -39.83 94.3 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.698 -0.683 . . . . 22.43 110.909 177.019 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 80.8 mt -62.81 -55.57 25.17 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.408 0.683 . . . . 74.2 111.3 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.77 -34.65 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 124.039 0.837 . . . . 64.32 110.086 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.19 96.93 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 115.665 -0.698 . . . . 75.43 113.727 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 91' ' ' SER . 11.5 mm100 -79.88 -37.04 35.65 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.948 0.374 . . . . 73.45 111.548 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.33 -36.4 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 112.702 0.63 . . . . 75.53 112.702 -172.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 108.239 -1.022 . . . . 73.44 108.239 -178.755 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.285 -0.265 . . . . 73.11 110.285 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -55.42 -52.76 62.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.715 0.806 . . . . 73.24 111.07 171.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 38.0 mt-10 -66.85 -38.97 87.4 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.615 -1.175 . . . . 73.44 111.112 -173.355 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 6.1 t -70.76 -36.26 73.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 110.199 -0.297 . . . . 64.52 110.199 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.31 -44.52 94.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 C-N-CA 123.021 0.528 . . . . 70.41 109.993 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.82 -47.41 75.16 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.547 0.739 . . . . 75.3 111.701 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 21.2 mmt180 -76.48 -36.41 57.87 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.74 0.416 . . . . 75.21 110.96 -173.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -74.46 -26.13 59.84 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 119.215 -0.422 . . . . 71.21 110.914 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -73.98 -31.02 62.79 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.793 0.437 . . . . 41.21 109.868 171.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.15 69.68 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.033 -0.729 . . . . 60.14 109.033 172.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 25.1 mm-40 -65.78 -38.91 90.31 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.143 -0.48 . . . . 64.5 110.74 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -69.79 -64.37 0.9 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.707 0.403 . . . . 73.0 110.284 -177.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 36.1 m -57.91 -36.48 72.5 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.006 0.922 . . . . 64.43 112.466 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -71.53 -44.07 65.3 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.433 0.293 . . . . 72.32 111.787 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.513 HD12 HD21 ' A' ' 34' ' ' LEU . 10.6 mp -72.68 -19.7 61.37 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.359 0.263 . . . . 74.22 111.1 174.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -82.36 -45.78 14.44 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.275 1.03 . . . . 72.42 110.598 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.0 t -68.51 -31.25 70.37 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.359 -0.608 . . . . 73.14 109.359 175.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.624 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.6 ttt -62.19 -46.84 87.14 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 115.731 -0.668 . . . . 75.15 109.479 170.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.56 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 7.2 ttm -63.33 -44.61 94.42 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.143 0.902 . . . . 74.13 112.517 -176.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 34.2 p -64.27 -40.61 96.33 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.745 0.418 . . . . 73.14 110.423 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -70.6 -41.36 72.4 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.963 -0.562 . . . . 64.23 111.584 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.624 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -75.62 -21.57 57.64 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.15 0.432 . . . . 72.21 110.507 -175.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -71.48 -48.65 47.83 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 108.933 -0.765 . . . . 74.5 108.933 172.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -60.48 -47.99 83.72 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.57 1.169 . . . . 74.02 110.084 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 40.2 p -62.14 -62.01 2.07 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.243 -0.89 . . . . 63.01 109.781 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 85.0 p -51.02 -32.12 20.46 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.665 0.786 . . . . 71.4 112.873 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.8 t -62.11 -61.96 2.11 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.298 0.639 . . . . 73.14 110.755 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -73.18 -20.19 60.94 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.156 0.428 . . . . 72.34 112.156 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.629 HD21 HG23 ' A' ' 44' ' ' ILE . 39.4 mt -73.09 -42.02 63.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.488 0.715 . . . . 55.2 110.621 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.5 t -74.13 -32.98 63.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.194 0.309 . . . . 72.44 110.409 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.7 -46.68 74.78 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.776 0.43 . . . . 62.43 110.85 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.61 -32.47 73.81 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.517 0.727 . . . . 74.43 110.8 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -62.85 -54.9 31.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.415 0.686 . . . . 71.34 109.534 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 30.2 m -65.41 -34.34 78.08 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.105 0.878 . . . . 75.01 111.132 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -78.57 -54.6 5.96 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.712 0.405 . . . . 71.14 111.71 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 47.5 ttp -64.57 -31.49 72.73 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.167 0.187 . . . . 62.23 110.724 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -74.02 -71.52 0.32 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 109.392 -0.595 . . . . 71.45 109.392 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.47 77.71 1.6 Allowed 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 112.384 0.512 . . . . 75.42 112.384 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.483 1.202 0 O-C-N 121.542 -0.724 . . . . 74.32 109.192 166.77 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 113.414 0.894 . . . . 65.03 113.414 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -63.93 -37.21 86.56 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.625 0.77 . . . . 73.35 111.673 -175.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 20.8 m -78.2 -34.76 49.23 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.848 -0.615 . . . . 70.21 111.538 -176.415 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.44 -39.56 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.145 0.43 . . . . 52.21 110.533 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.61 -39.93 94.59 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 109.505 -0.554 . . . . 73.51 109.505 176.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 4' ' ' THR . 74.9 t80 -50.42 -54.24 23.43 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 124.182 0.993 . . . . 75.23 110.876 170.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 60' ' ' ILE . 96.5 mt -56.03 -61.28 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 124.512 1.125 . . . . 74.25 112.202 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 59.0 m-80 -65.94 -36.74 84.19 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.93 -0.577 . . . . 74.34 112.21 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.465 ' O ' HG13 ' A' ' 14' ' ' ILE . 49.9 mtm180 -73.34 -41.02 63.97 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 118.893 -0.575 . . . . 65.51 111.256 -177.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 58.3 m95 -60.77 -36.88 80.07 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 118.064 0.393 . . . . 73.13 110.85 173.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.1 tt0 -59.16 -44.3 92.13 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 115.608 -0.723 . . . . 71.55 109.929 174.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 49.6 mmt-85 -62.91 -43.47 98.71 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 123.485 0.49 . . . . 73.44 110.849 176.726 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.7 mt -58.01 -42.18 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 123.88 0.872 . . . . 73.21 110.92 -176.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.91 -44.13 66.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.016 0.527 . . . . 33.11 112.231 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 98.1 mt -64.35 -45.21 88.79 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.275 0.63 . . . . 71.22 110.855 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.8 mt -67.89 -48.08 67.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.075 0.95 . . . . 72.11 109.981 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.473 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 61.4 p -56.28 -42.85 78.14 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.795 0.684 . . . . 71.42 111.431 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.34 -48.81 80.14 Favored 'General case' 0 C--O 1.245 0.846 0 O-C-N 124.361 1.038 . . . . 74.32 111.194 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 69.1 m -59.95 -60.13 4.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.881 -1.054 . . . . 74.12 111.293 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.631 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.1 pp -68.71 -19.85 64.38 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.78 0.832 . . . . 61.52 112.103 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.61 -55.41 23.91 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.626 -0.509 . . . . 74.43 109.626 170.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.61 -24.63 66.35 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 124.171 0.92 . . . . 73.12 111.519 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 21' ' ' LEU . 84.8 mt -74.13 -44.92 51.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.674 0.79 . . . . 71.11 110.448 175.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -66.16 -35.91 81.71 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.406 0.682 . . . . 74.14 110.88 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -68.26 -39.15 82.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.872 1.269 . . . . 64.1 110.394 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -75.41 -25.94 57.97 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.44 0.696 . . . . 65.11 110.812 177.311 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.76 7.46 55.47 Favored Glycine 0 C--N 1.348 1.232 0 O-C-N 123.633 0.583 . . . . 60.4 113.072 -176.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 6.1 mm-40 -73.78 90.93 1.89 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.565 0.746 . . . . 64.53 109.666 175.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -82.22 -34.37 28.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.238 0.615 . . . . 72.1 112.01 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.85 -43.12 99.49 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.928 0.491 . . . . 72.42 109.803 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.448 ' HB3' HD13 ' A' ' 24' ' ' LEU . 71.4 mt -75.26 -36.17 61.28 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.164 -0.926 . . . . 73.34 111.248 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 21' ' ' LEU . 58.0 tp -56.0 -51.2 68.59 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.147 0.579 . . . . 73.14 110.557 175.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.492 HD21 HD12 ' A' ' 443' ' ' LEU . 64.2 mt -78.97 -19.91 50.5 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.721 -1.127 . . . . 74.52 111.627 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.94 -37.57 75.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.859 0.463 . . . . 72.42 110.534 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 76.3 mm-40 -86.62 -25.84 24.72 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 122.742 0.417 . . . . 71.31 110.932 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -44.44 -57.71 3.4 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 125.809 1.644 . . . . 64.4 112.261 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.2 m -56.59 -49.63 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 114.475 -1.239 . . . . 54.55 111.788 -172.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -67.57 -44.44 78.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.582 0.753 . . . . 75.33 110.915 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.9 t80 -59.26 -60.89 3.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.259 1.423 . . . . 72.33 112.065 -175.205 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.88 -40.9 94.77 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.04 0.838 . . . . 73.11 110.205 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.56 -38.81 82.11 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.158 0.583 . . . . 74.54 111.756 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -65.61 -41.91 92.22 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.321 0.649 . . . . 61.11 111.027 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.509 HG23 HD21 ' A' ' 457' ' ' LEU . 57.9 mt -63.27 -42.57 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 121.884 0.85 . . . . 55.31 110.216 175.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.99 -37.17 85.28 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.943 -1.026 . . . . 63.52 111.795 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 t -84.68 -26.4 27.78 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 112.525 0.565 . . . . 73.33 112.525 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.85 -37.5 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-N 118.709 0.686 . . . . 70.35 109.94 171.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mmt -80.71 -18.25 48.47 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 116.057 -0.52 . . . . 62.11 111.993 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -67.15 -34.43 77.55 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.046 0.938 . . . . 50.13 109.761 170.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -89.2 9.38 25.94 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 114.886 -1.052 . . . . 72.12 110.168 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 71.2 -0.4 3.1 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.123 1.769 . . . . 74.01 112.942 168.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.41 HG23 ' HE1' ' A' ' 7' ' ' PHE . 93.9 m 57.11 90.37 0.09 OUTLIER Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 124.308 1.043 . . . . 65.03 110.324 -167.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.468 ' O ' HG12 ' A' ' 56' ' ' ILE . 53.1 Cg_exo -53.75 130.18 37.75 Favored 'Trans proline' 0 C--N 1.386 2.517 0 C-N-CA 122.99 2.46 . . . . 71.41 111.844 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.61 2.63 7.61 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.203 1.935 . . . . 72.02 113.773 -175.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.82 35.17 4.06 Favored Glycine 0 C--N 1.349 1.296 0 C-N-CA 122.867 0.27 . . . . 43.11 113.14 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 53' ' ' PRO . 36.6 mm -84.57 121.09 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.086 0.954 . . . . 74.05 109.539 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -81.69 174.15 11.65 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 122.897 0.479 . . . . 73.43 110.663 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' A' ' 59' ' ' SER . 7.0 ppt_? -67.47 -34.89 78.1 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.491 0.923 . . . . 72.24 113.491 -165.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.441 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 48.5 t -69.85 -40.11 75.99 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.234 0.54 . . . . 53.13 110.333 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.545 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 74.4 mt -72.35 -39.91 64.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 114.999 -1.001 . . . . 72.21 109.987 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.22 -41.06 96.2 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.919 0.888 . . . . 62.4 110.5 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.61 -48.84 77.67 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.792 0.683 . . . . 72.12 110.899 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.545 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 54.8 mtm -57.2 -53.66 55.56 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 123.689 0.618 . . . . 74.3 110.584 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 68' ' ' ILE . 19.6 m -75.1 -23.8 17.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-N 115.91 -0.586 . . . . 74.44 112.488 -173.156 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.27 81.54 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.34 -0.615 . . . . 62.34 109.34 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.88 97.72 Favored Glycine 0 C--N 1.351 1.394 0 CA-C-N 115.554 -0.748 . . . . 70.43 112.055 171.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.4 m-85 -67.75 -39.06 84.22 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.012 0.525 . . . . 61.05 111.882 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 64' ' ' VAL . 70.3 mt -70.74 -41.37 77.54 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 108.981 -0.748 . . . . 74.43 108.981 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -54.84 -47.79 73.7 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.416 0.686 . . . . 71.33 111.189 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.63 -48.26 77.99 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.475 -0.784 . . . . 74.3 110.716 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 68' ' ' ILE . 2.2 t -69.24 -26.91 65.02 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 123.366 0.416 . . . . 74.01 111.128 -175.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 68' ' ' ILE . 60.0 mt -69.36 -46.43 67.01 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 122.714 0.406 . . . . 72.54 110.405 175.64 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.17 -58.35 8.6 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.435 1.084 . . . . 70.1 110.426 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -62.79 -44.86 95.07 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.136 -0.938 . . . . 51.23 111.941 -173.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.594 ' HA ' HD12 ' A' ' 78' ' ' LEU . 42.6 tt0 -76.21 -23.95 54.65 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.546 0.738 . . . . 64.22 112.271 -174.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -73.0 -37.76 66.85 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.038 0.446 . . . . 73.13 110.11 171.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.88 -34.87 79.12 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.679 -0.692 . . . . 54.4 110.348 174.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 75' ' ' GLU . 87.4 mt -65.12 -44.66 88.0 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.158 0.583 . . . . 71.13 110.564 172.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 63.0 tttp -51.03 -54.45 24.56 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.994 0.918 . . . . 61.42 110.609 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.01 -44.08 37.91 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 114.616 0.607 . . . . 51.33 114.616 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.54 -53.62 48.93 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.446 0.698 . . . . 74.21 110.027 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.7 -26.12 66.02 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.602 -0.726 . . . . 63.25 110.993 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 51.9 tt0 -62.48 -44.2 96.96 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 118.476 0.58 . . . . 63.3 110.54 173.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -58.02 -51.2 70.66 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.124 0.89 . . . . 60.3 109.316 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -55.52 -45.42 77.13 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.307 1.004 . . . . 74.21 111.532 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.7 mt -71.7 -34.55 69.72 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.939 0.496 . . . . 71.31 111.519 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.38 -38.52 84.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.135 0.574 . . . . 72.33 110.209 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 40.2 mt-10 -66.22 -55.72 14.85 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.064 -0.971 . . . . 64.23 109.926 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 93' ' ' ILE . 94.0 mt -58.09 -44.79 87.81 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 124.06 0.944 . . . . 74.41 110.607 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.6 t -57.64 -46.85 83.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.787 0.835 . . . . 73.32 111.654 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.8 t -63.84 -36.26 83.32 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.735 -0.666 . . . . 73.22 110.948 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.0 mt -70.0 -43.19 71.9 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.417 0.687 . . . . 74.32 110.982 177.679 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 89' ' ' LEU . 96.4 mt -61.83 -40.39 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.549 1.139 . . . . 74.42 110.124 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.81 -27.1 67.91 Favored Glycine 0 C--N 1.347 1.166 0 O-C-N 123.193 0.308 . . . . 72.3 113.575 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -78.87 -42.9 26.23 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.507 0.723 . . . . 73.4 111.292 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.495 HG23 HG22 ' A' ' 433' ' ' VAL . 16.1 m -101.95 -16.18 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 113.726 1.01 . . . . 74.53 113.726 -168.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.559 ' HG ' HG11 ' A' ' 433' ' ' VAL . 3.4 tt . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 107.727 -1.212 . . . . 75.21 107.727 177.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.549 -0.167 . . . . 72.2 110.549 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.61 -54.12 48.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.423 0.689 . . . . 74.14 111.284 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 55.6 mt-10 -63.8 -52.61 59.45 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.717 1.26 . . . . 43.25 111.511 -173.003 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.6 t -60.21 -47.64 85.11 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 123.393 0.433 . . . . 74.21 111.183 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 433' ' ' VAL . . . . . 0.559 HG11 ' HG ' ' A' ' 97' ' ' LEU . 75.3 t -63.88 -44.03 97.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 123.202 0.601 . . . . 63.41 110.577 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -61.92 -31.84 72.19 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.256 0.622 . . . . 63.15 112.053 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 38.6 mmt-85 -72.3 -44.7 62.35 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.542 0.337 . . . . 74.54 110.444 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -64.87 -35.59 81.61 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.198 0.311 . . . . 74.5 110.905 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -73.0 -40.92 64.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.989 0.915 . . . . 71.33 110.562 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.7 72.76 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.866 0.467 . . . . 72.03 110.595 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -60.08 -41.04 91.62 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.073 0.549 . . . . 72.15 111.54 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.31 -55.29 36.66 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.538 0.523 . . . . 74.43 109.983 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.5 m -64.87 -33.38 75.87 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.664 1.186 . . . . 74.24 112.437 -173.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -76.53 -45.41 30.9 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.378 0.671 . . . . 74.52 111.538 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.492 HD12 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -71.4 -19.62 62.24 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 122.665 0.386 . . . . 40.2 110.353 173.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.2 -48.75 19.27 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.359 1.064 . . . . 71.41 111.029 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -68.06 -34.48 76.54 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 109.8 -0.445 . . . . 62.21 109.8 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.591 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -61.25 -44.61 96.97 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.711 0.632 . . . . 72.05 109.589 173.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.615 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 45.6 ttm -66.93 -47.22 72.37 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 124.109 0.88 . . . . 75.43 112.569 -176.565 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 16.3 p -60.99 -41.16 95.93 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 122.949 0.5 . . . . 74.32 110.674 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -70.8 -41.87 71.03 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.385 -0.825 . . . . 53.3 111.348 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.615 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 1.9 pp -74.94 -18.39 60.41 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 118.268 0.486 . . . . 54.41 110.987 -176.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -79.96 -43.77 21.46 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.688 0.795 . . . . 73.15 109.412 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -59.85 -50.15 74.93 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 115.206 -0.906 . . . . 54.01 110.032 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 59.2 p -61.22 -57.96 10.25 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.032 -0.985 . . . . 40.24 110.101 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 81.4 p -50.03 -37.42 32.98 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.835 0.854 . . . . 71.01 112.786 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.9 t -59.56 -60.78 3.29 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 124.143 0.902 . . . . 72.33 111.114 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -75.32 -19.33 59.7 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.647 0.61 . . . . 72.25 112.647 -177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.509 HD21 HG23 ' A' ' 44' ' ' ILE . 47.5 mt -75.11 -42.47 56.46 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.504 0.722 . . . . 61.12 110.496 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.4 t -72.25 -31.33 65.7 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.969 -0.382 . . . . 61.43 109.969 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -65.93 -44.02 86.36 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.734 0.413 . . . . 62.24 111.051 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -69.8 -28.05 65.4 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.532 0.733 . . . . 64.03 110.802 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -72.56 -48.51 39.52 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.87 0.468 . . . . 64.43 110.167 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 45.5 m -57.37 -42.52 82.25 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.312 1.008 . . . . 70.53 110.082 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.0 -47.85 56.5 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 123.741 0.65 . . . . 62.21 112.404 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 464' ' ' MET . . . . . 0.423 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.6 ttm -66.6 -31.63 72.44 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 122.857 0.463 . . . . 74.04 110.621 -173.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -84.82 -63.84 1.26 Allowed 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.879 -0.601 . . . . 72.55 109.884 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.58 81.74 2.0 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.269 0.628 . . . . 74.13 112.181 174.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.253 1.278 0 O-C-N 121.275 -0.891 . . . . 75.43 110.383 166.803 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.443 ' HA ' HG12 ' A' ' 5' ' ' VAL . 18.1 p . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 113.762 1.023 . . . . 74.45 113.762 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -58.92 -43.86 91.18 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.576 0.703 . . . . 62.14 111.902 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 61.1 m -75.72 -35.62 60.21 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.325 -0.852 . . . . 74.14 111.597 -177.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 2' ' ' THR . 9.8 p -74.79 -39.82 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 122.048 -0.408 . . . . 60.13 110.677 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.43 -36.64 84.55 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 121.478 0.656 . . . . 73.12 109.906 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 4' ' ' THR . 74.8 t80 -53.92 -61.37 2.35 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 114.848 -1.069 . . . . 65.5 110.742 171.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.414 HG12 HG23 ' A' ' 60' ' ' ILE . 94.1 mt -57.96 -55.6 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 124.19 0.996 . . . . 72.5 111.942 -177.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -53.65 -48.31 69.52 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.754 -1.112 . . . . 71.22 112.387 -176.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.482 ' O ' HG13 ' A' ' 14' ' ' ILE . 21.4 mtm180 -80.57 -26.11 38.15 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 118.249 -0.881 . . . . 72.52 111.813 -174.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.441 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 47.0 m95 -66.63 -39.04 88.11 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.146 0.885 . . . . 55.32 110.222 171.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -57.46 -46.13 83.99 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.715 0.635 . . . . 62.5 109.965 171.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -58.82 -45.57 89.65 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.569 -0.741 . . . . 74.42 110.991 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 10' ' ' ARG . 93.2 mt -57.39 -44.13 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.771 0.829 . . . . 64.32 110.748 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.73 -43.1 76.65 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.53 0.567 . . . . 73.11 112.53 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.83 -46.28 82.6 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 116.058 -0.519 . . . . 74.43 111.348 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.5 mt -68.13 -46.15 71.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.953 0.901 . . . . 75.2 109.917 -175.024 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.537 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 48.0 p -58.58 -47.5 84.06 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.759 0.662 . . . . 72.14 111.135 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -57.39 -46.72 83.13 Favored 'General case' 0 C--O 1.243 0.735 0 O-C-N 124.389 1.056 . . . . 74.4 111.758 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.464 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.3 m -61.29 -60.09 4.27 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.505 -0.771 . . . . 72.45 110.391 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.612 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -66.24 -23.21 66.38 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.268 0.627 . . . . 72.11 111.868 -175.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 74' ' ' ASN . 51.6 tp -62.2 -55.98 23.18 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 109.312 -0.625 . . . . 70.53 109.312 173.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.09 -35.3 78.27 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.398 1.061 . . . . 73.3 111.065 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.587 HD13 ' HB3' ' A' ' 32' ' ' LEU . 69.3 mt -65.89 -46.39 78.51 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.505 0.722 . . . . 73.35 110.542 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.54 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -67.21 -34.91 78.5 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.987 0.915 . . . . 64.52 111.935 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.77 -25.45 53.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.477 1.111 . . . . 75.23 110.494 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -77.94 -25.24 48.17 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.656 -0.702 . . . . 74.34 110.456 168.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.16 0.88 47.95 Favored Glycine 0 C--N 1.349 1.279 0 CA-C-N 115.934 -0.575 . . . . 71.41 113.237 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.14 83.27 1.81 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.508 0.723 . . . . 74.14 109.892 171.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.429 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 34.2 m95 -67.03 -35.91 80.93 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 114.951 -1.022 . . . . 73.43 110.707 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -56.69 -46.96 80.88 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.761 0.663 . . . . 62.32 110.963 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.587 ' HB3' HD13 ' A' ' 24' ' ' LEU . 75.2 mt -73.29 -34.73 65.91 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.374 -0.83 . . . . 61.13 111.058 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' A' ' 21' ' ' LEU . 33.7 tp -54.4 -52.83 60.48 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.888 0.875 . . . . 71.42 111.21 171.026 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD21 HD12 ' A' ' 443' ' ' LEU . 65.9 mt -70.64 -28.42 64.81 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.718 1.207 . . . . 54.25 111.444 -174.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -59.89 -45.34 92.8 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.417 0.627 . . . . 74.4 109.77 172.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 89.7 mm-40 -87.57 -14.16 40.93 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.871 -1.059 . . . . 72.33 111.942 -176.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.83 -57.77 9.1 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.551 1.14 . . . . 73.41 110.929 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 m -58.58 -41.38 81.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-N 114.223 -1.353 . . . . 74.43 111.422 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -64.19 -45.15 89.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.558 0.743 . . . . 61.33 110.568 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 17.8 t80 -67.35 -60.62 2.43 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.505 -1.225 . . . . 62.53 111.466 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.46 -39.06 86.2 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.883 0.739 . . . . 74.55 110.72 -177.035 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -62.89 -40.23 96.89 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.279 0.632 . . . . 65.34 111.369 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -62.1 -40.16 94.92 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.64 0.376 . . . . 75.32 111.262 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG23 HD21 ' A' ' 457' ' ' LEU . 57.2 mt -64.78 -42.33 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 121.229 0.538 . . . . 64.05 110.256 174.622 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.9 -46.19 88.97 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.633 -0.712 . . . . 71.31 111.277 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -72.69 -33.45 66.52 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 112.346 0.499 . . . . 73.05 112.346 -173.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.68 -33.17 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-N 118.328 0.513 . . . . 74.12 110.707 173.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.4 mmt -81.58 -20.34 40.07 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.486 0.55 . . . . 74.04 112.486 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -77.21 -31.07 54.99 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.011 0.524 . . . . 73.41 110.533 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -84.82 -5.39 59.33 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 115.807 -0.633 . . . . 72.34 109.821 171.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 65.34 14.0 9.16 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.808 1.643 . . . . 73.03 113.387 167.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.407 HG23 ' CE1' ' A' ' 7' ' ' PHE . 71.0 m 64.59 113.63 0.03 OUTLIER Pre-proline 0 CA--C 1.561 1.395 0 C-N-CA 124.403 1.081 . . . . 63.55 110.816 -170.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HG2' HD11 ' A' ' 56' ' ' ILE . 33.3 Cg_endo -63.12 146.62 94.42 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.572 2.182 . . . . 75.41 111.771 173.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 10.5 Cg_exo -72.91 -15.28 26.44 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.98 2.453 . . . . 72.21 113.209 177.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.51 59.77 4.89 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 123.008 0.337 . . . . 73.43 112.894 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.491 HD11 ' HG2' ' A' ' 53' ' ' PRO . 43.9 mm -118.77 109.78 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.438 1.095 . . . . 64.12 108.82 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.4 t -76.39 172.5 12.82 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.331 0.653 . . . . 73.32 110.47 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -27.29 66.24 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.527 0.731 . . . . 72.04 112.141 -171.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 63' ' ' MET . 34.8 t -71.15 -47.12 59.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.22 0.608 . . . . 72.11 109.807 178.419 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.616 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 89.7 mt -64.19 -42.99 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 115.604 -0.725 . . . . 53.42 110.2 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -51.36 -50.9 58.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.591 1.157 . . . . 75.35 110.748 173.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.06 -43.92 94.02 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.487 -0.779 . . . . 65.42 111.346 -176.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.616 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 35.1 mtm -60.36 -59.79 4.85 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.455 0.472 . . . . 75.05 110.159 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 68' ' ' ILE . 29.9 m -64.99 -37.59 80.65 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-N 115.451 -0.795 . . . . 70.53 111.667 -173.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.14 -32.17 73.72 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 118.07 0.395 . . . . 74.2 110.645 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.74 -45.89 94.81 Favored Glycine 0 C--N 1.347 1.148 0 N-CA-C 111.556 -0.618 . . . . 74.22 111.556 170.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.448 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 37.5 m-85 -64.47 -33.48 75.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.998 0.519 . . . . 73.45 111.717 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 64' ' ' VAL . 73.2 mt -69.52 -44.25 79.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 108.722 -0.844 . . . . 71.02 108.722 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.3 -40.4 94.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.126 0.57 . . . . 73.5 110.773 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 77.3 mt-30 -62.66 -49.63 74.37 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.858 -0.61 . . . . 73.24 110.529 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -68.75 -30.07 68.6 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.244 -0.889 . . . . 62.14 111.021 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.23 -39.63 82.28 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.875 0.87 . . . . 53.25 110.757 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.72 -50.9 69.29 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.887 0.742 . . . . 52.14 109.95 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' HA ' HD22 ' A' ' 22' ' ' LEU . 66.0 m-20 -62.46 -45.36 93.42 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.864 -1.062 . . . . 73.11 110.726 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.5 tt0 -77.54 -20.73 53.7 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.22 1.008 . . . . 74.53 111.75 -176.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.48 -41.07 76.66 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.222 0.609 . . . . 64.34 109.59 171.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.7 -37.14 76.49 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.966 -1.016 . . . . 74.24 110.6 175.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -63.28 -39.41 94.51 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.008 0.523 . . . . 62.54 110.095 174.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -57.39 -56.04 26.98 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.418 0.687 . . . . 71.23 109.962 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.7 -57.29 12.89 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-N 115.638 -0.71 . . . . 64.21 112.913 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.86 -58.63 7.29 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.909 1.283 . . . . 55.03 111.005 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 79.5 mt -65.88 -36.01 82.24 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 119.022 -0.513 . . . . 71.21 111.462 -174.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.62 -39.23 93.35 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 118.337 0.517 . . . . 64.53 111.188 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.67 -47.62 85.45 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.012 -0.54 . . . . 74.54 110.038 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -57.23 -46.14 83.23 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 123.659 0.783 . . . . 74.41 111.193 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 92.5 mt -66.66 -32.29 73.52 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.661 0.785 . . . . 71.52 111.418 -178.334 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.62 -47.44 69.64 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.482 0.658 . . . . 72.13 110.011 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 39.7 mt-10 -65.2 -44.14 89.33 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.525 -1.216 . . . . 73.05 110.448 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.449 ' O ' HG13 ' A' ' 93' ' ' ILE . 83.4 mt -64.49 -39.8 94.48 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.508 0.723 . . . . 61.23 110.781 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -63.77 -39.2 93.68 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.322 0.649 . . . . 64.03 110.6 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 t -67.41 -37.18 82.68 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.174 -0.921 . . . . 71.11 110.679 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 97.9 mt -66.66 -42.53 86.47 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.242 0.617 . . . . 74.52 110.634 177.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 89' ' ' LEU . 84.3 mt -64.61 -37.44 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 123.874 0.87 . . . . 71.33 109.999 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.72 -20.5 66.29 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 116.023 -0.535 . . . . 52.55 113.793 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -98.15 -41.43 7.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.068 0.947 . . . . 70.52 111.367 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.476 HG23 HG22 ' A' ' 433' ' ' VAL . 35.1 m -83.53 -33.04 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 122.918 0.487 . . . . 53.21 111.731 -172.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 108.128 -1.064 . . . . 71.11 108.128 177.623 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.073 -0.343 . . . . 74.24 110.073 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.9 -51.43 63.72 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.341 0.657 . . . . 72.21 111.399 173.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 39.6 mt-10 -62.5 -51.73 66.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.821 0.848 . . . . 72.35 111.2 -173.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.1 t -67.07 -40.31 87.0 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.399 0.437 . . . . 74.04 111.252 -177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 433' ' ' VAL . . . . . 0.497 ' HA ' ' HD2' ' A' ' 436' ' ' TYR . 79.3 t -69.17 -31.19 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 122.359 0.263 . . . . 71.31 110.472 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.38 60.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 119.143 -0.456 . . . . 74.45 111.033 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 28.7 mmt180 -72.38 -40.99 66.83 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.974 0.509 . . . . 75.33 110.059 172.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' TYR . . . . . 0.497 ' HD2' ' HA ' ' A' ' 433' ' ' VAL . 50.5 m-85 -62.23 -51.51 67.45 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.978 -0.379 . . . . 72.12 109.978 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -65.33 -30.81 71.69 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.854 1.346 . . . . 74.41 111.153 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.79 -61.63 1.96 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.266 -0.642 . . . . 72.04 109.266 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -63.69 -28.41 69.88 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.722 0.409 . . . . 72.34 111.204 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -65.37 -63.57 1.07 Allowed 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 115.668 -0.696 . . . . 73.42 109.54 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 34.2 m -67.93 -32.93 73.73 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.994 0.918 . . . . 74.02 112.33 -171.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -66.09 -53.61 35.94 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.061 0.945 . . . . 75.25 111.041 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.518 HD12 HD21 ' A' ' 34' ' ' LEU . 7.4 mp -71.35 -18.39 62.38 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.207 -0.452 . . . . 73.01 110.661 177.54 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.2 -46.23 23.97 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.235 1.014 . . . . 50.05 111.242 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.9 t -66.44 -37.8 85.98 Favored 'General case' 0 C--O 1.247 0.939 0 N-CA-C 108.7 -0.852 . . . . 71.52 108.7 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.645 ' HG2' HD23 ' A' ' 450' ' ' LEU . 24.9 ttt -63.35 -42.84 98.93 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 115.888 -0.597 . . . . 75.44 110.115 173.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -53.79 54.32 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.945 0.898 . . . . 54.44 111.449 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 31.8 p -61.17 -40.73 94.97 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 123.998 0.811 . . . . 71.31 111.091 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -72.36 -40.77 67.09 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 116.024 -0.535 . . . . 75.35 111.522 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.645 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -74.25 -25.01 59.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 109.987 -0.375 . . . . 74.35 109.987 -175.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -73.54 -46.11 49.54 Favored 'General case' 0 C--O 1.246 0.873 0 C-N-CA 123.367 0.667 . . . . 75.44 109.458 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.78 -46.82 88.01 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.042 -0.981 . . . . 73.14 110.536 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 41.6 p -62.15 -62.6 1.66 Allowed 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 118.466 -0.778 . . . . 74.13 110.133 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 77.8 p -52.58 -31.05 34.24 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.34 0.656 . . . . 62.1 112.521 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.421 ' O ' HG22 ' A' ' 458' ' ' THR . 35.3 t -59.66 -64.99 0.75 Allowed 'General case' 0 CA--C 1.554 1.097 0 O-C-N 123.495 0.497 . . . . 64.01 110.831 173.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -72.76 -19.4 61.37 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.366 0.506 . . . . 73.44 112.366 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.411 HD21 HG23 ' A' ' 44' ' ' ILE . 49.0 mt -76.66 -36.34 57.4 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.816 0.846 . . . . 73.23 110.788 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 455' ' ' SER . 5.2 t -73.27 -33.03 65.02 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.337 -0.616 . . . . 73.03 109.337 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -66.79 -37.74 85.16 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 123.419 0.45 . . . . 64.23 110.741 169.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -65.94 -40.35 91.3 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.688 0.795 . . . . 51.2 110.699 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -62.0 -53.1 60.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.538 0.735 . . . . 75.31 110.042 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 16.5 m -63.16 -36.09 82.46 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.085 -0.961 . . . . 71.31 111.838 -176.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -77.15 -52.61 8.98 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.913 0.485 . . . . 73.44 111.097 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.6 ttm -61.37 -34.55 75.5 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.756 -0.657 . . . . 73.21 110.677 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -76.58 -66.14 0.85 Allowed 'General case' 0 CA--C 1.553 1.083 0 O-C-N 123.922 0.764 . . . . 74.41 109.237 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.39 82.97 2.07 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.803 0.841 . . . . 72.41 112.321 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 CA--C 1.561 1.392 0 CA-C-O 118.551 -0.738 . . . . 72.33 110.361 162.523 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.8 p . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 111.869 0.322 . . . . 70.43 111.869 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -62.57 -38.54 90.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.65 0.78 . . . . 74.1 111.253 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 27.7 m -73.34 -42.11 62.66 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.524 -0.762 . . . . 54.21 111.606 -177.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 p -69.62 -38.92 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 110.449 -0.204 . . . . 65.32 110.449 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.2 -35.91 78.73 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 120.591 0.234 . . . . 75.3 110.433 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CD1' ' HD2' ' A' ' 53' ' ' PRO . 35.8 t80 -52.4 -58.69 5.92 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.085 0.954 . . . . 75.32 110.304 170.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.47 HD11 HD13 ' A' ' 60' ' ' ILE . 89.9 mt -57.36 -53.62 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 124.7 1.2 . . . . 72.41 111.835 -177.036 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.78 -44.33 97.09 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.009 -0.996 . . . . 75.32 111.66 -173.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 14' ' ' ILE . 78.0 mtm180 -78.7 -26.3 44.86 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.294 -0.412 . . . . 74.54 111.632 -177.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.48 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 35.2 m95 -67.12 -36.46 81.94 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 118.112 0.415 . . . . 71.22 110.191 169.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.68 -39.89 93.02 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.612 0.57 . . . . 61.51 109.796 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -57.84 -55.73 31.07 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.747 -0.66 . . . . 74.13 109.766 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 10' ' ' ARG . 97.3 mt -52.05 -48.22 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 124.331 1.052 . . . . 60.31 111.811 -176.422 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.0 -50.89 60.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.462 0.705 . . . . 65.43 112.214 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.16 -33.97 70.52 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.044 -0.525 . . . . 61.45 111.792 -175.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 85.0 mt -68.91 -53.12 22.79 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 118.803 -0.618 . . . . 73.54 109.722 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.0 p -54.55 -42.5 71.01 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 123.997 0.811 . . . . 72.21 111.259 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -56.97 -55.17 38.09 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.447 1.092 . . . . 73.32 111.487 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -63.28 -52.02 63.72 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.547 -0.751 . . . . 64.23 111.983 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.625 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -69.82 -25.72 63.89 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.355 0.662 . . . . 64.44 111.325 -175.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 74' ' ' ASN . 60.7 tp -61.05 -49.83 75.79 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.192 -0.669 . . . . 74.32 109.192 171.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.02 -43.79 86.94 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 124.183 0.927 . . . . 64.42 110.472 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 32' ' ' LEU . 71.0 mt -64.11 -34.11 77.3 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.06 0.944 . . . . 61.45 111.458 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -70.53 -40.01 73.69 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.54 0.736 . . . . 72.35 111.03 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -68.29 -33.92 75.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.737 0.815 . . . . 64.24 110.654 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -76.03 -26.34 56.53 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.409 1.084 . . . . 74.12 110.58 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.14 -3.06 55.03 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.62 0.575 . . . . 75.23 113.524 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.14 90.4 1.56 Allowed 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 117.518 0.659 . . . . 54.14 110.19 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -75.28 -33.04 61.21 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.849 -1.069 . . . . 72.03 111.022 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -60.05 -47.29 86.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.056 0.542 . . . . 71.23 110.632 175.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HB3' HD13 ' A' ' 24' ' ' LEU . 75.7 mt -72.22 -34.18 68.13 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.221 -0.899 . . . . 73.34 110.881 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.2 tp -56.64 -50.75 71.12 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.791 0.837 . . . . 73.44 110.885 173.33 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.38 -26.76 62.92 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.579 1.152 . . . . 73.41 111.759 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.76 -42.37 95.18 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.115 0.566 . . . . 73.2 110.235 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 63.0 mm-40 -83.33 -25.69 31.24 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.201 -0.454 . . . . 71.52 110.858 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -50.04 -57.05 8.41 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.209 1.403 . . . . 61.24 111.982 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.4 m -55.82 -46.32 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.963 -1.017 . . . . 73.44 111.857 -170.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 p -73.93 -35.45 64.59 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.461 0.704 . . . . 75.44 110.565 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.3 t80 -62.51 -62.9 1.43 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.191 0.997 . . . . 72.31 111.701 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.72 -37.85 85.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.706 0.802 . . . . 71.32 110.709 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -56.84 -48.26 78.44 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.492 0.495 . . . . 75.45 110.318 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.424 ' HA ' HG22 ' A' ' 46' ' ' THR . 73.6 m -61.94 -36.32 81.03 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.661 0.601 . . . . 63.33 111.6 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.531 HG23 HD21 ' A' ' 457' ' ' LEU . 65.1 mt -64.64 -52.03 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 123.576 0.547 . . . . 74.24 110.021 175.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -58.99 -40.24 84.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.953 0.901 . . . . 75.33 111.639 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.424 HG22 ' HA ' ' A' ' 43' ' ' SER . 12.4 t -79.89 -32.01 40.27 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.002 0.371 . . . . 61.12 112.002 -172.556 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.8 m -71.48 -25.39 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 118.825 0.739 . . . . 75.1 109.807 170.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 mmt -81.26 -14.83 57.02 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.685 0.794 . . . . 72.41 111.783 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.51 -30.91 67.8 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 117.946 0.339 . . . . 75.15 110.538 167.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -82.31 -21.67 36.0 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.945 0.498 . . . . 74.11 110.75 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 60.64 33.15 20.38 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.272 1.029 . . . . 75.33 111.303 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.6 m 66.08 105.71 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 124.776 1.23 . . . . 62.13 110.356 -171.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 76.1 Cg_exo -48.42 142.65 16.94 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.327 2.685 . . . . 74.4 113.814 169.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 15.0 Cg_exo -70.79 -24.29 25.11 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.836 2.357 . . . . 70.13 112.625 174.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.73 58.37 4.9 Favored Glycine 0 C--N 1.35 1.316 0 O-C-N 123.431 0.457 . . . . 40.23 113.053 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.3 mm -116.9 116.11 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 107.425 -1.324 . . . . 72.04 107.425 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.1 t -79.09 175.39 10.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.909 0.483 . . . . 54.44 110.273 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -29.69 70.18 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.42 0.688 . . . . 74.3 111.315 -176.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 63' ' ' MET . 35.6 t -72.57 -47.03 51.35 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.954 0.501 . . . . 54.43 110.196 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.477 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 83.7 mt -67.86 -36.47 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.525 0.73 . . . . 62.45 110.774 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.71 -43.81 97.83 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.683 0.793 . . . . 74.11 110.012 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.49 -45.8 92.69 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 124.023 0.827 . . . . 75.33 110.851 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.477 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 31.8 mtm -55.88 -65.85 0.53 Allowed 'General case' 0 C--N 1.361 1.074 0 O-C-N 123.977 0.798 . . . . 73.41 109.316 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.0 m -67.61 -21.4 27.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 124.103 0.877 . . . . 71.43 112.753 -172.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.88 87.1 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.058 -0.719 . . . . 75.45 109.058 168.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.96 -43.22 99.22 Favored Glycine 0 CA--C 1.539 1.538 0 CA-C-N 115.204 -0.907 . . . . 70.42 113.778 170.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -60.2 -48.06 83.34 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 117.502 0.651 . . . . 75.22 110.916 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 64' ' ' VAL . 34.9 mt -68.49 -40.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 115.433 -0.803 . . . . 64.01 109.171 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -59.71 -39.17 83.77 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.877 0.471 . . . . 64.12 111.201 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.71 -55.69 31.2 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.166 0.586 . . . . 61.33 109.778 172.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -65.89 -27.62 68.34 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.234 -0.893 . . . . 72.52 111.94 -171.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' ILE . 82.4 mt -70.78 -46.7 62.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.547 0.739 . . . . 70.55 110.429 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.82 -51.74 66.44 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.47 1.106 . . . . 64.04 110.486 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.549 ' HA ' HD22 ' A' ' 22' ' ' LEU . 10.0 m120 -68.71 -42.61 77.47 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.474 -1.239 . . . . 51.2 111.526 -173.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.8 tt0 -76.44 -23.08 53.91 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.636 0.774 . . . . 54.13 111.49 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.74 -44.79 84.91 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.639 0.776 . . . . 45.03 109.714 169.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.09 -27.0 62.37 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.216 -0.902 . . . . 73.4 111.216 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 75' ' ' GLU . 98.3 mt -66.79 -43.12 84.77 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 109.545 -0.539 . . . . 61.31 109.545 170.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -56.91 -51.3 69.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.789 -0.641 . . . . 72.54 110.574 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.24 -55.63 20.24 Favored Glycine 0 CA--C 1.534 1.254 0 O-C-N 123.372 0.42 . . . . 24.1 113.38 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.73 -53.75 46.24 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.956 0.902 . . . . 64.51 111.085 -173.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.79 -28.74 67.85 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 118.695 -0.669 . . . . 71.54 111.092 -177.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -61.86 -42.65 99.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 118.724 0.693 . . . . 55.13 110.433 173.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.99 -47.44 85.81 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.898 0.749 . . . . 54.43 110.349 175.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 8.1 mmp_? -59.03 -49.44 77.87 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.18 0.592 . . . . 74.51 111.199 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 443' ' ' LEU . 96.0 mt -66.85 -33.61 75.97 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.444 1.098 . . . . 64.33 112.115 -177.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.62 -46.37 88.59 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.963 0.789 . . . . 74.45 109.47 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 43.9 mt-10 -70.54 -41.25 72.75 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.732 -1.122 . . . . 72.03 111.008 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.02 -38.73 92.38 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.358 0.663 . . . . 71.45 110.389 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.1 t -66.97 -35.79 80.75 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.351 0.66 . . . . 63.5 110.281 175.302 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t -68.9 -31.91 71.16 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.155 0.582 . . . . 73.32 110.526 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 53.8 mt -70.52 -50.07 41.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.098 0.559 . . . . 63.15 109.932 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.5 mt -62.45 -34.87 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 124.416 1.086 . . . . 63.03 110.522 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.22 -18.17 66.85 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 115.875 -0.602 . . . . 70.33 113.568 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -101.03 -53.57 3.01 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.51 0.724 . . . . 73.03 110.495 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 433' ' ' VAL . 23.8 m -73.1 -31.95 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.229 0.612 . . . . 75.32 112.058 -170.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 107.651 -1.241 . . . . 72.22 107.651 178.052 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 110.446 -0.205 . . . . 70.51 110.446 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.77 -43.0 94.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.242 0.617 . . . . 72.55 111.322 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 40.3 mt-10 -62.51 -56.44 18.01 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.252 0.97 . . . . 74.35 110.729 -176.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 10.1 t -61.94 -43.96 97.75 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.812 0.695 . . . . 70.33 111.217 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 433' ' ' VAL . . . . . 0.441 HG22 HG23 ' A' ' 96' ' ' VAL . 43.0 t -59.06 -43.4 89.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 122.849 0.46 . . . . 74.41 109.872 176.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.37 -30.66 71.7 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.248 0.619 . . . . 63.5 111.886 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 15.3 mmt180 -69.96 -51.95 28.41 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.579 0.352 . . . . 75.03 110.051 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -73.75 -25.31 60.1 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 116.138 -0.483 . . . . 72.43 111.597 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -74.9 -39.42 61.46 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.842 0.857 . . . . 60.53 110.16 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.52 -53.24 51.12 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 123.517 0.51 . . . . 70.34 109.67 175.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -54.13 -41.84 68.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.762 0.825 . . . . 74.45 111.803 177.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -60.22 -62.84 1.57 Allowed 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.167 -0.924 . . . . 74.01 109.956 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 91.4 m -62.02 -33.67 74.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.903 0.881 . . . . 72.32 112.882 -172.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -69.82 -51.7 31.39 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.876 0.87 . . . . 64.32 111.178 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.408 ' HB2' HD21 ' A' ' 86' ' ' LEU . 8.4 mp -74.3 -18.9 60.65 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 116.564 -0.289 . . . . 70.11 110.515 177.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -76.03 -46.82 27.41 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.22 1.008 . . . . 53.54 110.783 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.2 t -67.67 -33.24 74.54 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 109.666 -0.494 . . . . 65.5 109.666 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.588 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.5 ttt -60.61 -45.12 95.2 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.929 0.768 . . . . 72.12 109.495 171.534 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.508 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 2.5 ttm -65.14 -47.53 76.76 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.192 0.932 . . . . 72.31 112.361 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 25.0 p -63.33 -42.1 98.93 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 123.126 0.57 . . . . 51.21 110.88 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.62 -43.68 72.21 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 115.509 -0.769 . . . . 73.35 111.104 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.588 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.3 pp -71.52 -22.95 61.71 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 123.036 0.21 . . . . 73.41 110.579 -175.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -70.81 -49.81 42.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.597 0.759 . . . . 74.43 109.035 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -58.21 -47.46 83.41 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 114.911 -1.041 . . . . 73.33 110.903 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 56.2 p -65.07 -60.34 3.14 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 118.252 -0.88 . . . . 71.25 110.026 -176.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.9 p -50.94 -36.09 36.77 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 123.666 0.786 . . . . 71.4 112.542 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.1 t -57.35 -63.7 1.14 Allowed 'General case' 0 CA--C 1.553 1.071 0 O-C-N 124.004 0.815 . . . . 62.12 111.032 173.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -73.05 -20.39 60.99 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 112.744 0.646 . . . . 71.2 112.744 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 44' ' ' ILE . 54.5 mt -73.79 -39.55 64.05 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.971 0.908 . . . . 41.55 110.178 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.0 t -75.8 -33.2 60.11 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 110.175 -0.306 . . . . 74.42 110.175 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -68.61 -37.91 80.16 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.963 -0.562 . . . . 72.34 110.315 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -71.14 -37.83 72.25 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.979 0.512 . . . . 71.15 110.827 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 461' ' ' PHE . . . . . 0.41 ' HB2' HG21 ' A' ' 68' ' ' ILE . 20.0 t80 -63.27 -53.87 46.17 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.105 0.562 . . . . 74.32 109.99 177.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 85.5 m -59.43 -43.61 93.06 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 124.323 1.014 . . . . 62.51 110.528 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.89 -52.1 61.5 Favored 'General case' 0 C--O 1.245 0.819 0 O-C-N 123.483 0.489 . . . . 53.21 111.284 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 48.3 ttm -61.42 -30.81 70.8 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.123 0.969 . . . . 72.04 111.179 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -88.64 -77.32 0.37 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 108.825 -0.806 . . . . 74.33 108.825 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.21 77.98 1.68 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 123.683 0.793 . . . . 61.53 111.385 175.675 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.487 1.416 0 O-C-N 121.781 -0.575 . . . . 60.35 110.814 171.371 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.7 p . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 112.561 0.578 . . . . 71.15 112.561 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m -61.68 -41.7 97.93 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.705 0.628 . . . . 61.35 111.449 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.452 HG23 HD13 ' A' ' 56' ' ' ILE . 58.7 m -70.44 -42.21 71.86 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.587 -0.733 . . . . 65.4 111.297 -177.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.444 ' HA ' HD12 ' A' ' 8' ' ' ILE . 9.9 p -75.58 -35.24 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 117.506 0.139 . . . . 73.34 111.251 -174.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.29 -34.0 74.05 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.906 -0.405 . . . . 72.04 109.906 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.25 -44.35 92.39 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.19 0.996 . . . . 74.53 110.434 172.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 4' ' ' THR . 95.2 mt -59.95 -57.25 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 124.66 1.184 . . . . 53.21 111.409 177.035 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 59.6 m-80 -59.73 -41.58 91.22 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.54 0.736 . . . . 63.5 111.484 -176.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.633 HH22 ' HD2' ' A' ' 50' ' ' LYS . 22.4 mtm180 -71.73 -31.35 66.61 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 118.956 -0.545 . . . . 73.42 111.695 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.465 ' HH2' HD22 ' A' ' 457' ' ' LEU . 22.0 m95 -66.75 -38.02 85.8 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.288 0.494 . . . . 74.42 111.243 173.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -56.85 -44.7 82.42 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.504 0.502 . . . . 70.05 110.22 170.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.2 mmt180 -58.65 -53.26 60.32 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.683 0.614 . . . . 74.32 110.076 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.6 mt -56.21 -43.55 76.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 124.617 1.167 . . . . 75.22 111.643 -174.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.53 70.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.258 0.623 . . . . 65.32 112.105 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.69 -35.3 77.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.054 -0.521 . . . . 65.04 110.506 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 78.6 mt -65.79 -55.33 17.77 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.645 0.778 . . . . 75.52 110.301 176.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.1 p -53.73 -44.26 69.75 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.311 1.007 . . . . 72.31 111.265 -176.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -63.59 -47.74 80.23 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 124.384 1.053 . . . . 64.02 111.407 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -65.8 -51.78 56.21 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.096 0.558 . . . . 75.25 112.172 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.578 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -69.81 -24.3 63.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.768 0.427 . . . . 70.44 111.396 -177.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD21 HD12 ' A' ' 77' ' ' LEU . 61.6 tp -61.43 -47.86 83.8 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.965 0.506 . . . . 43.35 110.005 170.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.88 -45.58 89.88 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.231 -0.895 . . . . 62.4 110.148 175.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 32' ' ' LEU . 60.7 mt -63.12 -33.31 75.19 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.606 0.762 . . . . 64.35 111.947 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -67.26 -47.83 69.54 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.79 0.836 . . . . 62.31 110.899 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.06 -17.57 58.65 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.416 -0.356 . . . . 61.3 111.668 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -79.98 -24.69 40.74 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.348 0.659 . . . . 71.01 110.181 171.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.88 -1.63 51.94 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 119.556 -0.58 . . . . 74.41 114.303 173.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -81.14 90.51 6.05 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 117.513 0.656 . . . . 61.35 109.867 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 26.6 m95 -69.21 -34.55 75.03 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 114.563 -1.199 . . . . 42.32 109.985 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.6 -48.02 69.64 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.043 0.537 . . . . 63.33 110.92 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.554 ' HB3' HD13 ' A' ' 24' ' ' LEU . 83.6 mt -75.3 -35.86 61.22 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.342 -0.845 . . . . 51.34 111.339 -178.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 21' ' ' LEU . 50.0 tp -57.8 -49.08 77.81 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.929 0.892 . . . . 61.11 110.961 174.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.535 HD21 HD12 ' A' ' 443' ' ' LEU . 47.0 mt -79.64 -24.34 41.95 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.332 1.053 . . . . 74.32 110.829 -174.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -63.36 -39.87 95.71 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.656 0.783 . . . . 73.41 109.549 172.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 80.1 mm-40 -84.23 -24.56 29.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.054 -0.976 . . . . 74.42 111.221 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -50.42 -53.1 31.96 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.145 0.978 . . . . 74.04 111.782 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.88 -46.63 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 O-C-N 124.328 1.018 . . . . 62.23 111.334 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 m -67.41 -40.5 85.58 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.855 0.862 . . . . 64.42 110.926 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.451 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 29.8 t80 -67.62 -61.5 1.86 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.995 1.318 . . . . 63.23 111.539 -173.241 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.14 -35.42 80.72 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.086 0.866 . . . . 53.53 111.172 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.13 -44.03 97.97 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.309 0.244 . . . . 75.05 111.074 174.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 46' ' ' THR . 72.8 m -63.97 -36.66 84.68 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.456 0.473 . . . . 55.4 111.589 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.557 HG23 HD21 ' A' ' 457' ' ' LEU . 75.1 mt -66.02 -50.34 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 121.686 0.755 . . . . 72.52 110.401 175.371 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.15 -26.96 67.67 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.325 -0.852 . . . . 71.23 111.81 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 43' ' ' SER . 6.2 t -86.88 -28.53 22.78 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.602 0.593 . . . . 64.14 112.602 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.02 -23.99 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 118.72 0.691 . . . . 70.34 109.991 170.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.408 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 22.8 mmt -87.15 -23.4 24.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.489 0.715 . . . . 62.3 111.993 172.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 34.7 tt0 -68.37 -31.99 71.75 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.424 0.69 . . . . 71.02 109.273 167.467 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.633 ' HD2' HH22 ' A' ' 10' ' ' ARG . 0.1 OUTLIER -68.36 -15.28 63.5 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.548 -1.205 . . . . 74.23 110.815 175.501 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 72.52 2.61 4.41 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.542 1.537 . . . . 74.44 111.194 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.404 HG21 ' NE2' ' A' ' 460' ' ' GLN . 90.8 m 62.21 109.57 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 124.474 1.109 . . . . 73.13 110.68 -169.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.529 ' O ' HG12 ' A' ' 56' ' ' ILE . 32.3 Cg_exo -59.2 128.22 26.85 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.307 2.005 . . . . 63.03 111.489 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -63.7 -14.11 40.87 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.472 2.115 . . . . 71.21 112.986 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.32 50.99 4.16 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.109 -0.496 . . . . 75.33 113.091 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 53' ' ' PRO . 47.0 mm -96.65 99.31 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 108.392 -0.966 . . . . 72.4 108.392 171.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 t -77.18 168.59 19.8 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.065 0.546 . . . . 75.35 110.441 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -29.92 69.63 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 115.281 1.586 . . . . 73.44 115.281 -158.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -74.9 -38.55 61.81 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 118.841 0.746 . . . . 65.42 110.068 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.439 HG23 HG12 ' A' ' 8' ' ' ILE . 68.6 mt -62.37 -45.19 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 115.475 -0.784 . . . . 60.32 109.367 173.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.1 -42.41 85.62 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.882 1.273 . . . . 75.1 110.908 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.77 -46.97 87.3 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.795 0.838 . . . . 64.22 110.759 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 52.5 mtm -64.27 -61.82 2.0 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.801 -0.636 . . . . 71.0 110.975 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 68' ' ' ILE . 32.3 m -61.58 -40.6 87.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 118.594 -0.717 . . . . 60.22 111.862 -173.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.3 -34.39 78.01 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.173 0.442 . . . . 74.01 110.775 177.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.66 99.62 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.537 0.523 . . . . 52.11 112.355 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -70.56 -33.79 71.5 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.255 0.622 . . . . 65.0 111.601 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 64' ' ' VAL . 45.8 mt -69.05 -43.38 81.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 N-CA-C 108.572 -0.899 . . . . 64.32 108.572 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -59.3 -41.96 90.2 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.456 0.703 . . . . 74.32 110.608 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.06 -54.17 45.12 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 123.659 0.599 . . . . 64.21 110.588 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.6 t -64.77 -36.72 85.23 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 123.784 0.678 . . . . 51.13 110.824 -173.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.98 -45.54 93.18 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.66 0.784 . . . . 72.21 110.884 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.2 -52.58 63.23 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 124.193 0.933 . . . . 74.24 110.89 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -67.05 -38.37 85.71 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.141 -0.936 . . . . 65.44 111.606 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.7 tt0 -76.3 -25.21 54.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.38 1.072 . . . . 74.42 111.257 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -68.37 -41.4 80.68 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.317 0.647 . . . . 75.11 109.788 169.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.424 HD12 HD21 ' A' ' 22' ' ' LEU . 81.0 mt -67.63 -33.85 75.8 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.499 -0.773 . . . . 74.51 110.71 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.1 mt -64.03 -45.18 90.04 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.007 0.523 . . . . 73.22 110.285 173.129 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -50.6 -54.37 23.29 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.328 1.051 . . . . 74.03 110.944 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.89 -45.93 61.97 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 116.137 -0.483 . . . . 43.1 113.939 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tt -60.19 -56.31 23.12 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.198 0.999 . . . . 72.34 110.159 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.32 -32.07 73.52 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 124.142 0.902 . . . . 52.53 110.984 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -57.07 -46.84 82.17 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 118.209 0.459 . . . . 74.41 111.369 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.23 -45.76 93.2 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.236 -0.893 . . . . 60.43 110.486 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.445 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 8.2 mmp_? -58.78 -51.34 70.41 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.015 0.822 . . . . 75.15 111.07 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 443' ' ' LEU . 96.0 mt -65.13 -30.29 71.21 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.389 1.076 . . . . 74.32 112.241 -175.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.28 -45.21 77.29 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.683 0.614 . . . . 64.43 109.556 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.07 -44.4 84.58 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.162 -0.926 . . . . 72.22 111.237 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 97.2 mt -61.43 -50.68 71.85 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.735 0.814 . . . . 71.43 110.192 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.9 t -63.04 -34.9 78.57 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.94 0.775 . . . . 72.23 111.233 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 23.0 t -61.63 -45.45 94.03 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.062 0.545 . . . . 74.14 109.771 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.21 -41.06 81.9 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.679 0.791 . . . . 75.31 111.53 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 89' ' ' LEU . 82.1 mt -61.5 -41.62 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.93 0.892 . . . . 72.43 110.038 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.03 -24.49 71.73 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.606 -0.725 . . . . 23.1 113.183 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 91' ' ' SER . 13.4 mm100 -84.56 -51.23 7.03 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.245 0.618 . . . . 54.41 111.163 178.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.88 -47.18 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 122.493 0.317 . . . . 75.35 111.612 -174.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.524 ' HA ' HD11 ' A' ' 429' ' ' ILE . 4.4 tt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 108.574 -0.898 . . . . 73.11 108.574 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 429' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.769 0 CA-C-O 120.335 0.112 . . . . 61.25 110.731 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.49 -41.53 90.07 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.827 0.851 . . . . 72.12 111.689 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 39.1 mt-10 -67.91 -48.59 65.55 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.505 0.722 . . . . 74.32 110.723 -177.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 14.8 t -66.26 -35.74 81.18 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.259 0.35 . . . . 72.55 111.138 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 433' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 429' ' ' ILE . 38.9 t -57.7 -54.25 33.95 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 N-CA-C 108.946 -0.761 . . . . 61.13 108.946 171.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -53.16 -35.44 59.79 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.308 1.005 . . . . 65.04 111.947 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 26.4 mmt180 -66.88 -63.47 1.06 Allowed 'General case' 0 C--N 1.356 0.859 0 C-N-CA 122.73 0.412 . . . . 75.41 110.494 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -68.69 -25.13 64.63 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.439 0.533 . . . . 72.25 112.439 -174.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -81.36 -39.47 25.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.101 0.96 . . . . 71.42 110.365 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.76 74.18 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 109.08 -0.711 . . . . 72.31 109.08 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 26.3 mm-40 -59.23 -36.87 76.2 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.165 0.586 . . . . 52.41 111.127 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -63.75 -63.14 1.25 Allowed 'General case' 0 C--N 1.35 0.588 0 CA-C-N 116.199 -0.455 . . . . 74.11 109.943 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 38.3 m -60.36 -35.72 76.34 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.964 0.906 . . . . 71.12 112.671 -173.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -70.85 -50.85 30.87 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.405 0.682 . . . . 71.32 111.513 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.535 HD12 HD21 ' A' ' 34' ' ' LEU . 9.5 mp -70.22 -21.27 63.03 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.63 0.372 . . . . 64.23 110.998 176.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.39 -43.62 18.72 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.962 0.905 . . . . 71.43 110.811 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.5 t -71.94 -31.14 66.03 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.476 -0.565 . . . . 71.13 109.476 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.618 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.8 ttt -61.77 -45.31 94.46 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.834 0.709 . . . . 54.11 109.102 170.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.544 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 38.1 ttm -61.47 -50.49 72.52 Favored 'General case' 0 C--N 1.36 1.034 0 O-C-N 124.207 0.942 . . . . 61.54 112.751 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 36.2 p -62.08 -42.21 98.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.022 0.529 . . . . 75.1 110.765 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -70.35 -40.54 74.01 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.416 -0.811 . . . . 61.12 111.049 176.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.618 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.3 pp -74.64 -23.22 58.65 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 118.264 0.484 . . . . 63.04 110.868 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -75.75 -41.77 52.29 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.87 0.868 . . . . 72.24 109.034 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -63.62 -44.18 94.66 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 114.937 -1.029 . . . . 65.35 110.363 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 453' ' ' THR . . . . . 0.458 ' HB ' HG21 ' A' ' 44' ' ' ILE . 41.3 p -67.15 -57.94 5.81 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 118.23 -0.891 . . . . 73.22 109.626 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.8 p -53.24 -31.26 42.52 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.528 0.731 . . . . 73.34 112.331 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.7 t -59.7 -66.14 0.56 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.079 0.552 . . . . 71.21 111.047 172.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 456' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 2.0 p90 -71.37 -20.72 62.12 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.383 0.512 . . . . 73.14 112.383 -175.745 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 44' ' ' ILE . 56.8 mt -72.08 -43.62 64.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.367 0.667 . . . . 74.44 110.54 177.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.4 t -73.11 -33.18 65.4 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 117.641 0.201 . . . . 72.41 111.021 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.06 -49.04 69.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.264 0.626 . . . . 73.34 110.434 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 460' ' ' GLN . . . . . 0.404 ' NE2' HG21 ' A' ' 52' ' ' THR . 13.3 tm0? -71.16 -28.27 64.14 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.434 -0.803 . . . . 74.43 109.819 -178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' PHE . . . . . 0.508 ' HB2' HG21 ' A' ' 68' ' ' ILE . 55.8 t80 -63.61 -43.05 98.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.479 0.712 . . . . 74.21 109.86 173.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 29.6 m -61.48 -37.41 83.53 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.663 0.602 . . . . 70.11 110.79 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -68.95 -53.93 18.1 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.026 0.38 . . . . 51.5 112.026 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 464' ' ' MET . . . . . 0.477 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.0 ttm -65.39 -34.55 78.58 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.638 0.775 . . . . 64.34 111.335 -172.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -80.91 -59.47 2.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.628 0.771 . . . . 73.44 109.283 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 77.56 1.59 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.001 0.52 . . . . 63.43 111.855 176.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.485 1.32 0 C-N-CA 123.686 0.794 . . . . 73.14 112.486 166.863 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 112.257 0.466 . . . . 70.32 112.257 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -60.03 -33.61 72.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.055 0.942 . . . . 61.32 112.296 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.406 HG23 HD13 ' A' ' 56' ' ' ILE . 33.8 m -74.78 -41.61 59.71 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.574 0.749 . . . . 73.44 111.881 -176.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -74.46 -38.44 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 122.326 0.251 . . . . 60.34 110.677 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.6 -37.2 84.38 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 110.083 -0.34 . . . . 74.2 110.083 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.435 ' CE2' HG11 ' A' ' 64' ' ' VAL . 76.0 t80 -53.98 -52.62 60.14 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.141 0.977 . . . . 73.14 110.976 173.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.463 HG12 HG23 ' A' ' 60' ' ' ILE . 87.6 mt -55.81 -58.96 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 123.928 0.891 . . . . 73.31 111.585 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.58 -42.24 99.44 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 114.665 -1.152 . . . . 72.04 112.28 -170.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 14' ' ' ILE . 67.0 mtm180 -77.04 -32.24 56.8 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 118.621 -0.704 . . . . 74.31 110.836 -176.575 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.512 ' HH2' HD22 ' A' ' 457' ' ' LEU . 21.8 m95 -64.86 -39.89 94.26 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.465 0.575 . . . . 72.4 110.591 173.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 58.9 tt0 -53.58 -48.67 68.98 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.941 0.775 . . . . 72.3 109.342 171.078 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -63.66 -40.65 97.36 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.911 -0.586 . . . . 71.33 112.172 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.4 mt -61.36 -41.08 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.154 0.582 . . . . 61.42 110.344 -176.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.83 -41.88 67.64 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.139 0.575 . . . . 64.43 112.084 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 95.0 mt -64.79 -42.13 95.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.046 0.538 . . . . 64.4 110.812 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.7 mt -69.42 -47.9 62.67 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.87 0.868 . . . . 75.21 109.964 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 75.5 p -55.99 -42.86 77.0 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.838 0.711 . . . . 70.11 111.167 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -58.65 -53.57 56.87 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.256 -0.883 . . . . 71.11 111.114 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 68.3 m -60.25 -51.17 70.69 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.336 0.655 . . . . 75.22 112.173 -174.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.666 ' HB2' HD12 ' A' ' 33' ' ' LEU . 3.9 pp -71.87 -26.5 62.37 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 122.664 0.386 . . . . 65.33 111.782 -176.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.87 -43.35 99.04 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.279 0.362 . . . . 73.03 110.103 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.75 -45.07 90.54 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 115.383 -0.826 . . . . 64.35 109.812 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 32' ' ' LEU . 63.8 mt -66.92 -29.8 69.77 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.67 0.788 . . . . 73.13 112.006 -178.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -73.67 -43.76 58.52 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.583 0.753 . . . . 71.14 111.039 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -79.99 -14.92 58.2 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.029 -0.532 . . . . 64.45 111.031 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -78.4 -25.27 46.09 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.503 0.721 . . . . 75.32 109.694 167.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.42 -5.8 62.88 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.834 -0.621 . . . . 40.22 113.384 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.95 88.05 2.92 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 109.54 -0.541 . . . . 74.14 109.54 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.465 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 22.3 m95 -64.68 -37.8 88.82 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 115.07 -0.968 . . . . 71.23 109.931 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -55.25 -44.35 75.47 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.377 1.071 . . . . 64.35 111.868 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 24' ' ' LEU . 84.1 mt -72.19 -39.56 68.53 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.782 -0.645 . . . . 74.21 110.74 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 21' ' ' LEU . 38.0 tp -56.75 -46.01 81.66 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.319 1.048 . . . . 75.53 111.478 174.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.556 HD21 HD12 ' A' ' 443' ' ' LEU . 55.6 mt -77.19 -24.22 51.4 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.511 1.124 . . . . 63.24 110.901 -175.23 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.91 -37.82 82.16 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.896 -0.593 . . . . 72.21 110.085 172.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -82.86 -21.58 34.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.204 0.602 . . . . 74.43 111.379 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' HG3' ' HG3' ' A' ' 446' ' ' MET . 30.3 tt0 -50.89 -52.89 37.46 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.371 1.068 . . . . 71.15 111.402 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.7 m -60.86 -45.42 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 114.791 -1.095 . . . . 75.44 111.601 -172.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 p -69.69 -41.1 75.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.306 0.642 . . . . 72.43 110.986 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 32.8 t80 -62.17 -63.66 1.17 Allowed 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.953 1.301 . . . . 73.45 111.737 -177.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.75 -40.61 93.08 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.628 -0.714 . . . . 75.4 110.721 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -53.17 -48.3 68.12 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.263 0.625 . . . . 72.11 111.113 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.472 ' HA ' HG22 ' A' ' 46' ' ' THR . 71.1 m -62.15 -36.82 83.0 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 124.048 0.842 . . . . 74.13 111.534 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.36 -51.26 73.17 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 123.276 0.36 . . . . 75.33 110.808 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.98 -31.59 72.91 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 112.605 0.595 . . . . 74.03 112.605 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.5 t -84.23 -23.78 30.31 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 118.413 0.551 . . . . 61.21 112.166 -174.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -77.59 -33.3 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 118.54 0.609 . . . . 71.24 109.916 168.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.454 ' HG3' ' HE1' ' A' ' 456' ' ' TYR . 23.6 mmt -91.35 0.07 57.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.655 0.782 . . . . 72.11 112.781 -178.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.65 -30.53 67.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.449 0.642 . . . . 60.42 109.444 167.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -104.76 -4.93 21.74 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.907 0.883 . . . . 64.53 110.954 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 54.81 36.02 25.52 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.099 1.36 . . . . 73.23 112.719 171.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m 69.93 112.6 0.03 OUTLIER Pre-proline 0 CA--C 1.559 1.322 0 C-N-CA 124.395 1.078 . . . . 63.44 110.818 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.515 ' O ' HG12 ' A' ' 56' ' ' ILE . 33.6 Cg_endo -63.34 144.78 91.97 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.353 2.036 . . . . 75.43 111.681 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.31 2.99 3.31 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 123.04 2.493 . . . . 54.44 114.945 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -104.83 28.14 16.02 Favored Glycine 0 C--N 1.345 1.05 0 CA-C-N 117.629 0.195 . . . . 51.35 113.365 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 53' ' ' PRO . 37.2 mm -81.59 106.5 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 123.044 0.538 . . . . 74.23 109.662 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 t -75.78 166.9 22.85 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.174 0.59 . . . . 74.31 110.167 177.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.558 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -67.82 -23.42 65.18 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 113.28 0.844 . . . . 74.21 113.28 -165.841 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.3 t -70.38 -48.57 55.6 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.496 0.318 . . . . 51.11 110.418 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.463 HG23 HG12 ' A' ' 8' ' ' ILE . 81.6 mt -64.23 -40.81 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.644 0.777 . . . . 72.23 110.009 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.32 -39.95 92.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.942 1.297 . . . . 75.22 111.114 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.23 -41.83 76.49 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.162 0.585 . . . . 73.12 110.922 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 58.6 mtm -60.14 -55.2 36.77 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.576 0.547 . . . . 72.2 110.087 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.9 m -71.42 -28.36 31.65 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 CA-C-N 115.483 -0.781 . . . . 74.31 111.549 -174.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.94 91.9 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 118.201 0.455 . . . . 63.32 110.091 172.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -58.9 -47.34 91.08 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-N 115.649 -0.705 . . . . 53.23 111.934 171.299 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -66.54 -36.33 82.42 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.239 0.616 . . . . 74.02 112.35 -177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 64' ' ' VAL . 68.7 mt -70.97 -42.01 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.161 -0.681 . . . . 75.14 109.161 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -42.58 97.99 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.249 0.62 . . . . 73.15 110.464 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 78.8 mt-30 -61.59 -50.43 72.62 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.028 -0.533 . . . . 75.35 110.75 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.7 t -68.54 -34.21 75.45 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 123.796 0.685 . . . . 62.22 110.672 -173.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.8 -42.46 95.01 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.292 0.637 . . . . 74.11 110.969 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.71 -48.77 70.87 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.43 0.692 . . . . 74.42 110.588 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 87.8 m-20 -66.76 -40.61 88.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.276 0.631 . . . . 74.44 111.006 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.505 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.0 tt0 -74.47 -25.3 59.31 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.452 1.101 . . . . 52.44 111.159 -177.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -69.26 -42.51 75.5 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.47 0.708 . . . . 65.32 109.567 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.64 -33.23 75.4 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.473 -0.785 . . . . 65.25 111.529 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 75' ' ' GLU . 89.0 mt -66.57 -45.39 79.44 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.793 -0.447 . . . . 74.14 109.793 174.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.54 -50.76 67.14 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.629 0.772 . . . . 71.04 110.588 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.64 -52.3 35.39 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 116.451 -0.341 . . . . 73.0 113.645 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 6.6 tt -60.67 -57.71 11.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.124 0.969 . . . . 63.01 110.247 -175.181 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.35 -30.3 71.46 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-O 118.648 -0.692 . . . . 71.21 111.164 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.77 -42.33 98.85 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 118.685 0.675 . . . . 74.13 111.398 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -60.71 -45.91 92.43 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.783 -0.644 . . . . 65.31 110.265 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 1.2 mmp_? -62.68 -46.27 88.92 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.654 -0.703 . . . . 74.35 111.214 -178.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.04 -38.85 92.58 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.044 0.938 . . . . 75.52 111.128 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.06 -45.52 93.2 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.73 0.812 . . . . 75.05 110.344 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 41.1 mt-10 -65.14 -48.29 74.06 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.154 -0.93 . . . . 74.31 110.708 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.21 -36.17 77.08 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.144 0.577 . . . . 74.1 110.619 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -69.12 -34.06 74.44 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.031 0.933 . . . . 74.15 110.759 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.7 t -68.81 -37.28 79.11 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.202 0.601 . . . . 65.45 110.227 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 72.6 mt -66.29 -55.54 15.58 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.048 -0.524 . . . . 71.3 109.91 177.797 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.94 -42.4 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.994 1.318 . . . . 64.4 111.334 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.77 -34.12 69.93 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 116.211 -0.449 . . . . 34.34 113.552 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -86.85 -44.14 11.93 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 122.954 0.502 . . . . 61.21 111.324 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.574 HG23 HG22 ' A' ' 433' ' ' VAL . 21.6 m -90.16 -30.27 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 113.189 0.811 . . . . 74.34 113.189 -167.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 108.02 -1.104 . . . . 63.45 108.02 174.741 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 119.684 -0.198 . . . . 75.51 110.886 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.21 -50.32 73.24 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.316 0.646 . . . . 73.12 110.971 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 431' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 29.5 mt-10 -65.82 -54.19 30.06 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.463 1.102 . . . . 75.51 111.316 -173.204 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.1 t -62.84 -39.39 94.22 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 111.759 0.281 . . . . 63.01 111.759 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 433' ' ' VAL . . . . . 0.574 HG22 HG23 ' A' ' 96' ' ' VAL . 51.0 t -64.77 -45.88 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.777 0.431 . . . . 60.12 110.138 174.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.03 -30.33 71.42 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.641 0.776 . . . . 70.45 111.786 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 435' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 79.2 mmt-85 -69.38 -55.81 9.3 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.347 0.404 . . . . 73.54 109.969 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -66.44 -30.2 70.51 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.227 0.329 . . . . 74.34 111.679 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -74.0 -43.2 58.85 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.28 0.632 . . . . 72.02 110.444 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.61 72.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.644 0.378 . . . . 74.12 110.641 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -60.75 -40.17 91.47 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.421 0.45 . . . . 71.52 111.049 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -57.71 -59.23 5.53 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 109.463 -0.569 . . . . 70.01 109.463 174.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 86.1 m -59.72 -33.28 71.43 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.168 0.987 . . . . 52.43 112.782 -173.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -75.25 -48.53 22.92 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.678 0.791 . . . . 64.35 111.443 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 443' ' ' LEU . . . . . 0.556 HD12 HD21 ' A' ' 34' ' ' LEU . 9.3 mp -69.35 -21.89 63.79 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.641 0.376 . . . . 51.51 110.478 175.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.21 -42.8 20.22 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.588 1.155 . . . . 74.21 111.419 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.0 t -71.06 -35.87 72.08 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.276 -0.639 . . . . 73.21 109.276 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 446' ' ' MET . . . . . 0.676 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.7 ttt -58.91 -46.24 88.38 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.849 0.718 . . . . 74.14 109.49 171.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' MET . . . . . 0.471 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 19.6 ttm -61.35 -54.09 48.25 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.282 0.989 . . . . 72.44 112.662 -177.437 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 30.7 p -58.49 -40.17 82.02 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.932 0.493 . . . . 64.31 111.163 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 449' ' ' LYS . . . . . 0.449 ' HB3' ' NZ ' ' A' ' 449' ' ' LYS . 8.9 mtpm? -69.36 -45.92 68.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.456 -0.793 . . . . 62.21 111.454 177.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' LEU . . . . . 0.676 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -72.34 -19.75 61.59 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.057 0.223 . . . . 61.41 111.039 -176.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -75.67 -47.98 24.0 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.879 0.872 . . . . 64.33 109.415 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -61.07 -44.05 97.96 Favored 'General case' 0 C--O 1.25 1.13 0 CA-C-N 114.67 -1.15 . . . . 74.43 109.465 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 54.6 p -64.36 -60.47 3.14 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 118.434 -0.794 . . . . 63.15 110.352 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.1 p -52.13 -30.48 26.67 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.459 0.704 . . . . 73.44 112.277 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 455' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 458' ' ' THR . 34.9 t -60.45 -65.29 0.71 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 122.968 0.507 . . . . 50.13 110.423 172.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 456' ' ' TYR . . . . . 0.454 ' HE1' ' HG3' ' A' ' 48' ' ' MET . 6.4 p90 -71.28 -20.63 62.19 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 112.502 0.556 . . . . 64.22 112.502 -176.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 457' ' ' LEU . . . . . 0.512 HD22 ' HH2' ' A' ' 11' ' ' TRP . 64.9 mt -75.54 -38.25 59.44 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.711 0.804 . . . . 73.02 110.393 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 455' ' ' SER . 2.5 t -73.91 -35.12 64.61 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 110.164 -0.31 . . . . 71.31 110.164 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.33 -43.88 89.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.322 0.582 . . . . 72.31 110.097 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -57.64 -43.96 85.25 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.708 -1.133 . . . . 72.35 110.673 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -63.93 -38.18 90.13 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.388 -0.824 . . . . 73.11 110.807 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 4.3 m -63.0 -47.03 84.88 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 123.314 0.384 . . . . 64.32 110.891 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.06 -52.08 21.56 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.401 0.438 . . . . 73.11 111.799 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 464' ' ' MET . . . . . 0.426 ' SD ' HG23 ' A' ' 64' ' ' VAL . 53.8 ttm -62.14 -35.66 79.43 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.345 0.658 . . . . 73.51 111.617 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -79.47 -59.78 2.62 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.051 -0.722 . . . . 51.43 109.051 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.76 80.79 1.99 Allowed 'General case' 0 CA--C 1.565 1.554 0 N-CA-C 113.429 0.9 . . . . 61.33 113.429 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.49 1.565 0 O-C-N 120.839 -1.163 . . . . 73.21 109.354 161.942 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 CA--C 1.551 1.004 0 CA-C-O 121.725 0.774 . . . . 75.51 110.848 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.9 p -68.19 -50.02 57.01 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.406 -0.815 . . . . 72.31 111.423 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -57.49 -41.89 81.63 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.602 0.761 . . . . 54.41 111.159 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 24.8 m -69.36 -43.53 73.4 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.898 -1.046 . . . . 75.54 112.193 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -70.21 -42.61 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 118.024 0.375 . . . . 53.53 111.593 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.85 -33.95 76.74 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.775 0.43 . . . . 73.2 110.463 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.464 ' HB3' ' O ' ' A' ' 4' ' ' THR . 58.2 t80 -53.56 -52.1 60.82 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.135 0.974 . . . . 74.52 110.611 169.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 4' ' ' THR . 86.1 mt -57.47 -57.01 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.911 0.884 . . . . 75.04 111.598 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 65.0 m-80 -59.02 -41.94 88.98 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.355 0.662 . . . . 75.21 112.686 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.8 mtm180 -74.07 -39.37 63.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 118.886 -0.578 . . . . 61.52 111.833 -175.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.423 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 77.4 m95 -65.22 -34.55 78.63 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.415 0.552 . . . . 74.42 111.155 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -57.94 -46.61 84.78 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 123.909 0.756 . . . . 75.31 109.61 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 83.7 mmt-85 -58.59 -51.12 71.26 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 123.771 0.669 . . . . 64.22 110.558 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.4 mt -54.26 -45.46 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.325 1.05 . . . . 44.25 112.013 -174.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.58 -41.79 65.3 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 112.625 0.602 . . . . 54.02 112.625 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.88 -39.99 91.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.836 0.454 . . . . 74.31 111.123 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.7 mt -67.41 -53.71 26.81 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 123.927 0.891 . . . . 71.12 109.661 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 47.0 p -54.7 -45.35 73.96 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.173 0.921 . . . . 73.13 111.809 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -58.19 -51.67 68.76 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.149 0.906 . . . . 60.2 111.722 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 67.2 m -73.38 -38.79 65.54 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.993 0.738 . . . . 51.31 112.993 -173.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.514 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -74.67 -19.92 60.08 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.1 0.409 . . . . 63.31 110.71 177.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -69.01 -41.75 77.36 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 110.035 -0.357 . . . . 71.32 110.035 169.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.87 -39.73 74.86 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.846 0.716 . . . . 64.41 109.725 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 21' ' ' LEU . 66.7 mt -72.65 -37.53 67.93 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.098 -0.955 . . . . 64.33 111.839 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.95 85.75 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.432 0.693 . . . . 23.44 111.174 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -73.3 -28.7 62.24 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.196 -0.457 . . . . 74.13 110.873 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.591 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 4.1 mmm180 -73.15 -19.52 61.11 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.48 0.712 . . . . 71.42 111.723 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.89 7.88 85.02 Favored Glycine 0 C--N 1.347 1.142 0 O-C-N 123.452 0.47 . . . . 42.32 112.789 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 55.5 mm-40 -71.07 85.88 0.73 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.442 0.697 . . . . 60.01 109.897 176.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.421 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 17.7 m95 -75.44 -39.47 58.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.623 0.369 . . . . 75.22 110.714 -176.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.64 -51.31 67.65 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.947 0.899 . . . . 74.53 109.974 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 88.7 mt -69.64 -39.72 76.95 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.109 -1.405 . . . . 71.13 111.124 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' A' ' 21' ' ' LEU . 63.8 tp -55.88 -45.56 78.55 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.952 0.901 . . . . 72.42 111.31 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.622 HD21 HD12 ' A' ' 443' ' ' LEU . 84.1 mt -77.82 -25.84 49.13 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.275 -0.875 . . . . 54.12 111.719 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -66.33 -37.57 85.67 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 121.08 0.467 . . . . 74.54 110.043 172.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 79.5 mm-40 -80.27 -28.54 38.35 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.475 -0.784 . . . . 64.42 111.346 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -50.48 -57.15 8.73 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.877 1.271 . . . . 75.31 111.707 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.62 -47.41 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 124.136 0.898 . . . . 62.12 111.86 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 p -68.71 -37.85 79.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.138 0.575 . . . . 51.14 111.367 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 27.5 t80 -68.31 -59.06 3.47 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.114 0.965 . . . . 72.23 111.455 -175.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.42 -41.29 93.66 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 124.15 0.906 . . . . 65.21 110.26 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -63.79 -34.45 77.93 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.589 0.556 . . . . 63.22 112.028 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.5 m -65.69 -42.39 91.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.665 0.386 . . . . 74.03 110.891 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.566 HG23 HD21 ' A' ' 457' ' ' LEU . 59.0 mt -64.58 -43.98 96.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-O 121.736 0.779 . . . . 73.02 110.431 176.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.87 -48.38 82.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.867 -1.06 . . . . 60.14 110.439 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 t -71.95 -27.93 63.12 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 118.932 -0.556 . . . . 70.03 112.007 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -75.54 -31.27 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 CA-C-N 118.769 0.713 . . . . 72.43 111.386 175.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 24.5 mmt -88.08 -22.47 24.14 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.834 0.679 . . . . 65.44 112.834 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -83.72 -28.68 28.08 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.944 0.498 . . . . 74.3 110.266 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HG3' HH22 ' A' ' 10' ' ' ARG . 7.9 tmtm? -72.75 -38.85 67.24 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.293 -1.003 . . . . 73.51 108.293 169.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 72.97 133.21 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 126.188 1.795 . . . . 74.21 111.292 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.424 HG23 ' CE1' ' A' ' 7' ' ' PHE . 98.8 m -52.54 112.84 3.76 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.743 1.217 . . . . 63.2 111.365 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HG2' HD11 ' A' ' 56' ' ' ILE . 30.8 Cg_endo -63.86 146.64 91.91 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.483 2.122 . . . . 63.31 111.98 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 27.5 Cg_exo -65.39 -17.47 57.9 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.622 2.214 . . . . 72.21 113.547 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.58 62.83 3.36 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 116.6 -0.273 . . . . 71.23 113.178 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.523 HD11 ' HG2' ' A' ' 53' ' ' PRO . 46.0 mm -117.29 114.88 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.928 0.891 . . . . 53.42 108.782 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -75.74 175.49 8.63 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.368 0.267 . . . . 40.34 110.444 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -66.79 -32.48 73.8 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.229 0.612 . . . . 72.14 111.224 -173.596 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' MET . 16.5 m -70.68 -47.01 62.08 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.106 0.562 . . . . 72.4 110.506 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.516 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 93.1 mt -69.03 -36.52 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-N 115.289 -0.869 . . . . 72.34 110.645 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.47 -41.1 93.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.535 0.734 . . . . 54.3 110.206 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.36 -39.71 92.65 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.439 0.696 . . . . 72.1 110.804 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.516 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 45.5 mtm -60.74 -56.35 22.24 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.064 0.545 . . . . 62.33 110.297 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 68' ' ' ILE . 25.6 m -73.15 -23.47 20.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.636 0 CA-C-N 115.397 -0.819 . . . . 70.34 112.201 -175.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.23 99.35 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.397 -0.594 . . . . 64.24 109.397 171.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.63 -43.11 99.72 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-N 115.221 -0.899 . . . . 35.5 112.264 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.0 -42.93 97.02 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.619 0.6 . . . . 74.41 112.619 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 64' ' ' VAL . 64.2 mt -68.8 -41.69 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.363 -0.606 . . . . 72.31 109.363 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -45.54 89.31 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.475 0.71 . . . . 72.05 110.894 178.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -58.44 -52.93 63.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.113 0.565 . . . . 74.51 110.094 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.6 -27.37 66.85 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 115.226 -0.897 . . . . 51.11 111.429 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.74 -44.87 69.36 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.281 0.632 . . . . 74.34 111.05 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.1 -55.03 37.3 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.183 0.927 . . . . 74.34 110.224 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -61.27 -42.26 98.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.124 -0.944 . . . . 33.24 111.846 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.7 tt0 -75.9 -24.69 55.64 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.776 0.831 . . . . 74.24 111.898 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -72.89 -36.56 67.34 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.15 0.5 . . . . 53.32 110.086 171.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.75 -32.48 71.04 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.651 -0.704 . . . . 72.11 110.156 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.4 mt -64.7 -44.26 90.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.105 0.562 . . . . 73.14 110.174 171.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -54.49 -56.75 15.56 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 124.204 0.94 . . . . 74.31 110.478 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.88 -46.6 93.26 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 123.518 0.511 . . . . 72.14 113.983 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.08 -52.56 63.41 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.938 0.895 . . . . 70.41 110.548 -176.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.444 HD22 HD23 ' A' ' 443' ' ' LEU . 81.9 mt -70.07 -25.32 63.48 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.785 -0.643 . . . . 64.44 111.3 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.75 -41.77 99.36 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 118.452 0.569 . . . . 64.34 110.264 172.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -59.48 -50.43 73.97 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.925 0.765 . . . . 75.03 110.003 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -60.83 -51.46 69.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.633 0.773 . . . . 75.25 111.905 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.21 -34.36 77.48 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.943 0.897 . . . . 54.23 111.955 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.23 -44.8 82.75 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.775 0.672 . . . . 74.14 110.488 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 48.2 mt-10 -63.17 -51.12 67.69 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.616 -0.72 . . . . 60.25 110.375 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.9 mt -58.98 -41.9 88.69 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.722 0.809 . . . . 73.11 111.742 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.6 t -65.0 -37.61 88.22 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.0 0.92 . . . . 71.12 111.541 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.0 t -70.2 -30.39 67.49 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.844 -0.617 . . . . 72.04 110.53 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 92.2 mt -72.89 -41.78 64.3 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.274 0.629 . . . . 64.44 110.602 175.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.42 -36.78 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.238 1.015 . . . . 75.42 110.535 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.37 -13.98 52.15 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.681 -0.69 . . . . 60.3 113.953 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -106.2 -52.5 2.79 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.004 0.922 . . . . 64.02 110.733 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 433' ' ' VAL . 31.8 m -74.99 -36.89 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 116.053 -0.521 . . . . 73.11 111.782 -170.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.0 tt -82.34 110.84 17.86 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.101 -1.074 . . . . 61.4 108.101 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.581 ' HB2' ' HG2' ' A' ' 107' ' ' PRO . 60.6 m-85 -86.71 97.68 10.72 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.571 -0.9 . . . . 63.12 108.571 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.26 13.31 11.78 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.199 -0.91 . . . . 62.0 110.922 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 145.12 -78.53 0.25 Allowed Glycine 0 C--N 1.343 0.93 0 N-CA-C 110.501 -1.04 . . . . 42.24 110.501 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -58.29 167.58 4.6 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 123.291 2.661 . . . . 54.42 113.387 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.6 m 67.47 10.99 8.15 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.91 1.284 . . . . 70.53 111.809 -174.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.93 140.25 29.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.914 0.885 . . . . 62.22 110.308 -172.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.98 -41.75 86.89 Favored Glycine 0 C--N 1.353 1.473 0 O-C-N 123.445 0.466 . . . . 53.04 112.431 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 pp -109.2 164.93 12.0 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.78 0.832 . . . . 51.51 109.022 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.8 t -88.06 110.38 35.16 Favored Pre-proline 0 CA--C 1.546 0.817 0 N-CA-C 108.568 -0.901 . . . . 42.05 108.568 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.581 ' HG2' ' HB2' ' A' ' 98' ' ' PHE . 15.9 Cg_exo -70.24 82.73 0.83 Allowed 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.881 2.388 . . . . 74.45 110.999 174.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -82.56 -15.63 51.55 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.251 -0.886 . . . . 75.43 111.519 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.41 68.76 2.07 Favored Glycine 0 C--N 1.349 1.29 0 N-CA-C 112.222 -0.351 . . . . 53.43 112.222 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.9 m -68.47 122.88 19.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.519 0.728 . . . . 72.01 109.891 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.42 18.07 63.05 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.612 0.57 . . . . 61.35 112.606 -173.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -174.31 41.12 0.13 Allowed Glycine 0 C--N 1.349 1.267 0 CA-C-O 119.928 -0.374 . . . . 73.0 112.254 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.453 HG21 HD12 ' A' ' 429' ' ' ILE . 4.6 mp -72.62 134.83 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 N-CA-C 109.07 -0.715 . . . . 61.2 109.07 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -67.65 116.62 8.57 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.17 0.588 . . . . 75.11 110.48 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.09 171.11 14.19 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 111.61 -0.596 . . . . 70.41 111.61 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 21.4 t -68.69 -16.15 63.74 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.063 0.945 . . . . 75.04 111.704 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.453 HD12 HG21 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -48.48 -44.72 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.702 1.201 . . . . 73.25 111.113 171.657 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.26 -35.55 75.77 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.496 0.718 . . . . 73.44 111.626 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.65 -50.36 31.29 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.64 0.776 . . . . 71.45 110.601 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.4 t -67.42 -36.15 80.68 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.134 0.271 . . . . 62.54 111.396 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 96' ' ' VAL . 65.9 t -64.8 -47.36 88.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 123.342 0.657 . . . . 75.11 110.201 174.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.49 76.65 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.363 0.665 . . . . 72.43 111.715 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 439' ' ' GLN . 30.1 mmt180 -67.58 -56.72 8.35 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.445 0.466 . . . . 72.43 110.887 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -64.5 -35.77 82.02 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 123.443 0.464 . . . . 74.2 112.175 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -71.53 -39.44 70.72 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.411 0.684 . . . . 70.02 110.764 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.89 47.28 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.302 0.376 . . . . 55.02 110.643 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.413 ' O ' HD13 ' A' ' 443' ' ' LEU . 28.1 mm-40 -60.0 -40.33 88.87 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.602 0.564 . . . . 54.22 110.641 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.83 -61.48 2.58 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 115.741 -0.663 . . . . 74.44 110.397 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.2 m -57.16 -37.35 71.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.963 0.905 . . . . 74.42 112.511 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.94 -50.72 54.29 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.339 0.655 . . . . 53.23 111.307 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.622 HD12 HD21 ' A' ' 34' ' ' LEU . 9.2 mp -72.61 -19.54 61.45 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 122.754 0.422 . . . . 73.33 111.205 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.3 -47.41 14.59 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.525 1.13 . . . . 63.45 111.298 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -66.8 -33.22 75.13 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.669 -0.493 . . . . 34.51 109.669 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.63 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -59.56 -46.69 88.17 Favored 'General case' 0 C--N 1.362 1.117 0 O-C-N 123.948 0.78 . . . . 63.51 109.913 171.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.563 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 30.8 ttm -64.35 -52.0 60.56 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.093 0.871 . . . . 72.12 112.611 -176.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 29.5 p -57.3 -42.87 82.61 Favored 'General case' 0 C--O 1.243 0.748 0 O-C-N 123.674 0.609 . . . . 74.12 111.073 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 453' ' ' THR . 59.7 mtpt -72.01 -40.16 68.67 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.553 -0.749 . . . . 65.23 111.538 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.63 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.4 pp -72.82 -23.59 60.8 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 118.779 0.718 . . . . 75.33 111.137 -176.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.86 -39.14 31.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.315 0.646 . . . . 64.1 109.274 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.87 -42.4 94.87 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.731 0.813 . . . . 62.04 110.371 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.429 ' HB ' HG21 ' A' ' 44' ' ' ILE . 40.0 p -65.03 -60.41 3.07 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 118.39 -0.814 . . . . 62.23 109.542 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 60.1 p -52.42 -31.18 33.1 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.67 0.788 . . . . 70.5 112.405 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.0 t -57.82 -67.52 0.33 Allowed 'General case' 0 CA--C 1.55 0.981 0 O-C-N 123.623 0.577 . . . . 65.52 111.16 171.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 456' ' ' TYR . . . . . 0.432 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 2.8 p90 -70.17 -19.67 63.18 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 112.769 0.655 . . . . 75.15 112.769 -177.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.566 HD21 HG23 ' A' ' 44' ' ' ILE . 62.6 mt -71.51 -44.72 64.15 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.37 0.668 . . . . 75.13 110.537 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 10.0 t -72.95 -31.52 64.63 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.401 0.438 . . . . 75.4 111.137 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.07 -49.99 67.89 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.367 0.417 . . . . 74.55 110.327 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -63.27 -32.55 73.99 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.076 -0.966 . . . . 42.1 110.867 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.57 -50.75 64.0 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.792 0.437 . . . . 63.23 110.425 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 24.1 m -62.45 -37.53 86.23 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.848 0.718 . . . . 54.23 111.377 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.95 -52.51 14.28 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 116.297 -0.411 . . . . 71.02 111.376 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.7 ttm -61.63 -35.28 77.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.72 0.808 . . . . 72.41 111.167 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -76.82 -64.16 1.19 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.886 -0.783 . . . . 75.2 108.886 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.97 78.51 1.56 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.538 0.685 . . . . 71.14 111.946 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 CA--C 1.561 1.402 0 CA-C-O 118.644 -0.694 . . . . 55.13 110.996 162.386 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.455 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 22.5 ptt? . . . . . 0 CA--C 1.551 1.006 0 CA-C-O 120.752 0.31 . . . . 75.4 110.474 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.0 p -64.21 -58.87 5.31 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.753 0.821 . . . . 74.51 112.501 -174.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -65.8 -32.55 74.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.861 0.865 . . . . 54.14 111.393 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 1' ' ' MET . 39.2 m -76.39 -40.36 51.14 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.889 -0.596 . . . . 55.45 111.6 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.87 -37.15 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 CA-C-N 118.635 0.652 . . . . 72.33 110.801 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.75 -37.91 85.57 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.761 -0.459 . . . . 72.35 109.761 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' ' 4' ' ' THR . 64.4 t80 -54.78 -59.03 5.27 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.203 1.001 . . . . 71.13 110.659 171.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.557 HG12 HG23 ' A' ' 60' ' ' ILE . 94.4 mt -55.07 -58.98 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 124.496 1.118 . . . . 65.23 111.644 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 3.9 m-20 -60.53 -49.41 77.66 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.371 -1.286 . . . . 62.45 111.494 -170.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 14' ' ' ILE . 38.4 mtm180 -69.95 -36.94 75.65 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 118.468 -0.777 . . . . 73.34 111.496 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.434 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 24.4 m95 -58.59 -42.64 88.54 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 118.485 0.584 . . . . 64.34 110.741 173.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -58.31 -45.4 88.09 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.873 0.733 . . . . 74.15 110.088 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 32.9 mmt180 -66.87 -32.96 74.56 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 123.8 0.688 . . . . 70.43 111.407 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.6 mt -64.08 -44.31 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.405 0.682 . . . . 71.24 109.802 178.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.44 -43.32 85.95 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.591 0.756 . . . . 61.11 111.736 178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.16 -47.87 84.2 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.301 -0.863 . . . . 64.24 110.633 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 80.8 mt -62.92 -54.6 36.1 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.694 0.798 . . . . 63.24 110.602 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.448 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 61.5 p -53.11 -43.85 67.18 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.885 0.874 . . . . 74.44 111.613 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -62.68 -51.03 68.81 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.527 -0.76 . . . . 74.53 111.082 176.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -63.35 -45.08 92.84 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.495 0.718 . . . . 62.53 112.3 -174.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.574 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -79.86 -21.67 43.82 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.65 0.38 . . . . 72.13 111.308 -176.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.58 -43.85 97.79 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.55 -0.537 . . . . 72.24 109.55 169.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.84 -45.12 93.41 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.773 -1.103 . . . . 72.51 110.154 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.64 -33.67 76.14 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.487 0.715 . . . . 55.3 111.824 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.76 64.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.515 0.726 . . . . 51.15 110.973 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -76.3 -15.61 59.95 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.56 0.344 . . . . 54.42 111.134 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -80.7 -24.52 38.78 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.749 0.82 . . . . 70.41 110.919 172.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.17 7.13 73.86 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 123.556 0.535 . . . . 43.12 112.762 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.3 75.06 4.83 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.933 0.893 . . . . 73.11 109.575 174.201 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -69.24 -33.01 72.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.294 -0.866 . . . . 75.52 111.168 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.54 -50.36 72.09 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.107 0.963 . . . . 74.54 110.089 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.6 mt -73.6 -35.22 65.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.141 -1.39 . . . . 74.35 110.678 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.6 tp -58.65 -48.8 79.82 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.461 0.705 . . . . 73.23 110.509 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.585 HD21 HD12 ' A' ' 443' ' ' LEU . 63.6 mt -75.82 -23.81 55.8 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.218 -0.901 . . . . 64.34 111.185 -177.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -69.39 -38.47 78.0 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.939 -0.393 . . . . 71.35 109.939 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -85.4 -15.18 43.96 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.881 -0.6 . . . . 63.43 111.668 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -53.06 -59.02 5.06 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.422 1.089 . . . . 70.2 110.721 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.82 -39.34 79.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 114.731 -1.122 . . . . 52.1 111.378 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -63.17 -47.58 82.05 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.109 0.963 . . . . 63.11 110.49 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.448 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.1 t80 -67.87 -57.66 5.88 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 125.098 1.359 . . . . 73.42 111.762 -173.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.21 -40.05 92.54 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.947 0.779 . . . . 73.12 110.832 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.54 -43.16 97.89 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.178 0.299 . . . . 61.33 111.283 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -59.94 -40.67 89.75 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 123.589 0.556 . . . . 65.53 111.307 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.582 ' O ' ' HG2' ' A' ' 48' ' ' MET . 63.0 mt -60.86 -60.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-N 115.745 -0.661 . . . . 62.11 109.383 173.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.49 -30.94 63.55 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.273 0.629 . . . . 75.21 112.301 -174.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 t -84.81 -22.99 29.31 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 112.761 0.652 . . . . 54.04 112.761 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.56 HG23 ' SD ' ' A' ' 48' ' ' MET . 34.1 m -77.07 -29.11 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 CA-C-N 119.16 0.891 . . . . 73.3 110.213 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 62.6 mmm -85.75 -19.67 30.43 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.403 0.52 . . . . 74.21 112.403 -175.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.07 -24.55 62.35 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 118.191 0.451 . . . . 60.43 110.751 172.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -78.02 -12.06 59.96 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.474 0.71 . . . . 73.24 110.9 169.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 59.82 27.53 16.86 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.32 1.448 . . . . 74.2 111.579 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m 61.77 98.94 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.172 0 O-C-N 124.434 1.084 . . . . 74.43 110.251 -170.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.515 ' O ' HG12 ' A' ' 56' ' ' ILE . 48.8 Cg_exo -57.23 124.74 16.88 Favored 'Trans proline' 0 C--N 1.371 1.719 0 C-N-CA 122.541 2.161 . . . . 65.2 110.626 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 27.3 Cg_exo -64.99 -8.0 16.88 Favored 'Trans proline' 0 C--N 1.368 1.574 0 C-N-CA 122.674 2.249 . . . . 65.44 114.754 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.61 58.49 5.0 Favored Glycine 0 C--N 1.353 1.511 0 C-N-CA 122.674 0.178 . . . . 73.0 112.695 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 53' ' ' PRO . 50.9 mm -122.49 117.83 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.45 1.1 . . . . 54.32 109.142 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.6 t -75.58 166.2 23.94 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.427 -0.583 . . . . 75.21 109.427 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -68.26 -25.66 65.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.827 0.451 . . . . 62.5 112.081 -169.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.6 t -70.52 -46.61 63.3 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.022 0.529 . . . . 73.34 110.276 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.557 HG23 HG12 ' A' ' 8' ' ' ILE . 91.2 mt -64.07 -41.97 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.29 0.636 . . . . 71.53 110.286 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -60.84 -38.86 86.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.495 1.118 . . . . 74.44 111.052 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.37 -47.23 77.11 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.809 0.843 . . . . 63.24 110.761 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.9 mtm -56.87 -52.95 63.14 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.856 0.723 . . . . 65.04 109.98 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.3 m -71.99 -29.89 34.75 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 115.249 -0.887 . . . . 73.41 111.714 -175.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.62 -35.81 78.95 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.325 0.511 . . . . 71.32 110.151 173.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.3 -46.38 93.03 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 115.449 -0.796 . . . . 75.05 111.57 171.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.2 m-85 -65.45 -34.38 78.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.108 0.563 . . . . 72.32 112.235 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 64' ' ' VAL . 51.8 mt -73.98 -38.03 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.576 -0.527 . . . . 51.32 109.576 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -38.21 89.79 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.587 -0.523 . . . . 73.12 109.587 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -65.83 -52.19 52.57 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 115.188 -0.915 . . . . 73.45 110.535 176.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 68' ' ' ILE . 6.1 t -63.75 -37.44 87.39 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 123.658 0.599 . . . . 74.12 110.814 -174.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.7 -46.33 85.97 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.38 0.672 . . . . 75.04 110.842 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.26 -51.32 66.64 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.176 0.922 . . . . 44.12 110.814 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 74.6 m-20 -65.89 -41.88 90.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.574 0.75 . . . . 52.32 110.955 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.511 ' HA ' HD12 ' A' ' 78' ' ' LEU . 37.0 tt0 -73.71 -26.62 60.79 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.193 0.997 . . . . 74.21 111.25 -178.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -68.39 -41.76 80.05 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.726 0.81 . . . . 72.14 109.641 171.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.29 -31.99 70.85 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.51 -0.768 . . . . 62.11 110.508 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 75' ' ' GLU . 98.1 mt -63.27 -45.32 92.0 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.958 0.503 . . . . 74.55 109.889 171.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -53.14 -54.47 35.31 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.392 0.677 . . . . 72.04 110.646 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.92 -45.66 62.81 Favored Glycine 0 C--N 1.35 1.338 0 O-C-N 123.903 0.752 . . . . 63.54 113.988 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.0 -55.39 26.09 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.772 0.829 . . . . 73.22 109.824 -176.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.67 -31.49 72.67 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.9 -0.591 . . . . 64.33 111.013 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -58.89 -45.69 89.66 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 122.677 0.391 . . . . 72.01 110.95 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.1 -47.78 84.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.189 -0.914 . . . . 64.03 110.39 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.2 mmp_? -61.02 -46.99 88.51 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.029 0.831 . . . . 52.23 111.247 -176.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 443' ' ' LEU . 62.7 mt -64.54 -36.46 84.29 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.071 0.948 . . . . 73.24 111.628 -178.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.12 -43.57 98.55 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.927 0.767 . . . . 73.42 110.525 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -69.59 -40.82 76.46 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.685 0.794 . . . . 64.44 110.893 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 94.6 mt -61.18 -51.88 67.16 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.196 0.598 . . . . 71.21 109.786 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 t -61.38 -34.33 75.15 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.746 1.218 . . . . 74.12 111.819 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.2 t -62.33 -46.77 87.22 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.567 -0.742 . . . . 74.43 110.428 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.36 -40.09 74.24 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.778 -0.646 . . . . 75.34 111.689 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.38 -44.53 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.762 0.825 . . . . 71.25 109.928 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.81 -27.73 67.16 Favored Glycine 0 C--N 1.344 1.0 0 O-C-N 123.743 0.652 . . . . 75.25 113.554 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -80.81 -51.82 8.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 122.998 0.519 . . . . 75.35 110.892 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.6 m -78.78 -29.05 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 112.987 0.736 . . . . 73.14 112.987 -171.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 tt -86.2 119.01 26.02 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 107.699 -1.223 . . . . 71.11 107.699 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -96.68 100.09 11.66 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.589 -0.893 . . . . 73.42 108.589 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -103.51 14.3 31.6 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.564 0.746 . . . . 75.04 111.213 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 158.71 -66.22 0.29 Allowed Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.501 -0.611 . . . . 75.24 111.942 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.07 134.82 38.25 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.592 2.194 . . . . 71.02 111.313 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.9 m 64.6 20.42 12.14 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.387 1.075 . . . . 54.24 112.181 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.9 119.84 40.44 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.577 0.751 . . . . 51.4 109.254 175.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.63 -10.21 66.69 Favored Glycine 0 C--N 1.349 1.292 0 O-C-N 123.612 0.57 . . . . 75.3 114.346 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.5 pp -146.04 177.33 9.04 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.481 1.112 . . . . 74.34 109.698 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.18 108.55 2.58 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.366 0.667 . . . . 73.3 109.731 175.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -96.91 25.44 0.26 Allowed 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 123.367 2.711 . . . . 61.35 112.769 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -70.27 91.28 0.72 Allowed 'General case' 0 C--N 1.352 0.702 0 N-CA-C 108.84 -0.8 . . . . 71.23 108.84 174.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -152.69 109.54 0.42 Allowed Glycine 0 C--N 1.34 0.775 0 CA-C-N 115.331 -0.849 . . . . 74.32 111.428 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.8 m -83.09 167.3 17.96 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.198 0.599 . . . . 74.51 110.459 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.22 -52.85 4.12 Favored Glycine 0 C--N 1.346 1.113 0 N-CA-C 111.43 -0.668 . . . . 65.4 111.43 -174.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.56 -166.46 37.86 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-O 121.112 0.285 . . . . 73.11 112.704 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.408 HG22 ' H ' ' A' ' 114' ' ' GLU . 2.6 mp -109.13 178.29 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 N-CA-C 106.962 -1.495 . . . . 63.21 106.962 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.408 ' H ' HG22 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -102.82 142.37 34.07 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.052 -1.03 . . . . 73.24 109.14 168.233 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 107.71 -174.27 19.21 Favored Glycine 0 C--N 1.344 0.996 0 O-C-N 123.09 0.244 . . . . 60.33 112.535 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 23.3 t -78.3 -18.84 54.69 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.609 0.764 . . . . 74.31 110.738 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -35.15 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.848 0.859 . . . . 73.35 109.875 170.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.49 -45.33 92.0 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.543 0.737 . . . . 65.51 111.206 173.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.1 mt-10 -60.44 -53.94 51.51 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 124.207 0.942 . . . . 62.12 110.87 -175.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.3 t -61.18 -43.38 98.97 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.674 0.609 . . . . 72.11 111.485 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.24 -40.88 87.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 122.373 0.269 . . . . 75.43 110.345 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.86 79.43 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.512 0.725 . . . . 42.43 111.799 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.2 mmt180 -68.84 -54.35 16.2 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.097 -0.705 . . . . 74.13 109.097 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -69.65 -26.16 64.27 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.35 -0.841 . . . . 73.31 112.076 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -76.04 -38.46 57.18 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.703 0.801 . . . . 51.05 109.768 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.28 -55.22 26.6 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.206 -0.664 . . . . 75.41 109.206 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -54.34 -41.05 68.63 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.885 0.874 . . . . 65.43 111.352 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -61.62 -62.88 1.5 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-N 116.066 -0.515 . . . . 53.51 110.297 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 40.2 m -62.63 -35.16 78.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.036 0.934 . . . . 64.25 112.454 -172.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -69.08 -47.45 65.24 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.574 0.75 . . . . 73.0 111.322 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.585 HD12 HD21 ' A' ' 34' ' ' LEU . 8.1 mp -73.81 -19.62 60.7 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.457 0.303 . . . . 63.43 110.75 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.34 -42.25 23.3 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.338 1.055 . . . . 65.33 110.974 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.0 t -72.0 -34.09 68.61 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.414 -0.587 . . . . 73.54 109.414 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.559 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.1 ttt -60.41 -45.32 94.0 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 123.844 0.715 . . . . 64.02 109.499 170.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.46 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 33.1 ttm -60.53 -49.11 78.84 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.66 1.225 . . . . 73.15 112.56 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 41.8 p -65.1 -38.83 91.98 Favored 'General case' 0 C--O 1.246 0.895 0 O-C-N 123.482 0.489 . . . . 72.24 110.765 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -72.14 -40.7 67.86 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 115.804 -0.635 . . . . 64.33 111.518 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.559 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -72.7 -23.53 60.88 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 120.899 0.38 . . . . 73.4 110.446 -177.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.72 -50.11 53.42 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 124.148 0.979 . . . . 74.22 109.464 173.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -59.64 -46.6 88.53 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 114.902 -1.044 . . . . 70.42 110.921 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 40.1 p -62.68 -61.79 2.18 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 118.397 -0.811 . . . . 74.11 110.123 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 76.1 p -53.53 -28.98 34.33 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.19 0.596 . . . . 72.42 112.601 -178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.425 ' O ' HG22 ' A' ' 458' ' ' THR . 33.2 t -61.61 -62.31 1.9 Allowed 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.609 0.568 . . . . 73.15 110.868 174.29 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' TYR . . . . . 0.491 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 3.0 p90 -72.84 -20.6 61.1 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 112.053 0.39 . . . . 72.44 112.053 -177.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.52 HD21 HG23 ' A' ' 44' ' ' ILE . 70.8 mt -74.19 -37.22 63.99 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.262 0.625 . . . . 73.5 110.951 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 455' ' ' SER . 7.1 t -74.6 -32.0 62.21 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 110.267 -0.271 . . . . 71.42 110.267 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -59.89 -53.46 57.63 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.278 0.561 . . . . 71.4 109.617 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -61.86 -35.18 77.53 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 114.331 -1.304 . . . . 74.51 111.217 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 461' ' ' PHE . . . . . 0.411 ' HB2' HG21 ' A' ' 68' ' ' ILE . 30.0 t80 -65.58 -56.32 12.9 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.321 0.648 . . . . 73.44 110.353 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 32.0 m -61.0 -35.52 77.04 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 124.17 0.919 . . . . 64.11 111.187 -175.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.8 -52.04 14.39 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.172 0.589 . . . . 64.24 110.971 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 464' ' ' MET . . . . . 0.422 ' SD ' HG23 ' A' ' 64' ' ' VAL . 52.8 ttm -62.03 -33.98 75.36 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 115.611 -0.722 . . . . 72.12 110.784 -177.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -81.51 -69.67 0.59 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.911 -0.774 . . . . 44.25 108.911 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.11 79.37 1.83 Allowed 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.123 0.569 . . . . 41.33 112.427 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.253 1.264 0 O-C-N 121.366 -0.833 . . . . 55.35 109.382 167.197 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 CA--C 1.552 1.025 0 CA-C-O 121.003 0.43 . . . . 75.14 110.525 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 p -64.76 -53.68 43.29 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.807 0.843 . . . . 64.43 111.739 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -63.74 -37.15 86.3 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.857 0.863 . . . . 50.43 111.122 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 8' ' ' ILE . 7.1 m -77.48 -34.79 54.2 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.461 -0.79 . . . . 72.15 111.548 -175.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -73.31 -42.72 57.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 118.218 0.463 . . . . 63.53 110.688 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.76 -36.55 84.24 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.471 0.308 . . . . 35.42 110.178 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.606 ' HE1' HG23 ' A' ' 52' ' ' THR . 79.9 t80 -52.86 -56.14 18.03 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.238 1.015 . . . . 62.44 111.396 171.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.54 HG12 HG23 ' A' ' 60' ' ' ILE . 72.4 mt -58.57 -52.29 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 123.607 0.763 . . . . 64.21 111.509 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 86.6 m-20 -56.52 -50.71 71.01 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.326 1.016 . . . . 74.25 111.374 -175.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -68.27 -42.0 80.21 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.651 0.594 . . . . 71.43 111.117 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -62.53 -39.45 93.6 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 118.144 0.429 . . . . 74.33 111.282 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -56.5 -48.58 76.89 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.5 0.5 . . . . 75.42 110.163 172.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 75.8 mmt-85 -60.9 -41.16 95.53 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 123.722 0.639 . . . . 71.33 110.765 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.88 -44.28 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.075 0.95 . . . . 74.01 110.997 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.09 -40.06 71.77 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.52 0.328 . . . . 74.53 111.863 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.29 -40.88 86.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.035 0.534 . . . . 75.51 111.172 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 92.7 mt -70.47 -48.86 53.76 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.548 0.739 . . . . 73.34 109.694 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.472 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.4 p -56.48 -41.26 76.28 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.816 0.698 . . . . 65.12 111.476 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -60.34 -52.65 64.36 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.385 1.053 . . . . 75.04 111.533 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -61.97 -47.31 85.42 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.484 -0.78 . . . . 73.35 111.334 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.523 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -76.15 -19.85 58.09 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 122.919 0.488 . . . . 73.51 111.708 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.91 -44.95 83.7 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.395 -0.595 . . . . 61.43 109.395 172.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 34.4 mt-10 -60.62 -40.33 91.48 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.496 -1.229 . . . . 60.22 110.452 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 21' ' ' LEU . 88.1 mt -65.35 -38.46 90.15 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.436 0.695 . . . . 55.34 111.488 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.9 75.29 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.429 0.692 . . . . 63.1 111.566 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -77.16 -19.35 56.94 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.874 -0.603 . . . . 74.51 111.204 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.563 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -80.26 -20.43 44.51 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.226 0.61 . . . . 72.23 110.834 171.229 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.91 11.41 73.59 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 123.064 0.227 . . . . 44.5 113.171 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.563 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 40.2 mm-40 -70.39 82.22 0.56 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.513 0.725 . . . . 63.2 109.647 173.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -74.23 -41.36 61.45 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.284 0.233 . . . . 64.53 110.809 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.6 -50.48 67.94 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.119 0.968 . . . . 52.2 110.708 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.4 mt -70.94 -38.19 72.87 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.064 -1.426 . . . . 72.23 110.822 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 21' ' ' LEU . 58.7 tp -59.9 -46.45 89.3 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.873 0.869 . . . . 54.43 111.384 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.553 HD21 HD12 ' A' ' 443' ' ' LEU . 63.0 mt -75.23 -27.65 59.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.452 1.101 . . . . 72.33 111.07 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -69.44 -33.65 73.26 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.996 0.427 . . . . 74.25 109.991 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -82.55 -22.9 34.76 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.945 0.898 . . . . 65.32 111.665 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -49.48 -55.01 14.72 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.865 1.266 . . . . 64.55 111.019 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.3 m -60.14 -43.73 93.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 114.717 -1.128 . . . . 64.42 111.676 -174.093 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -66.85 -53.67 30.15 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.734 0.814 . . . . 62.13 110.765 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.472 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 20.3 t80 -59.79 -58.74 7.24 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.807 -1.542 . . . . 72.51 112.005 -175.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.3 -40.62 97.88 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.48 -0.782 . . . . 71.01 110.926 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.79 -39.53 77.72 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.891 0.476 . . . . 74.13 111.625 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.1 m -62.99 -44.37 96.22 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 123.691 0.619 . . . . 63.41 111.529 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.447 HG23 HD21 ' A' ' 457' ' ' LEU . 51.2 mt -63.15 -44.88 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 CA-C-O 121.787 0.803 . . . . 74.23 110.639 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 45.6 mt-10 -60.55 -47.21 87.17 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 114.867 -1.06 . . . . 74.32 109.828 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -74.55 -30.07 61.6 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.154 0.427 . . . . 60.33 112.154 -171.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 m -69.08 -32.82 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.661 0.664 . . . . 73.33 110.106 173.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.0 mmt -80.57 -24.22 39.36 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.248 0.462 . . . . 64.25 112.248 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 11.4 mm-40 -77.9 -24.45 48.38 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.23 0.468 . . . . 71.12 110.033 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -83.23 -2.12 54.79 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.203 0.601 . . . . 74.52 109.766 170.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 68.98 9.06 7.21 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.739 1.616 . . . . 64.44 112.442 175.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.606 HG23 ' HE1' ' A' ' 7' ' ' PHE . 53.5 m 62.09 105.38 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.263 0 C-N-CA 124.818 1.247 . . . . 75.14 110.83 -173.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -46.42 125.18 8.78 Favored 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 123.577 2.851 . . . . 73.22 112.972 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.98 -22.69 14.6 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.826 2.35 . . . . 72.42 113.926 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.79 70.11 3.23 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-O 120.969 0.205 . . . . 65.01 112.723 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.0 mm -120.29 121.91 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.234 1.013 . . . . 71.44 109.422 -174.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 t -75.26 164.65 26.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.947 0.499 . . . . 70.53 110.377 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -67.91 -18.24 64.72 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 112.801 0.667 . . . . 70.25 112.801 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.5 m -72.26 -45.01 61.96 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.408 0.623 . . . . 61.42 111.077 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.54 HG23 HG12 ' A' ' 8' ' ' ILE . 84.6 mt -74.34 -37.81 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 114.88 -1.055 . . . . 75.05 109.543 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -63.14 -34.07 76.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.098 0.959 . . . . 75.2 110.291 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.1 -51.0 63.89 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.585 0.754 . . . . 53.41 111.23 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 64.1 mtm -56.33 -52.82 63.14 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.566 0.541 . . . . 73.43 110.841 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 68' ' ' ILE . 19.8 m -74.73 -27.71 20.94 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 CA-C-N 115.535 -0.757 . . . . 74.13 111.927 -173.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.95 81.59 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.143 0.429 . . . . 52.2 110.249 170.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.64 -42.14 93.54 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-N 115.868 -0.605 . . . . 64.21 112.175 173.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.44 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 24.2 m-85 -65.81 -43.49 88.49 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.101 0.56 . . . . 63.22 111.625 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 64' ' ' VAL . 67.7 mt -67.54 -42.9 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 109.34 -0.615 . . . . 63.33 109.34 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -57.68 -49.85 75.12 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.844 0.458 . . . . 64.34 110.913 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -67.22 -40.17 86.34 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.943 -0.571 . . . . 72.03 110.283 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -27.39 65.28 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.418 -0.356 . . . . 62.54 110.838 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.43 -48.75 63.78 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.72 0.808 . . . . 74.52 110.842 174.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 24.1 t70 -56.9 -53.25 60.09 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.311 1.007 . . . . 64.22 110.044 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -62.79 -45.18 93.85 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.596 -1.184 . . . . 63.31 111.107 -175.464 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.578 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.6 tt0 -73.92 -24.5 59.68 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.604 0.761 . . . . 74.13 111.892 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -72.39 -37.62 68.67 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.098 0.559 . . . . 74.21 110.06 172.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 68.3 mt -69.52 -32.91 72.04 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.76 -0.655 . . . . 71.42 110.102 176.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 75' ' ' GLU . 81.3 mt -63.84 -46.48 84.85 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.077 0.551 . . . . 75.21 109.82 172.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.05 -51.6 63.54 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.822 0.849 . . . . 74.43 111.286 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.7 -44.27 71.42 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 123.63 0.581 . . . . 74.12 113.679 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.11 -53.96 41.4 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.643 0.777 . . . . 75.2 109.711 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.83 -24.21 66.13 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.675 -0.693 . . . . 74.13 111.192 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.7 -46.5 87.85 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.254 0.479 . . . . 62.31 110.552 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -59.51 -48.92 79.78 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.414 1.071 . . . . 62.14 110.046 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.8 mmp_? -59.58 -49.02 79.4 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.425 -0.807 . . . . 71.32 111.383 -176.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 443' ' ' LEU . 73.9 mt -69.7 -28.23 65.67 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.682 0.793 . . . . 74.11 111.694 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.13 -44.41 88.8 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.361 0.6 . . . . 72.22 109.776 175.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -70.35 -45.04 66.93 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 114.813 -1.085 . . . . 72.24 111.259 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 93' ' ' ILE . 91.9 mt -62.96 -42.72 99.91 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 123.545 0.738 . . . . 63.44 110.147 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.4 t -59.7 -45.85 90.87 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.467 0.707 . . . . 72.12 110.484 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.2 t -59.87 -42.56 93.98 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.874 0.734 . . . . 61.13 111.086 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.68 -47.62 80.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.267 0.627 . . . . 72.24 111.002 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 89' ' ' LEU . 80.3 mt -58.83 -42.3 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.676 0.791 . . . . 70.13 110.067 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.73 -33.65 87.83 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 116.167 -0.469 . . . . 73.11 113.402 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.35 -35.74 24.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.395 0.678 . . . . 74.11 111.784 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.496 HG23 HG22 ' A' ' 433' ' ' VAL . 31.2 m -89.68 -27.79 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 122.535 0.334 . . . . 53.01 111.737 -175.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.91 112.38 23.73 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 108.369 -0.975 . . . . 72.43 108.369 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -87.11 86.03 7.27 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 107.54 -1.281 . . . . 74.23 107.54 171.018 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -86.76 12.51 10.66 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.514 0.726 . . . . 72.42 112.525 -175.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 159.64 -70.42 0.24 Allowed Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.228 -0.762 . . . . 73.53 111.467 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.55 143.87 93.62 Favored 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 123.249 2.633 . . . . 64.51 112.684 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 m 78.3 -43.74 0.37 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 126.118 1.767 . . . . 63.54 111.906 -176.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.91 127.41 33.03 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.139 0.576 . . . . 60.25 110.685 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.72 41.07 3.0 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 120.784 0.102 . . . . 54.4 113.006 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 pp -166.58 168.26 14.73 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.034 1.334 . . . . 71.35 108.868 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.1 t -89.35 105.81 11.68 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 107.973 -1.121 . . . . 71.4 107.973 172.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -95.77 29.97 0.2 Allowed 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 123.587 2.858 . . . . 74.52 113.011 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -75.62 87.99 2.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.416 0.687 . . . . 74.2 109.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -148.56 84.78 0.17 Allowed Glycine 0 C--N 1.336 0.58 0 CA-C-N 114.991 -1.004 . . . . 73.13 111.404 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.5 p -73.49 96.61 2.43 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.343 0.657 . . . . 71.41 110.096 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.12 -57.01 0.17 Allowed Glycine 0 C--N 1.339 0.703 0 N-CA-C 111.163 -0.775 . . . . 54.12 111.163 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -173.66 106.92 0.23 Allowed Glycine 0 C--N 1.346 1.131 0 CA-C-O 120.099 -0.278 . . . . 64.3 112.534 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.4 mp -72.95 152.1 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 N-CA-C 108.662 -0.866 . . . . 63.03 108.662 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -83.72 101.13 11.34 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.586 0.754 . . . . 75.13 110.211 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 142.83 -177.67 21.69 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 116.444 -0.343 . . . . 33.15 113.593 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 8.5 t -76.94 -18.42 58.27 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.701 0.8 . . . . 63.12 110.68 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -42.77 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.089 0.955 . . . . 70.53 109.824 169.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.68 -39.11 83.44 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.716 0.807 . . . . 74.44 111.677 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.4 mt-10 -67.32 -58.13 5.36 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.011 0.819 . . . . 75.24 110.749 -177.314 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 10.0 t -61.5 -40.67 95.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.658 0.383 . . . . 72.14 111.681 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 96' ' ' VAL . 55.9 t -61.06 -49.04 86.33 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 CA-C-O 119.163 -0.446 . . . . 72.51 109.926 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.2 -34.04 71.68 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.607 0.567 . . . . 71.05 111.95 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.7 mmt180 -69.95 -52.95 20.23 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 110.287 -0.264 . . . . 73.24 110.287 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -69.39 -24.94 63.93 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.337 -0.392 . . . . 71.52 111.693 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -76.3 -39.8 53.22 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.57 1.148 . . . . 60.33 109.805 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.05 -48.11 66.52 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.978 0.511 . . . . 42.31 110.468 176.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.45 -40.37 90.88 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.989 0.516 . . . . 75.31 110.661 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.54 -56.17 22.95 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 122.866 0.466 . . . . 74.11 109.811 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 58.5 m -62.85 -34.23 76.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.914 1.285 . . . . 73.13 112.996 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -79.62 -46.15 17.77 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.111 0.564 . . . . 61.41 111.125 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.553 HD12 HD21 ' A' ' 34' ' ' LEU . 10.0 mp -67.98 -19.65 64.96 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 110.389 -0.226 . . . . 74.34 110.389 172.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -78.7 -48.62 14.62 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.689 1.196 . . . . 71.31 110.951 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -65.3 -33.65 76.49 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.597 -0.52 . . . . 75.22 109.597 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.644 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.8 ttt -62.24 -50.92 69.81 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 123.564 0.54 . . . . 71.12 110.004 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.424 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 33.3 ttm -58.99 -48.96 79.69 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.005 0.816 . . . . 52.22 112.466 -176.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 32.7 p -64.3 -45.84 86.21 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.347 0.659 . . . . 71.3 110.732 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -66.95 -40.31 87.5 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.787 -0.642 . . . . 64.34 111.428 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.644 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.1 pp -73.64 -24.34 59.99 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 123.107 0.254 . . . . 55.43 110.371 -177.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -73.29 -42.24 62.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.716 0.806 . . . . 44.42 109.206 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -67.57 -43.59 80.25 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.975 -1.012 . . . . 64.42 110.901 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 34.8 p -63.65 -60.02 3.86 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-O 118.638 -0.696 . . . . 70.24 109.587 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 87.1 p -54.46 -31.34 55.41 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.506 0.722 . . . . 44.44 112.207 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.4 t -59.5 -65.2 0.71 Allowed 'General case' 0 C--O 1.247 0.951 0 O-C-N 123.696 0.623 . . . . 74.52 110.638 173.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.68 -21.35 63.52 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 111.983 0.364 . . . . 74.25 111.983 -176.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.447 HD21 HG23 ' A' ' 44' ' ' ILE . 43.8 mt -73.51 -43.43 60.09 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.709 0.803 . . . . 74.32 110.897 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 11.2 t -70.71 -37.21 73.54 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.49 0.186 . . . . 73.11 110.806 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -68.33 -47.41 67.61 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.044 -0.525 . . . . 53.33 110.311 177.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -64.99 -33.89 77.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.888 0.875 . . . . 74.22 110.983 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 461' ' ' PHE . . . . . 0.413 ' HB2' HG21 ' A' ' 68' ' ' ILE . 34.5 t80 -63.23 -47.13 83.79 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.225 0.61 . . . . 53.51 110.521 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 28.0 m -61.22 -31.24 71.02 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 123.584 0.553 . . . . 74.13 110.527 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.89 -54.55 8.43 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.095 0.558 . . . . 60.33 111.83 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 49.8 ttm -67.01 -32.25 73.35 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.959 0.904 . . . . 74.01 110.986 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -77.87 -66.08 0.89 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 108.942 -0.762 . . . . 65.25 108.942 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.74 77.41 1.51 Allowed 'General case' 0 CA--C 1.563 1.473 0 C-N-CA 122.817 0.447 . . . . 73.24 111.982 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.489 1.494 0 C-N-CA 123.555 0.742 . . . . 70.31 112.16 166.645 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 109.788 -0.449 . . . . 75.33 109.788 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -62.12 -58.03 9.32 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.953 0.901 . . . . 72.43 112.787 -171.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -60.49 -38.28 83.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.454 0.702 . . . . 70.31 111.283 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 39.3 m -71.13 -43.68 67.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.687 0.795 . . . . 71.25 111.567 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.02 -37.76 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.007 0.367 . . . . 71.12 110.809 -174.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.3 -33.72 71.89 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.624 0.37 . . . . 72.11 110.041 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 4' ' ' THR . 57.5 t80 -57.6 -56.34 23.21 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.711 0.804 . . . . 71.3 110.47 171.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 99.7 mt -56.61 -55.02 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 124.361 1.064 . . . . 65.23 111.212 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 4.3 m-20 -60.61 -52.43 65.19 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 114.571 -1.195 . . . . 72.43 111.043 -173.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 14' ' ' ILE . 78.6 mtm180 -74.65 -32.22 62.19 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 118.371 -0.823 . . . . 73.41 112.221 -170.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -64.41 -38.81 92.33 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 119.008 0.822 . . . . 72.11 110.378 171.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.6 -41.65 97.76 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 123.469 0.481 . . . . 72.23 110.043 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 30.9 mmt180 -59.44 -49.62 77.1 Favored 'General case' 0 C--N 1.362 1.132 0 O-C-N 123.689 0.618 . . . . 74.23 109.621 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' ARG . 97.1 mt -55.08 -41.82 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 124.543 1.137 . . . . 70.2 111.537 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.46 80.99 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.315 0.646 . . . . 61.02 111.522 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.98 -35.15 76.39 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.338 0.655 . . . . 53.34 111.13 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.0 mt -69.44 -53.52 18.87 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.798 0.839 . . . . 73.04 109.613 -177.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.479 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 50.9 p -56.98 -43.67 81.9 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 124.459 1.099 . . . . 70.51 111.231 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -56.1 -51.96 66.01 Favored 'General case' 0 C--O 1.245 0.839 0 O-C-N 124.26 0.975 . . . . 74.22 110.819 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.423 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 56.3 m -60.61 -58.27 9.17 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.026 0.829 . . . . 71.24 111.027 -177.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.627 ' HB2' HD12 ' A' ' 33' ' ' LEU . 3.7 pp -67.88 -22.56 65.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.158 0.583 . . . . 73.34 112.43 -173.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 74' ' ' ASN . 60.1 tp -64.05 -48.99 74.1 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.233 -0.654 . . . . 74.51 109.233 172.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.71 -36.61 84.42 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 114.528 -1.215 . . . . 64.13 110.455 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 32' ' ' LEU . 64.5 mt -70.6 -31.59 68.63 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.567 0.747 . . . . 72.22 111.504 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.448 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -71.1 -45.76 63.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.721 0.808 . . . . 62.12 111.002 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -72.24 -28.06 62.91 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.935 0.494 . . . . 63.52 110.678 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -68.88 -26.09 64.94 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.545 0.738 . . . . 72.35 110.419 171.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.01 3.18 68.19 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 116.206 -0.452 . . . . 42.42 112.996 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.08 82.22 2.92 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 109.347 -0.612 . . . . 72.25 109.347 174.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -65.25 -29.06 69.8 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.153 -0.93 . . . . 73.13 110.578 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.66 -51.26 70.71 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.337 1.055 . . . . 54.32 110.671 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 24' ' ' LEU . 79.0 mt -75.1 -33.82 61.65 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.223 -0.899 . . . . 63.42 111.088 -176.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 21' ' ' LEU . 48.9 tp -58.32 -52.64 64.76 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.922 0.889 . . . . 75.14 110.613 172.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.556 HD21 HD12 ' A' ' 443' ' ' LEU . 99.0 mt -70.03 -27.09 64.38 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.872 0.869 . . . . 45.24 111.782 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -62.27 -45.21 94.3 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.445 -0.576 . . . . 71.22 109.445 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 86.1 mm-40 -82.91 -13.07 56.77 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.343 -0.844 . . . . 73.53 111.736 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.48 -55.12 38.95 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.807 0.843 . . . . 64.22 110.956 174.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 m -56.68 -45.8 82.78 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 O-C-N 124.37 1.044 . . . . 54.14 111.094 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 p -67.89 -47.8 67.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.502 0.721 . . . . 70.43 110.669 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 30.0 t80 -59.29 -59.18 5.87 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.065 0.946 . . . . 71.3 112.099 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.98 -38.66 91.7 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 123.917 0.761 . . . . 60.54 110.68 -176.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -59.89 -42.59 94.11 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.288 0.367 . . . . 61.04 111.119 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.408 ' HA ' HG22 ' A' ' 46' ' ' THR . 71.9 m -63.4 -40.52 97.43 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.436 0.694 . . . . 72.35 111.451 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG23 HD21 ' A' ' 457' ' ' LEU . 68.1 mt -64.32 -44.54 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.093 0.473 . . . . 61.25 110.756 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.82 -34.89 67.14 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.093 -0.503 . . . . 74.52 111.768 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 43' ' ' SER . 11.0 t -74.47 -34.11 63.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.022 0.129 . . . . 74.51 110.775 -178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.01 -29.87 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 O-C-N 122.145 -0.347 . . . . 61.11 110.136 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' ' 51' ' ' GLN . 21.5 mmt -79.69 -11.3 59.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.312 0.645 . . . . 53.23 112.292 175.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.45 -31.69 70.16 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 109.196 -0.668 . . . . 74.51 109.196 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -90.0 -24.76 21.14 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.934 0.894 . . . . 64.51 110.43 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 48' ' ' MET . 52.1 tt0 61.44 -79.36 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.917 1.687 . . . . 63.51 109.958 -169.117 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.2 m -152.38 115.77 2.91 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 124.335 1.054 . . . . 70.25 108.256 172.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.96 139.64 91.75 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.27 1.98 . . . . 75.21 111.093 166.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.31 -21.37 61.52 Favored 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.449 2.1 . . . . 75.13 113.271 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.37 58.47 4.99 Favored Glycine 0 C--N 1.351 1.401 0 C-N-CA 122.67 0.176 . . . . 65.4 112.742 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mm -122.23 117.06 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.211 1.004 . . . . 61.21 108.8 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t -79.25 173.12 12.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.791 0.836 . . . . 73.33 110.488 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -23.95 65.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.345 0.658 . . . . 74.15 112.104 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 t -70.4 -56.87 5.61 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.587 -0.523 . . . . 74.42 109.587 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.23 -35.83 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.303 1.041 . . . . 50.22 110.988 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -57.66 -47.48 82.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.008 0.923 . . . . 51.01 110.628 175.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.78 -35.35 74.82 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 123.935 0.772 . . . . 72.23 110.819 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.4 mtp -60.33 -60.34 3.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.221 1.008 . . . . 73.25 110.644 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.8 m -70.59 -24.14 25.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.918 0 CA-C-N 115.236 -0.893 . . . . 74.02 111.066 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.37 93.57 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.71 -0.478 . . . . 64.24 109.71 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.95 -43.42 98.93 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 115.939 -0.573 . . . . 65.22 112.107 174.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -64.54 -41.65 96.21 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.22 0.608 . . . . 74.14 112.0 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 461' ' ' PHE . 61.8 mt -72.45 -37.06 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.59 -0.522 . . . . 70.1 109.59 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -63.68 -40.11 95.99 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 110.207 -0.294 . . . . 74.11 110.207 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -61.5 -50.16 73.83 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 115.882 -0.599 . . . . 72.33 110.229 174.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.36 -32.68 73.78 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.434 -0.803 . . . . 64.51 110.975 -173.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.75 -44.81 84.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.545 0.738 . . . . 73.42 110.255 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.73 -51.1 70.79 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.316 -0.856 . . . . 72.14 110.615 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' HA ' HD22 ' A' ' 22' ' ' LEU . 70.5 m-20 -65.76 -44.78 84.84 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.231 -0.895 . . . . 64.23 111.212 -177.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.579 ' HA ' HD12 ' A' ' 78' ' ' LEU . 44.0 tt0 -70.02 -28.02 65.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.355 1.062 . . . . 73.31 112.037 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.22 -42.15 72.68 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.202 0.525 . . . . 63.31 109.721 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.8 -31.06 71.81 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.479 -0.782 . . . . 71.01 111.1 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.4 mt -62.31 -49.51 75.33 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.794 0.437 . . . . 60.13 110.047 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -51.9 -54.52 28.34 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 124.123 0.889 . . . . 75.54 110.458 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.71 -58.5 11.93 Favored Glycine 0 C--N 1.354 1.547 0 O-C-N 123.714 0.634 . . . . 64.32 113.876 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.83 -56.03 26.85 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.526 1.131 . . . . 64.45 110.635 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD22 HD23 ' A' ' 443' ' ' LEU . 77.4 mt -64.8 -35.18 80.28 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 118.621 -0.704 . . . . 73.01 110.931 -176.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.6 tt0 -61.66 -39.54 91.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 118.358 0.526 . . . . 62.32 111.389 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 25.3 mt-30 -61.79 -50.61 71.67 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.609 -0.723 . . . . 71.41 110.144 174.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -44.24 92.13 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.06 0.944 . . . . 64.52 111.618 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.716 HD21 ' HB2' ' A' ' 443' ' ' LEU . 91.9 mt -69.82 -36.52 75.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.352 1.061 . . . . 74.21 111.696 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.22 -37.61 88.1 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.705 0.628 . . . . 73.35 109.815 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 39.8 mt-10 -65.12 -47.95 75.31 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 114.964 -1.016 . . . . 71.02 110.631 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.45 ' O ' HG13 ' A' ' 93' ' ' ILE . 97.1 mt -59.55 -41.03 89.19 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.445 0.698 . . . . 75.24 111.005 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.1 t -63.21 -40.52 97.71 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.399 1.08 . . . . 70.24 111.023 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 32.4 t -63.17 -45.54 91.32 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 115.385 -0.825 . . . . 72.14 110.009 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' O ' HG22 ' A' ' 96' ' ' VAL . 95.7 mt -60.13 -39.46 86.38 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.037 0.935 . . . . 72.11 111.426 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 89' ' ' LEU . 75.7 mt -62.25 -46.24 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.342 0.657 . . . . 75.01 109.471 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.76 -26.59 67.13 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 116.09 -0.505 . . . . 73.11 113.887 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.6 mm100 -82.5 -50.38 8.9 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.404 0.681 . . . . 70.52 111.346 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 92' ' ' LEU . 26.8 m -83.83 -44.63 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 C-N-CA 122.539 0.336 . . . . 70.45 111.804 -173.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HA ' HD11 ' A' ' 429' ' ' ILE . 0.8 OUTLIER -76.95 115.89 17.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.443 -0.947 . . . . 64.32 108.443 -178.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -75.98 83.43 2.87 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 107.264 -1.384 . . . . 72.01 107.264 167.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -71.68 -11.78 61.0 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.187 0.595 . . . . 74.12 112.306 -172.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.53 -71.91 0.04 OUTLIER Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.315 -0.714 . . . . 64.41 111.315 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.55 -170.51 0.96 Allowed 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 123.129 2.553 . . . . 63.44 113.056 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.1 m 65.8 27.66 11.04 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.952 1.301 . . . . 72.03 112.046 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.421 ' HB3' ' HG3' ' A' ' 107' ' ' PRO . . . -157.42 140.26 15.06 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.794 0.838 . . . . 73.3 109.754 175.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.68 -39.39 66.87 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 123.633 0.583 . . . . 71.52 112.483 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.85 178.34 8.37 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.867 0.467 . . . . 74.11 109.773 171.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.3 t -89.5 104.42 8.06 Favored Pre-proline 0 CA--C 1.55 0.953 0 N-CA-C 108.722 -0.844 . . . . 72.42 108.722 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.421 ' HG3' ' HB3' ' A' ' 103' ' ' ALA . 23.0 Cg_endo -93.68 18.51 0.9 Allowed 'Trans proline' 0 C--N 1.368 1.591 0 C-N-CA 123.487 2.791 . . . . 70.14 112.552 -177.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -76.17 76.07 2.99 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.997 0.903 . . . . 74.24 109.363 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -108.09 58.1 0.41 Allowed Glycine 0 C--N 1.339 0.699 0 N-CA-C 110.446 -1.062 . . . . 61.24 110.446 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.8 p -66.26 100.54 0.63 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.545 0.738 . . . . 74.22 109.668 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 134.91 -40.13 1.6 Allowed Glycine 0 C--N 1.34 0.756 0 CA-C-N 115.114 -0.948 . . . . 61.01 111.183 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.02 122.38 1.01 Allowed Glycine 0 C--N 1.346 1.103 0 N-CA-C 112.191 -0.364 . . . . 73.14 112.191 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 114' ' ' GLU . 1.6 mp -100.42 -176.2 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.67 0 N-CA-C 107.459 -1.311 . . . . 75.51 107.459 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.592 ' H ' HG22 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -121.28 136.21 55.0 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.921 0.889 . . . . 63.4 109.242 174.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 103.77 -171.26 19.86 Favored Glycine 0 C--N 1.345 1.037 0 C-N-CA 123.219 0.438 . . . . 63.13 112.158 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 20.8 t -68.89 -22.8 64.16 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.646 0.779 . . . . 53.1 111.49 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -60.46 -34.04 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.695 0.798 . . . . 51.31 109.785 174.483 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -61.86 -43.02 99.7 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.152 0.581 . . . . 63.33 111.297 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.67 -52.38 52.06 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.127 0.892 . . . . 45.41 110.871 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.2 t -65.1 -39.56 93.3 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 123.827 0.704 . . . . 71.21 111.217 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.04 -38.57 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.125 0.57 . . . . 52.53 110.862 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.96 83.55 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.88 0.472 . . . . 75.11 110.485 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -73.22 -47.12 46.03 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 123.308 0.643 . . . . 73.33 111.221 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -61.98 -44.36 96.91 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 123.257 0.348 . . . . 75.35 111.151 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.31 -42.85 92.61 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.068 0.855 . . . . 71.3 110.397 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.91 -58.77 7.1 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.735 0.647 . . . . 60.01 110.715 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -63.09 -38.82 92.71 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.204 0.602 . . . . 74.23 111.235 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 440' ' ' PHE . . . . . 0.45 ' HA ' HD22 ' A' ' 86' ' ' LEU . 82.5 t80 -61.82 -62.49 1.76 Allowed 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.633 0.583 . . . . 64.02 109.486 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 59.7 m -56.63 -37.88 71.35 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.19 0.931 . . . . 60.33 112.059 -174.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -65.78 -54.17 30.53 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.398 0.679 . . . . 72.11 111.784 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.716 ' HB2' HD21 ' A' ' 86' ' ' LEU . 9.1 mp -71.17 -23.94 62.15 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.462 0.305 . . . . 71.43 111.309 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -79.8 -38.31 33.27 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.093 0.957 . . . . 63.35 111.349 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.0 t -75.46 -31.9 60.44 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.201 -0.666 . . . . 54.14 109.201 174.684 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.596 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.5 ttt -60.22 -41.76 93.74 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 109.218 -0.66 . . . . 71.4 109.218 170.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.538 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 27.6 ttm -64.9 -49.04 72.0 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.469 1.106 . . . . 65.44 112.286 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 20.6 p -63.42 -37.24 86.53 Favored 'General case' 0 C--O 1.242 0.694 0 O-C-N 123.647 0.592 . . . . 64.11 110.803 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -69.6 -46.02 67.26 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 115.967 -0.561 . . . . 75.33 110.921 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.596 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.3 pp -73.75 -18.25 61.0 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 117.842 0.292 . . . . 71.41 111.391 -175.469 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -80.4 -41.48 24.54 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.283 0.633 . . . . 54.15 109.396 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -61.36 -48.09 82.86 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 115.614 -0.721 . . . . 61.44 109.779 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.435 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 68.8 p -62.34 -56.71 15.75 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 118.014 -0.993 . . . . 72.01 109.64 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 67.1 p -50.18 -38.78 41.42 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.919 0.888 . . . . 61.44 112.654 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -57.87 -64.02 1.05 Allowed 'General case' 0 C--O 1.246 0.915 0 O-C-N 124.087 0.867 . . . . 73.31 110.884 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -72.68 -20.96 61.14 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.407 0.521 . . . . 75.31 112.407 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.423 HD21 HG23 ' A' ' 44' ' ' ILE . 35.6 mt -71.92 -42.51 66.61 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.779 0.832 . . . . 70.11 110.095 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.8 t -73.4 -34.33 65.46 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.546 0.529 . . . . 72.24 110.222 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -62.04 -49.23 76.81 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.486 0.491 . . . . 73.34 110.336 172.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -69.95 -37.42 75.85 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.015 -0.993 . . . . 74.34 110.598 -174.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' PHE . . . . . 0.565 ' HB2' HG21 ' A' ' 68' ' ' ILE . 9.1 t80 -60.91 -57.11 14.02 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.296 1.038 . . . . 71.21 110.693 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 29.5 m -63.66 -29.41 70.65 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 123.912 0.758 . . . . 74.35 110.74 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -68.92 -52.04 33.53 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.242 0.617 . . . . 74.1 111.019 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 39.8 ttm -65.04 -35.79 82.28 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.395 0.678 . . . . 65.32 110.663 -174.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -78.6 -64.2 1.23 Allowed 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.433 -0.803 . . . . 62.4 108.946 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.07 81.1 1.96 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.638 0.775 . . . . 64.2 111.955 175.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.491 1.619 0 C-N-CA 123.58 0.752 . . . . 64.32 112.135 167.336 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 CA--C 1.554 1.098 0 CA-C-O 121.781 0.801 . . . . 64.33 110.577 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.4 p -68.27 -45.21 73.75 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 115.78 -0.645 . . . . 54.51 111.938 -175.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 m -66.64 -32.1 73.2 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.876 0.47 . . . . 72.03 111.36 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 83.7 m -74.05 -39.59 63.4 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.758 -0.656 . . . . 73.14 111.647 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 p -75.36 -35.76 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 O-C-N 121.957 -0.465 . . . . 75.24 111.169 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.25 -33.76 72.02 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.717 -0.475 . . . . 73.4 109.717 175.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.469 ' HB3' ' O ' ' A' ' 4' ' ' THR . 38.8 t80 -52.56 -53.22 49.33 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.569 0.748 . . . . 72.12 110.129 168.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.482 HG12 HG23 ' A' ' 60' ' ' ILE . 80.2 mt -57.11 -62.52 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.742 0.817 . . . . 63.5 111.536 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 57.6 m-80 -61.28 -39.61 91.04 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.725 0.81 . . . . 41.14 112.542 -173.03 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 14' ' ' ILE . 69.2 mtm180 -76.82 -34.36 57.9 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 118.365 -0.826 . . . . 72.23 111.457 -175.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.415 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 48.1 m95 -61.62 -39.3 90.77 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 118.923 0.783 . . . . 71.22 110.062 170.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' ASN . 64.7 tt0 -57.72 -44.62 86.08 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 115.375 -0.83 . . . . 71.41 110.435 172.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 65.9 mmt-85 -62.65 -42.32 99.54 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 122.595 0.358 . . . . 71.21 110.37 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.9 mt -59.36 -44.48 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.764 0.826 . . . . 72.32 111.128 -176.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.2 67.9 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 112.249 0.462 . . . . 72.01 112.249 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.11 -40.22 86.81 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.722 0.409 . . . . 75.51 110.616 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 80.3 mt -70.28 -48.69 55.6 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 123.278 0.631 . . . . 72.21 109.809 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 69.2 p -55.81 -43.47 76.92 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.104 0.877 . . . . 64.31 111.339 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.9 -45.49 85.7 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.155 0.909 . . . . 62.33 110.71 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.9 m -61.6 -60.31 3.88 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.97 0.508 . . . . 75.21 111.034 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.594 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -67.36 -20.8 65.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.596 0.759 . . . . 64.22 112.035 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.87 -55.37 26.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.565 -0.531 . . . . 61.54 109.565 170.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 50.1 mt-10 -66.49 -27.19 67.59 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.337 1.023 . . . . 62.3 111.162 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 32' ' ' LEU . 85.8 mt -71.35 -49.83 38.37 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.669 0.788 . . . . 71.54 110.274 175.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -61.63 -37.15 82.94 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.756 0.822 . . . . 74.43 111.484 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -68.99 -43.38 74.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.571 -1.195 . . . . 65.45 110.488 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -78.38 -10.24 59.6 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.722 0.809 . . . . 65.21 109.96 178.317 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.63 -2.91 45.79 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 119.262 -0.743 . . . . 71.1 114.79 170.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.91 92.05 0.69 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.444 0.698 . . . . 75.24 110.925 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -75.37 -32.11 60.72 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.112 -0.495 . . . . 74.34 110.286 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.54 -57.22 13.64 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.943 0.897 . . . . 74.53 110.368 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.626 ' HB3' HD13 ' A' ' 24' ' ' LEU . 95.5 mt -69.3 -35.29 75.83 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 114.658 -1.155 . . . . 73.54 111.226 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 25' ' ' ALA . 52.8 tp -54.22 -58.73 6.28 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.128 0.571 . . . . 42.02 111.085 173.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.592 HD21 HD12 ' A' ' 443' ' ' LEU . 53.4 mt -71.0 -24.15 62.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.059 0.943 . . . . 74.33 111.698 -174.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -68.11 -41.64 81.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.821 0.848 . . . . 75.42 109.807 173.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.13 -22.83 35.95 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.254 0.621 . . . . 70.21 111.42 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.91 -55.38 14.65 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.138 1.375 . . . . 53.24 111.411 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.1 m -59.99 -42.09 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.369 -1.287 . . . . 65.13 111.05 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -69.89 -36.47 75.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.531 0.732 . . . . 73.53 111.106 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 29.7 t80 -67.96 -59.38 3.32 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.747 1.219 . . . . 62.55 111.043 -176.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.25 -37.37 87.25 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.674 0.79 . . . . 73.42 110.697 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -55.15 -47.53 74.98 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.217 0.607 . . . . 71.51 110.869 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.467 ' HA ' HG22 ' A' ' 46' ' ' THR . 69.5 m -61.08 -40.75 94.9 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 123.876 0.735 . . . . 72.14 111.602 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG23 HD21 ' A' ' 457' ' ' LEU . 65.7 mt -65.34 -44.83 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.322 0.582 . . . . 71.23 110.686 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.1 -31.54 66.14 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.784 -0.644 . . . . 73.02 111.591 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 43' ' ' SER . 5.5 t -82.89 -26.26 31.71 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.59 0.356 . . . . 55.5 111.256 -175.141 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.85 -36.72 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 109.656 -0.498 . . . . 61.24 109.656 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mmt -73.96 -16.03 61.09 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.2 0.6 . . . . 75.03 111.978 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.29 -31.34 70.72 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.514 0.726 . . . . 71.52 109.778 170.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -104.35 11.46 34.68 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.287 1.035 . . . . 72.12 109.937 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.579 ' HG3' ' H ' ' A' ' 52' ' ' THR . 6.3 pt20 38.16 -94.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.668 1.987 . . . . 64.15 112.988 -172.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.579 ' H ' ' HG3' ' A' ' 51' ' ' GLN . 92.1 m -150.61 112.25 3.19 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 106.002 -1.851 . . . . 65.24 106.002 174.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' O ' HG12 ' A' ' 56' ' ' ILE . 81.3 Cg_exo -51.37 153.04 10.71 Favored 'Trans proline' 0 C--N 1.378 2.079 0 C-N-CA 123.204 2.603 . . . . 72.21 113.398 176.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.12 -24.03 28.47 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.262 1.975 . . . . 64.21 111.957 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -94.04 60.75 1.96 Allowed Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.973 -0.558 . . . . 52.35 112.268 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.438 HD13 HG23 ' A' ' 4' ' ' THR . 48.5 mm -108.31 105.97 19.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.108 -1.071 . . . . 74.12 108.108 172.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.7 t -74.89 172.28 12.52 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.5 0.5 . . . . 73.22 110.2 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -26.52 67.05 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.209 0.604 . . . . 70.11 110.914 -171.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 63' ' ' MET . 40.5 t -70.85 -51.82 24.11 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.88 0.872 . . . . 72.3 110.327 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.482 HG23 HG12 ' A' ' 8' ' ' ILE . 93.4 mt -61.67 -44.77 99.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 123.994 0.809 . . . . 74.33 110.139 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.04 -41.25 96.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.819 1.248 . . . . 72.33 111.418 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.37 -45.14 77.17 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.425 0.69 . . . . 74.1 111.104 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' A' ' 59' ' ' SER . 51.4 mtm -59.67 -58.64 7.71 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.09 0.556 . . . . 65.1 110.501 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.563 HG23 ' SD ' ' A' ' 464' ' ' MET . 26.4 m -66.01 -31.2 52.63 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.813 0 CA-C-N 115.453 -0.794 . . . . 73.42 111.824 -175.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.38 82.97 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.294 0.497 . . . . 74.05 110.496 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.14 93.33 Favored Glycine 0 C--N 1.355 1.605 0 CA-C-N 116.069 -0.514 . . . . 72.53 111.992 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.448 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 31.8 m-85 -67.95 -36.74 80.62 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.319 0.648 . . . . 71.23 111.396 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 64' ' ' VAL . 74.5 mt -71.08 -40.94 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.295 -0.631 . . . . 65.52 109.295 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -58.89 -43.94 91.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.359 0.664 . . . . 62.42 110.768 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.8 mt-30 -63.84 -51.58 64.05 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.389 -0.823 . . . . 73.41 110.89 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 68' ' ' ILE . 4.7 t -65.47 -31.61 72.78 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 123.713 0.633 . . . . 75.11 110.992 -174.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.34 -44.44 79.06 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.463 0.705 . . . . 75.13 111.116 175.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.422 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 25.1 t70 -59.9 -50.19 74.73 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.208 0.943 . . . . 74.11 110.419 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 54.2 m-20 -65.99 -44.86 83.6 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.481 -0.781 . . . . 74.42 110.888 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.632 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.2 tt0 -70.34 -24.74 63.04 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.227 1.011 . . . . 71.31 111.778 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.8 tt0 -66.62 -48.99 67.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.453 0.701 . . . . 54.33 109.664 171.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 75.8 mt -66.18 -32.51 73.99 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.498 -0.774 . . . . 62.13 110.522 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.3 mt -62.83 -49.2 75.86 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.459 0.704 . . . . 73.51 110.304 172.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -52.42 -50.63 62.17 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.916 0.887 . . . . 71.03 111.256 -177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.48 -44.23 59.0 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.618 0.574 . . . . 64.43 113.627 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.85 -56.85 16.67 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.975 0.91 . . . . 73.1 109.686 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.27 -30.1 71.31 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 114.855 -1.066 . . . . 73.34 111.0 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -62.14 -44.56 96.34 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 118.265 0.484 . . . . 50.3 110.947 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -62.9 -49.9 73.0 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 124.148 0.905 . . . . 72.15 109.875 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.6 mmp_? -57.53 -54.19 49.64 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 124.123 0.89 . . . . 73.32 111.138 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 443' ' ' LEU . 89.5 mt -61.87 -35.52 78.55 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.108 0.963 . . . . 53.24 112.501 -178.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.44 -44.4 95.86 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.597 0.759 . . . . 70.31 109.726 176.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.1 mt-10 -68.86 -50.47 49.6 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.888 -1.051 . . . . 73.22 110.691 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 85.1 mt -57.97 -44.37 87.05 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.886 0.874 . . . . 70.43 110.288 -177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.2 t -61.59 -45.67 93.1 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.017 0.927 . . . . 71.2 111.074 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.3 t -59.48 -39.25 83.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.829 0.852 . . . . 61.24 110.837 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 96.3 mt -73.0 -42.5 63.2 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.507 -0.77 . . . . 72.23 111.695 -177.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 89' ' ' LEU . 91.4 mt -60.79 -38.5 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.091 0.556 . . . . 74.12 109.949 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.52 -21.95 63.14 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 115.841 -0.618 . . . . 34.33 113.937 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.61 -57.19 3.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.732 0.813 . . . . 61.25 111.534 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.4 m -77.29 -39.75 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 111.948 0.351 . . . . 72.12 111.948 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.403 ' HG ' HD11 ' A' ' 113' ' ' ILE . 2.8 tt -78.54 112.25 15.42 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.203 -1.036 . . . . 63.54 108.203 -177.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.4 ' HB2' ' HG2' ' A' ' 107' ' ' PRO . 71.5 m-85 -86.81 87.91 7.56 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.342 -0.984 . . . . 74.52 108.342 174.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.403 ' HG3' ' H ' ' A' ' 99' ' ' GLN . 2.3 pp0? -71.67 -9.61 58.52 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.031 -0.986 . . . . 75.24 112.255 -173.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.51 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . -165.31 -76.56 0.03 OUTLIER Glycine 0 C--N 1.34 0.796 0 N-CA-C 111.571 -0.612 . . . . 73.15 111.571 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -84.86 -168.93 0.57 Allowed 'Trans proline' 0 C--N 1.377 2.076 0 C-N-CA 123.354 2.702 . . . . 71.2 113.262 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 m 64.97 36.23 7.68 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.732 1.213 . . . . 64.02 111.533 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.9 155.56 23.66 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.718 -1.128 . . . . 62.54 109.451 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.28 -29.8 75.54 Favored Glycine 0 C--N 1.35 1.342 0 O-C-N 123.101 0.251 . . . . 45.24 113.178 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.1 pp -125.21 -173.61 2.86 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.626 1.17 . . . . 74.52 108.246 169.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG13 ' HA2' ' A' ' 100' ' ' GLY . 59.4 t -98.23 104.95 25.62 Favored Pre-proline 0 CA--C 1.546 0.803 0 N-CA-C 108.409 -0.96 . . . . 63.22 108.409 173.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' ' 98' ' ' PHE . 69.0 Cg_endo -89.43 31.27 0.39 Allowed 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 123.384 2.722 . . . . 52.22 112.516 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -73.51 91.29 1.79 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.89 0.876 . . . . 74.24 109.506 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -94.56 151.31 20.09 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 111.215 -0.754 . . . . 24.53 111.215 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.7 m -82.96 63.4 7.03 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 122.029 0.918 . . . . 74.15 109.627 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 159.38 -59.26 0.32 Allowed Glycine 0 C--N 1.346 1.11 0 CA-C-N 114.696 -1.138 . . . . 74.35 111.021 -174.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -166.44 -156.08 9.31 Favored Glycine 0 C--N 1.352 1.447 0 CA-C-O 120.197 -0.224 . . . . 73.22 112.696 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.595 HG22 ' HG3' ' A' ' 114' ' ' GLU . 3.4 mp -112.96 -93.53 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.49 0 C-N-CA 123.723 0.809 . . . . 71.34 109.466 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.595 ' HG3' HG22 ' A' ' 113' ' ' ILE . 0.7 OUTLIER -169.7 165.06 10.1 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.327 1.051 . . . . 74.14 109.661 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 62.5 -145.65 49.68 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 113.85 0.3 . . . . 74.43 113.85 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 21.3 t -83.28 -20.3 34.71 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.225 0.61 . . . . 62.44 111.405 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -31.38 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 N-CA-C 109.093 -0.706 . . . . 73.22 109.093 175.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.469 ' HB2' ' N ' ' A' ' 114' ' ' GLU . 23.3 t70 -62.09 -45.86 91.64 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.287 0.635 . . . . 74.24 110.525 171.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.9 mt-10 -60.56 -50.91 71.63 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.612 1.195 . . . . 75.14 110.765 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 1.9 t -67.32 -34.53 77.56 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 123.626 0.579 . . . . 63.23 110.811 -173.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.43 -49.27 84.99 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 N-CA-C 109.365 -0.606 . . . . 55.3 109.365 169.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.04 70.0 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.174 0.989 . . . . 61.31 112.352 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 18.3 mmt180 -70.7 -56.61 6.01 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.506 -0.553 . . . . 52.15 109.506 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -69.54 -24.68 63.76 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.309 -0.86 . . . . 70.11 111.545 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -72.87 -41.86 64.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.673 0.789 . . . . 62.31 109.712 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.88 -52.8 62.64 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.705 0.628 . . . . 73.13 110.067 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -62.3 -38.16 88.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.605 0.566 . . . . 64.53 111.109 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -64.52 -60.02 3.63 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 119.157 -0.449 . . . . 72.43 110.168 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 56.8 m -52.61 -43.65 65.49 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.196 0.998 . . . . 51.35 112.386 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -75.22 -46.51 33.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.683 0.793 . . . . 73.03 111.86 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.592 HD12 HD21 ' A' ' 34' ' ' LEU . 9.1 mp -69.71 -23.03 63.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.295 0.238 . . . . 72.33 110.691 175.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.58 -43.96 21.97 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.911 0.884 . . . . 62.1 111.413 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.8 t -67.73 -34.03 76.03 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.448 -0.575 . . . . 64.2 109.448 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.637 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.5 ttt -61.73 -47.81 83.55 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 123.694 0.621 . . . . 73.04 109.633 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.401 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 15.8 ttm -57.13 -51.36 69.62 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.246 1.018 . . . . 72.4 112.605 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 5.4 p -65.26 -39.91 93.25 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.624 0.578 . . . . 64.13 111.401 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -71.44 -38.07 71.38 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 119.055 -0.498 . . . . 73.04 111.271 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.637 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.2 pp -76.43 -19.25 58.28 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.197 0.453 . . . . 63.34 110.613 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -75.78 -44.77 39.74 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.931 0.892 . . . . 54.33 109.314 174.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -58.21 -50.35 73.84 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 114.476 -1.238 . . . . 41.3 110.27 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 48.9 p -62.96 -59.72 4.44 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 115.111 -0.95 . . . . 71.21 110.149 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 93.2 p -51.99 -32.34 33.25 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.568 0.747 . . . . 70.31 112.399 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.445 ' O ' HG22 ' A' ' 458' ' ' THR . 28.6 t -59.91 -65.07 0.74 Allowed 'General case' 0 CA--C 1.549 0.917 0 O-C-N 123.652 0.595 . . . . 62.44 110.886 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -72.05 -20.22 61.71 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.379 0.511 . . . . 54.22 112.379 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.462 HD21 HG23 ' A' ' 44' ' ' ILE . 64.5 mt -75.51 -39.6 58.26 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.663 0.785 . . . . 63.43 110.881 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 455' ' ' SER . 5.8 t -70.7 -36.68 73.39 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.897 -0.408 . . . . 74.13 109.897 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 -63.83 -43.25 96.74 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 123.492 0.495 . . . . 53.13 110.204 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -66.96 -32.84 74.35 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.375 -0.829 . . . . 72.2 110.882 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -67.42 -52.66 36.99 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.896 0.479 . . . . 64.33 110.323 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 53.5 m -59.46 -39.5 83.83 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 124.136 0.898 . . . . 71.03 111.196 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 463' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 467' ' ' SER . . . -76.13 -52.01 11.0 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.873 0.469 . . . . 52.24 111.725 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' MET . . . . . 0.563 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.1 ttm -61.13 -33.21 73.03 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.926 0.49 . . . . 64.45 111.095 -177.27 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -81.01 -63.74 1.34 Allowed 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.057 -0.519 . . . . 73.3 109.935 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 79.57 1.85 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.52 0.563 . . . . 72.12 112.52 175.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 463' ' ' ALA . 9.8 t . . . . . 0 C--O 1.251 1.145 0 O-C-N 121.338 -0.851 . . . . 65.52 109.318 167.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptt? . . . . . 0 CA--C 1.55 0.957 0 CA-C-O 121.741 0.781 . . . . 74.11 110.611 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.1 p -64.8 -46.18 83.1 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 115.677 -0.692 . . . . 50.42 111.55 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -62.78 -38.97 92.75 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.808 0.843 . . . . 53.11 111.405 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 8' ' ' ILE . 20.9 m -75.76 -35.75 60.06 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.661 -0.7 . . . . 73.41 111.658 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.38 -40.09 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 117.86 0.3 . . . . 64.23 110.817 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.06 -31.22 71.58 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 120.92 0.391 . . . . 53.54 110.133 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' HE1' HG23 ' A' ' 52' ' ' THR . 37.2 t80 -57.73 -53.35 59.23 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.349 1.06 . . . . 70.42 110.875 170.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 4' ' ' THR . 77.9 mt -52.71 -57.47 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 C-N-CA 123.85 0.86 . . . . 52.55 110.504 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 80.0 m-20 -59.09 -47.53 84.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 113.435 -1.712 . . . . 73.12 111.972 -171.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' HE ' HG12 ' A' ' 47' ' ' VAL . 28.2 mtm180 -70.48 -44.23 68.12 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 118.509 -0.758 . . . . 74.2 112.071 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -60.72 -36.36 78.65 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 118.554 0.615 . . . . 72.45 110.924 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.5 tt0 -60.47 -47.6 85.42 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.133 -0.939 . . . . 75.32 109.571 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 70.8 mmt-85 -63.13 -37.15 86.06 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.498 0.499 . . . . 63.04 111.025 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.7 mt -61.77 -42.84 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.581 0.752 . . . . 72.13 110.145 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -42.67 74.76 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.957 0.503 . . . . 73.33 112.026 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 96.3 mt -65.77 -40.53 92.11 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.307 0.643 . . . . 62.12 111.134 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 81.3 mt -73.44 -46.44 48.45 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.76 0.824 . . . . 71.0 110.351 -176.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 51.9 p -57.38 -42.32 81.93 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.883 0.74 . . . . 71.34 110.81 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -59.19 -51.25 70.8 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.29 0.994 . . . . 52.42 111.146 173.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 49.3 m -57.63 -53.29 59.81 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.494 0.718 . . . . 71.13 111.349 -177.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.715 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.0 pp -74.86 -20.53 59.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.545 -0.752 . . . . 73.22 111.691 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.59 -44.03 83.3 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.569 -0.53 . . . . 73.45 109.569 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.9 -47.99 83.0 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.769 -1.105 . . . . 71.35 109.857 173.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD13 ' HB3' ' A' ' 32' ' ' LEU . 58.1 mt -65.17 -33.8 76.86 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.715 0.806 . . . . 73.22 111.801 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -68.32 -48.69 64.21 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.57 0.748 . . . . 73.41 111.22 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.48 -27.71 63.43 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.219 -0.446 . . . . 75.03 111.16 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -75.54 -18.88 59.65 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.466 0.707 . . . . 65.2 111.382 175.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.44 5.45 72.22 Favored Glycine 0 C--N 1.345 1.079 0 O-C-N 123.185 0.303 . . . . 71.21 113.281 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 83.74 2.64 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.049 0.54 . . . . 72.3 109.91 172.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -74.43 -34.54 63.25 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.176 -0.92 . . . . 63.52 111.117 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.18 -44.25 97.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.295 0.638 . . . . 72.02 110.351 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HB3' HD13 ' A' ' 24' ' ' LEU . 83.9 mt -74.07 -34.88 64.18 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.347 -0.842 . . . . 74.12 111.023 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.715 HD12 ' HB2' ' A' ' 21' ' ' LEU . 51.1 tp -56.5 -47.29 79.6 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.666 0.786 . . . . 64.03 110.497 173.299 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.588 HD21 HD12 ' A' ' 443' ' ' LEU . 84.0 mt -75.36 -24.59 57.33 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.087 0.955 . . . . 65.22 111.824 -177.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.61 -38.05 88.34 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.971 -0.381 . . . . 72.53 109.971 172.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 62.2 mm-40 -82.55 -29.16 30.53 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.165 -0.471 . . . . 70.43 110.94 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.09 -61.12 1.58 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 125.259 1.424 . . . . 71.02 111.84 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.5 m -59.05 -45.26 92.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 114.474 -1.239 . . . . 52.22 111.85 -173.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.7 m -68.15 -42.3 80.32 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.578 0.751 . . . . 62.51 111.739 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.5 t80 -67.34 -57.59 6.35 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 124.849 1.26 . . . . 70.23 111.256 -174.529 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.08 -39.28 89.32 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.089 -0.96 . . . . 71.25 110.466 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -55.55 -45.23 77.3 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.437 0.695 . . . . 74.03 111.317 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.401 ' HA ' HG22 ' A' ' 46' ' ' THR . 70.8 m -63.06 -40.72 98.53 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.739 0.649 . . . . 73.23 111.171 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.469 HG23 HD21 ' A' ' 457' ' ' LEU . 64.7 mt -63.02 -46.32 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-O 121.652 0.739 . . . . 75.21 110.323 175.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -63.02 -39.61 95.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 114.983 -1.008 . . . . 71.23 111.445 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.41 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 7.0 t -83.79 -24.67 30.93 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.062 0.393 . . . . 74.21 112.062 -172.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.512 HG12 ' HE ' ' A' ' 10' ' ' ARG . 27.2 m -74.86 -34.42 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 CA-C-N 118.551 0.614 . . . . 75.32 110.158 172.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 mmt -77.64 -25.89 50.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.996 0.519 . . . . 75.2 111.585 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 38.6 tt0 -72.94 -31.15 64.4 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.6 0.76 . . . . 72.15 109.695 170.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.529 ' HD2' ' HG3' ' A' ' 53' ' ' PRO . 1.5 tmtm? -75.48 -2.29 28.14 Favored 'General case' 0 CA--C 1.56 1.34 0 CA-C-N 115.25 -0.886 . . . . 71.43 109.735 173.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 70.42 9.39 6.94 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.706 1.602 . . . . 73.43 111.807 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.511 HG23 ' HE1' ' A' ' 7' ' ' PHE . 63.7 m 56.11 93.84 0.05 OUTLIER Pre-proline 0 CA--C 1.557 1.235 0 C-N-CA 124.346 1.058 . . . . 43.01 109.966 -168.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.529 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 67.7 Cg_exo -50.22 116.47 2.49 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 123.142 2.561 . . . . 73.1 112.251 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -63.63 -11.9 28.6 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.203 2.602 . . . . 73.42 114.448 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.49 58.3 5.03 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 122.775 0.226 . . . . 72.11 113.248 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 53' ' ' PRO . 31.9 mm -114.16 127.5 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.187 0.995 . . . . 72.31 108.837 -177.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 t -75.56 166.91 22.85 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 109.526 -0.546 . . . . 71.51 109.526 173.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -25.61 66.51 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.399 0.68 . . . . 74.52 111.399 -174.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -69.68 -51.84 31.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.677 0.791 . . . . 62.51 110.118 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.662 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 87.6 mt -66.17 -39.59 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.225 -0.898 . . . . 73.13 110.388 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -55.0 -43.37 73.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.712 1.205 . . . . 74.21 110.822 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.76 -45.35 75.17 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.695 0.622 . . . . 54.23 111.101 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.662 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 34.3 mtm -56.76 -57.17 13.6 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.198 0.599 . . . . 72.15 110.828 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.61 HG23 ' SD ' ' A' ' 464' ' ' MET . 34.9 m -68.91 -30.29 46.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-N 115.475 -0.784 . . . . 71.55 111.946 -175.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.8 83.85 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.734 -0.469 . . . . 53.24 109.734 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -63.13 -46.92 92.23 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 115.264 -0.88 . . . . 51.32 111.786 172.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.88 -37.56 87.39 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.587 0.755 . . . . 71.24 112.636 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 64' ' ' VAL . 67.4 mt -69.7 -43.01 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 108.955 -0.757 . . . . 73.41 108.955 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -40.04 84.02 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.689 0.796 . . . . 75.23 110.457 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 76.1 mt-30 -63.17 -51.56 65.89 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.514 0.725 . . . . 73.11 110.156 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.67 -30.19 69.67 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.499 -0.773 . . . . 62.05 110.958 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.8 -43.62 79.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.805 0.842 . . . . 62.34 110.801 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.92 -54.19 49.74 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.207 0.942 . . . . 71.4 110.184 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.41 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 36.3 m-20 -66.16 -40.88 90.87 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.254 -0.884 . . . . 71.31 111.226 -174.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.5 tt0 -74.9 -25.11 58.7 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.937 0.895 . . . . 72.01 111.429 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.62 -35.2 65.3 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.617 -0.512 . . . . 75.25 109.617 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.14 -32.56 69.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.749 -0.659 . . . . 73.23 110.48 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -63.76 -46.64 84.35 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.009 0.524 . . . . 71.43 109.865 171.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -53.18 -49.6 66.35 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.139 -0.937 . . . . 73.44 110.925 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.02 -47.7 30.02 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 123.519 0.512 . . . . 61.53 113.591 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.26 -57.57 11.85 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.114 0.966 . . . . 72.22 109.763 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.461 HD22 HD23 ' A' ' 443' ' ' LEU . 78.7 mt -65.52 -26.9 68.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.486 -0.779 . . . . 54.45 111.36 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -56.98 -49.76 74.75 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 118.476 0.58 . . . . 51.43 110.495 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -62.23 -49.52 75.41 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 124.426 1.079 . . . . 65.1 110.055 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 1.6 mmp_? -56.14 -52.59 63.78 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.791 0.837 . . . . 72.43 111.415 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 443' ' ' LEU . 98.1 mt -68.61 -32.35 72.18 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.951 0.9 . . . . 73.12 112.59 -177.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.97 -46.87 82.69 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 121.289 0.566 . . . . 63.01 109.996 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 41.6 mt-10 -61.56 -51.63 67.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.7 -1.137 . . . . 74.32 110.183 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 77.0 mt -57.97 -43.32 86.41 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.521 0.728 . . . . 75.43 111.157 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.6 t -62.28 -40.91 97.81 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.377 0.671 . . . . 61.32 110.997 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.6 t -65.43 -40.3 93.13 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.183 0.593 . . . . 72.54 110.808 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.2 mt -66.75 -42.07 86.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.837 0.855 . . . . 74.34 111.264 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.1 mt -65.64 -38.12 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.074 0.95 . . . . 70.32 109.707 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.56 -31.08 76.42 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 116.314 -0.403 . . . . 53.23 113.069 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.98 -40.19 24.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.217 0.607 . . . . 61.12 112.024 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.71 -32.02 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 112.813 0.672 . . . . 64.33 112.813 -168.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 99' ' ' GLN . 1.0 OUTLIER -72.67 112.35 8.64 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 108.642 -0.873 . . . . 73.25 108.642 -177.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.09 76.94 5.59 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 108.118 -1.067 . . . . 73.25 108.118 171.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.474 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -91.77 11.79 23.51 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.798 0.839 . . . . 74.31 111.776 -173.639 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 159.05 -69.1 0.26 Allowed Glycine 0 C--N 1.337 0.634 0 N-CA-C 110.968 -0.853 . . . . 71.41 110.968 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.78 -165.43 0.33 Allowed 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 122.944 2.429 . . . . 75.13 111.783 170.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.0 m 64.57 27.95 13.31 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.229 1.012 . . . . 74.44 111.408 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -161.28 154.47 21.29 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.099 0.96 . . . . 61.21 109.892 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.56 -33.04 56.82 Favored Glycine 0 C--N 1.348 1.21 0 O-C-N 123.418 0.449 . . . . 72.5 112.021 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.47 -176.5 3.52 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.388 1.075 . . . . 75.32 109.878 172.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.5 t -103.23 99.1 13.52 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 108.937 -0.764 . . . . 74.1 108.937 175.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -91.9 24.2 0.54 Allowed 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 123.772 2.982 . . . . 72.31 112.63 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.1 ttp-105 -70.7 84.41 0.64 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.733 0.813 . . . . 74.12 110.385 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -131.45 93.73 0.3 Allowed Glycine 0 C--N 1.337 0.628 0 N-CA-C 110.283 -1.127 . . . . 53.01 110.283 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 70.2 m -66.83 104.27 1.3 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.709 0.404 . . . . 64.44 110.099 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 115.22 -3.77 22.16 Favored Glycine 0 C--N 1.341 0.859 0 CA-C-N 115.661 -0.699 . . . . 73.52 112.723 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -172.89 106.22 0.23 Allowed Glycine 0 C--N 1.356 1.661 0 CA-C-N 117.183 0.492 . . . . 64.01 113.778 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.517 ' O ' ' HB2' ' A' ' 430' ' ' ASP . 2.9 mp -124.44 100.42 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 107.165 -1.421 . . . . 75.3 107.165 170.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -46.93 115.35 1.04 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.193 0.997 . . . . 73.41 113.655 -169.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 136.16 -172.73 22.25 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 115.739 -0.664 . . . . 52.41 112.039 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 23.3 t -75.51 -13.94 60.39 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.21 0.604 . . . . 75.4 110.706 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -39.69 80.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 123.474 0.71 . . . . 74.24 109.872 171.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 113' ' ' ILE . 26.3 t70 -57.09 -40.88 77.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.577 0.751 . . . . 73.52 111.376 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 50.5 mt-10 -68.03 -52.38 36.11 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 124.032 0.832 . . . . 63.25 111.046 -176.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.2 t -66.59 -34.63 78.31 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.15 0.281 . . . . 33.11 111.008 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.61 -41.31 91.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 C-N-CA 122.584 0.354 . . . . 63.1 110.208 173.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.23 98.78 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.172 0.589 . . . . 71.05 111.808 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 27.8 mmt180 -68.78 -50.62 48.83 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.935 0.494 . . . . 64.41 110.406 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -71.29 -29.1 64.64 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.356 -0.838 . . . . 64.55 111.852 -177.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -68.35 -43.5 77.33 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 109.421 -0.585 . . . . 74.15 109.421 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.96 -57.72 11.46 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 123.853 0.72 . . . . 60.22 109.932 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.15 -44.71 83.68 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.226 0.611 . . . . 73.41 111.696 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -62.91 -62.58 1.62 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.742 0.417 . . . . 71.32 110.739 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 37.6 m -63.52 -34.01 76.84 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.856 0.862 . . . . 73.2 112.372 -171.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -69.6 -46.18 66.89 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.388 0.675 . . . . 35.51 111.442 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.588 HD12 HD21 ' A' ' 34' ' ' LEU . 9.8 mp -73.79 -20.28 60.52 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.399 0.28 . . . . 75.42 110.947 175.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -79.77 -43.58 22.25 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.314 1.046 . . . . 74.14 110.909 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.0 t -69.14 -35.55 76.48 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.782 -0.821 . . . . 64.4 108.782 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.619 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -60.22 -44.09 95.45 Favored 'General case' 0 C--N 1.364 1.213 0 O-C-N 123.547 0.529 . . . . 72.04 109.874 172.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.507 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 35.7 ttm -62.36 -53.86 48.85 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.11 0.881 . . . . 74.33 112.371 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 26.0 p -60.06 -38.44 82.83 Favored 'General case' 0 C--O 1.247 0.953 0 O-C-N 123.553 0.533 . . . . 71.34 110.972 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.98 -49.84 64.14 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 115.597 -0.729 . . . . 74.24 110.835 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.619 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.1 pp -70.41 -19.34 63.01 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 123.132 0.27 . . . . 74.03 111.537 -174.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -75.11 -50.47 16.27 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.751 0.821 . . . . 72.04 109.178 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -61.87 -41.81 98.31 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 115.141 -0.936 . . . . 73.22 110.581 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 56.0 p -65.49 -56.64 11.3 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.557 -0.735 . . . . 70.22 109.718 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 88.9 p -53.25 -32.62 49.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.206 0.603 . . . . 64.12 112.096 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.9 t -60.38 -64.22 1.03 Allowed 'General case' 0 CA--C 1.55 0.958 0 O-C-N 123.771 0.669 . . . . 51.01 110.872 174.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -71.48 -21.36 61.95 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.474 0.546 . . . . 74.14 112.474 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.469 HD21 HG23 ' A' ' 44' ' ' ILE . 65.8 mt -73.79 -39.17 64.33 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.37 0.668 . . . . 65.14 110.755 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 8.0 t -74.36 -33.02 62.98 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 110.381 -0.229 . . . . 74.14 110.381 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -67.95 -41.56 82.29 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.93 0.492 . . . . 75.25 110.587 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -70.52 -33.67 71.45 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.324 0.65 . . . . 73.21 109.539 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -67.03 -37.26 83.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.347 0.659 . . . . 74.11 110.438 174.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 76.8 m -61.74 -39.71 92.52 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.462 0.305 . . . . 64.32 110.529 175.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.23 -51.87 22.22 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.344 -0.389 . . . . 72.21 111.423 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' MET . . . . . 0.61 ' SD ' HG23 ' A' ' 64' ' ' VAL . 58.6 ttm -62.05 -33.14 73.83 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.856 0.862 . . . . 74.45 111.254 -176.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -79.83 -65.12 1.04 Allowed 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 108.74 -0.837 . . . . 70.55 108.74 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.4 79.96 1.8 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.119 0.568 . . . . 72.03 111.987 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 64.1 m . . . . . 0 C--O 1.253 1.276 0 C-N-CA 123.466 0.706 . . . . 73.23 111.58 166.101 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.517 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 13.7 ptt? . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.946 0.403 . . . . 71.43 110.04 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 p -54.68 -48.8 71.96 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.737 0.815 . . . . 75.34 112.38 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -68.35 -35.13 77.29 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.338 0.655 . . . . 43.24 111.494 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 1' ' ' MET . 41.4 m -71.57 -37.95 70.99 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.211 0.604 . . . . 75.45 111.685 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 p -79.53 -37.26 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.604 0.362 . . . . 74.43 110.614 -175.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.67 -33.69 75.42 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.757 -0.46 . . . . 73.1 109.757 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HE1' HG23 ' A' ' 52' ' ' THR . 53.4 t80 -55.06 -56.59 18.06 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.973 0.909 . . . . 64.04 110.434 169.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.533 HG12 HG23 ' A' ' 60' ' ' ILE . 81.3 mt -55.2 -60.75 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.821 0.848 . . . . 75.14 111.447 -178.006 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.472 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 63.5 m-80 -59.88 -45.33 92.85 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.291 0.994 . . . . 72.41 111.525 -173.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.3 mtm180 -72.44 -32.88 66.66 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.361 -0.828 . . . . 61.31 112.387 -174.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.435 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 57.2 m95 -64.13 -38.03 89.58 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 118.744 0.702 . . . . 75.13 110.325 171.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -62.81 -40.01 96.08 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.656 0.597 . . . . 75.53 110.157 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 34.1 mmt180 -61.26 -52.37 65.04 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 109.07 -0.715 . . . . 72.4 109.07 175.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.7 mt -52.67 -42.14 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.738 1.215 . . . . 74.15 111.491 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.62 65.06 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.777 0.831 . . . . 51.21 112.178 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.5 mt -74.39 -31.41 62.34 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.119 0.568 . . . . 53.13 111.239 -176.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.9 mt -71.93 -50.86 25.46 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 118.724 -0.655 . . . . 71.22 109.333 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.535 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 67.8 p -55.36 -44.64 76.19 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 124.248 0.967 . . . . 73.55 111.072 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.12 -48.47 81.49 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 124.283 0.989 . . . . 65.31 111.111 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -65.22 -53.15 48.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.275 0.63 . . . . 64.44 111.767 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.59 ' HA ' HD12 ' A' ' 24' ' ' LEU . 4.3 pp -69.8 -20.99 63.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.944 0.497 . . . . 72.35 111.54 -177.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.42 ' O ' ' HG3' ' A' ' 26' ' ' GLN . 65.9 tp -64.09 -52.18 60.5 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.033 -0.729 . . . . 71.24 109.033 171.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.78 -37.82 66.5 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.168 0.987 . . . . 75.41 110.735 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 21' ' ' LEU . 70.6 mt -68.42 -44.38 75.12 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.139 0.976 . . . . 72.35 111.19 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -65.98 -38.36 88.34 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.298 0.639 . . . . 64.33 111.36 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.421 ' HA ' HD11 ' A' ' 81' ' ' LEU . 54.3 mt-30 -68.89 -33.1 73.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.587 0.755 . . . . 42.11 110.571 177.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.595 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -78.04 -14.21 59.59 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.885 0.874 . . . . 63.44 111.611 175.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.52 12.84 79.65 Favored Glycine 0 C--N 1.345 1.037 0 O-C-N 123.146 0.279 . . . . 54.44 113.25 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.595 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 25.6 mm-40 -77.5 86.79 3.85 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.972 0.909 . . . . 74.22 109.54 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -76.06 -35.22 59.53 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.234 -0.439 . . . . 75.52 110.929 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.57 -46.82 81.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.688 0.795 . . . . 74.44 109.888 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 24' ' ' LEU . 93.9 mt -68.97 -35.55 76.88 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 114.877 -1.056 . . . . 70.35 111.092 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 21' ' ' LEU . 61.8 tp -61.07 -49.54 76.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.751 0.82 . . . . 72.41 110.786 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.562 HD21 HD12 ' A' ' 443' ' ' LEU . 96.0 mt -68.87 -30.31 68.8 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.894 0.877 . . . . 73.54 111.402 -176.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -58.49 -44.73 89.5 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.199 0.523 . . . . 74.42 110.036 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -88.56 -11.58 45.21 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.243 -0.89 . . . . 73.23 112.387 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -54.42 -54.53 39.49 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.347 0.659 . . . . 74.12 111.165 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -62.73 -43.6 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.139 -0.937 . . . . 55.04 111.909 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.0 p -65.74 -45.07 84.0 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.187 0.595 . . . . 54.41 110.297 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.8 t80 -63.22 -64.68 0.84 Allowed 'General case' 0 C--O 1.242 0.709 0 C-N-CA 124.71 1.204 . . . . 64.23 112.145 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.38 -43.53 88.54 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.192 0.932 . . . . 62.52 111.058 -175.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 20.7 tm0? -62.61 -41.22 98.85 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-O 119.344 -0.36 . . . . 41.23 110.923 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.9 m -59.07 -40.12 84.22 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.16 0.287 . . . . 71.1 111.482 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.588 HG23 HD21 ' A' ' 457' ' ' LEU . 68.0 mt -62.7 -50.0 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 121.75 0.786 . . . . 73.4 110.412 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.48 -35.77 81.55 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.879 -1.055 . . . . 74.32 111.577 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -83.82 -28.23 28.21 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 112.088 0.403 . . . . 75.41 112.088 -173.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.1 m -70.54 -29.15 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 118.603 0.638 . . . . 73.12 109.603 169.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.3 mmt -83.22 -15.03 52.02 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.118 0.567 . . . . 73.42 112.523 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.78 -31.26 71.03 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.316 -0.624 . . . . 74.42 109.316 165.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -91.99 6.56 45.86 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.973 -1.012 . . . . 75.12 110.747 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 46.32 26.98 0.52 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 126.797 2.039 . . . . 73.52 113.862 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.492 HG23 ' HE1' ' A' ' 7' ' ' PHE . 53.0 m 56.51 95.74 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 123.999 0.92 . . . . 74.3 110.366 -170.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.471 ' O ' HG12 ' A' ' 56' ' ' ILE . 12.1 Cg_endo -54.3 128.86 31.76 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.844 2.363 . . . . 64.43 111.049 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.37 -12.37 25.1 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.343 2.028 . . . . 65.21 113.573 -173.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.71 68.03 3.45 Favored Glycine 0 C--N 1.355 1.622 0 N-CA-C 111.493 -0.643 . . . . 74.14 111.493 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 53' ' ' PRO . 47.5 mm -126.79 119.87 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.59 1.156 . . . . 64.31 108.663 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -74.53 165.1 25.76 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.77 -0.455 . . . . 70.11 109.77 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.31 -20.48 65.62 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.884 0.474 . . . . 54.03 111.187 -173.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.3 t -70.68 -51.16 29.47 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.28 0.632 . . . . 55.12 110.622 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.533 HG23 HG12 ' A' ' 8' ' ' ILE . 83.3 mt -63.49 -42.25 95.56 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 123.347 0.659 . . . . 70.33 109.73 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -56.52 -41.45 76.77 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.848 1.259 . . . . 74.01 111.38 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -63.28 -49.02 75.7 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.375 0.67 . . . . 72.11 110.788 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.439 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 51.5 mtm -57.45 -55.79 30.29 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.88 0.737 . . . . 72.34 110.719 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.61 HG23 ' SD ' ' A' ' 464' ' ' MET . 31.2 m -70.89 -31.29 45.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.533 -0.758 . . . . 74.41 112.228 -172.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.55 -38.75 91.26 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.953 -0.388 . . . . 54.25 109.953 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.81 -41.13 99.91 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-N 115.862 -0.608 . . . . 65.11 111.774 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.5 m-85 -66.34 -37.3 85.02 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.343 0.657 . . . . 74.14 111.548 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 64' ' ' VAL . 59.2 mt -71.1 -38.55 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 109.332 -0.618 . . . . 64.33 109.332 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -58.08 -46.21 85.85 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.572 0.749 . . . . 73.45 109.413 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -58.75 -54.98 41.01 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.821 0.701 . . . . 71.21 110.302 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 68' ' ' ILE . 4.6 t -65.22 -31.29 72.39 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.272 -0.876 . . . . 74.35 111.686 -170.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.31 -48.15 68.44 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.073 0.549 . . . . 73.25 110.409 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.07 -52.99 63.36 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.649 0.78 . . . . 73.14 110.342 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -64.53 -44.32 91.21 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.97 -1.013 . . . . 35.04 111.166 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.562 ' HA ' HD12 ' A' ' 78' ' ' LEU . 43.5 tt0 -70.17 -26.29 63.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.861 0.865 . . . . 62.32 112.11 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -68.82 -42.4 77.31 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.136 0.493 . . . . 72.23 109.783 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.88 -33.19 74.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.296 -0.865 . . . . 75.3 110.785 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 75' ' ' GLU . 95.7 mt -62.32 -49.35 75.96 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.901 0.48 . . . . 74.32 109.748 172.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.02 -50.67 66.13 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.866 0.866 . . . . 74.13 111.092 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.29 -47.46 63.73 Favored Glycine 0 C--N 1.354 1.542 0 O-C-N 123.538 0.524 . . . . 55.44 113.754 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 26' ' ' GLN . 6.9 tt -64.86 -53.43 46.76 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.849 0.859 . . . . 63.04 110.139 -174.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.31 -30.21 71.04 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 123.432 0.693 . . . . 71.22 110.805 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.3 tt0 -61.67 -41.81 98.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.836 0.454 . . . . 71.31 110.519 175.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -62.11 -45.53 93.05 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.569 -0.741 . . . . 75.13 110.757 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 8.2 mmp_? -61.01 -46.79 89.33 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.316 0.646 . . . . 74.53 111.126 -178.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.77 -37.4 87.48 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.933 0.893 . . . . 72.44 111.262 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.01 -42.17 97.23 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 123.92 0.762 . . . . 75.43 110.668 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 72.2 mt-10 -70.11 -45.76 66.25 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.069 -0.969 . . . . 71.5 110.696 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.96 -35.83 79.62 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.791 0.436 . . . . 64.34 110.794 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 t -64.93 -43.65 92.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.61 0.764 . . . . 73.04 110.308 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 p -69.14 -33.44 73.45 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 123.244 0.34 . . . . 74.15 111.038 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 96' ' ' VAL . 94.9 mt -63.57 -62.21 1.81 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.833 0.453 . . . . 74.44 109.985 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 69.7 mt -54.97 -46.46 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.585 1.154 . . . . 75.05 111.146 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.83 -37.86 80.34 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 123.997 0.811 . . . . 75.22 113.972 -174.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -85.88 -41.62 14.81 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 122.941 0.496 . . . . 65.01 111.674 -176.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 433' ' ' VAL . 30.4 m -81.67 -35.85 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 N-CA-C 112.181 0.437 . . . . 71.41 112.181 -173.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 99' ' ' GLN . 1.6 tt -75.98 115.14 15.39 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 107.994 -1.113 . . . . 74.45 107.994 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -86.12 92.11 8.63 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.389 -0.967 . . . . 75.44 108.389 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.484 ' HB3' HD22 ' A' ' 97' ' ' LEU . 3.8 pp0? -114.34 -12.51 12.39 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.822 -1.081 . . . . 64.5 110.672 -178.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.87 -67.56 0.01 OUTLIER Glycine 0 C--N 1.343 0.937 0 N-CA-C 111.239 -0.744 . . . . 71.23 111.239 -177.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -87.86 170.41 6.26 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.861 2.374 . . . . 61.34 113.123 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.1 m 66.55 25.81 9.98 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.86 1.264 . . . . 55.32 113.401 168.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.513 ' HB3' ' HG3' ' A' ' 107' ' ' PRO . . . -139.03 152.02 47.26 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.718 0.807 . . . . 64.21 110.265 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.35 -60.8 2.95 Favored Glycine 0 C--N 1.344 0.975 0 O-C-N 123.401 0.438 . . . . 75.54 112.242 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 pp -73.68 169.07 18.07 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.589 0.756 . . . . 73.51 110.738 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.36 106.93 1.17 Allowed Pre-proline 0 C--N 1.357 0.908 0 N-CA-C 108.539 -0.912 . . . . 62.41 108.539 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.513 ' HG3' ' HB3' ' A' ' 103' ' ' ALA . 41.9 Cg_endo -96.51 16.57 0.74 Allowed 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 122.93 2.42 . . . . 73.02 112.796 -173.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.27 86.56 0.41 Allowed 'General case' 0 C--N 1.36 1.036 0 CA-C-O 121.669 0.747 . . . . 63.13 109.02 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.98 86.22 0.14 Allowed Glycine 0 CA--C 1.506 -0.481 0 N-CA-C 109.683 -1.367 . . . . 45.01 109.683 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.0 m -63.1 -16.68 60.77 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.096 0.959 . . . . 72.22 112.279 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.36 -35.21 84.06 Favored Glycine 0 C--N 1.355 1.626 0 O-C-N 123.396 0.435 . . . . 71.12 112.342 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.75 -160.73 26.64 Favored Glycine 0 C--N 1.352 1.468 0 O-C-N 123.83 0.371 . . . . 63.15 112.834 172.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.606 HG22 ' H ' ' A' ' 114' ' ' GLU . 1.1 mp -111.69 -159.25 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 N-CA-C 105.581 -2.007 . . . . 51.43 105.581 176.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.606 ' H ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -129.61 157.56 41.74 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 119.144 0.884 . . . . 72.21 109.767 165.067 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 96.46 -168.89 25.67 Favored Glycine 0 C--O 1.242 0.638 0 CA-C-N 115.996 -0.547 . . . . 52.35 111.771 -176.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 32.9 t -69.73 -27.99 65.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.567 0.747 . . . . 65.34 111.204 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 433' ' ' VAL . 0.0 OUTLIER -58.55 -41.03 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.936 0.894 . . . . 74.42 109.761 177.632 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.32 -46.88 84.61 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.425 0.69 . . . . 74.42 111.283 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.5 mt-10 -70.79 -35.51 72.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.332 -0.849 . . . . 73.25 111.749 -173.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.0 t -70.3 -38.66 75.04 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 110.168 -0.308 . . . . 65.31 110.168 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.491 HG22 HG23 ' A' ' 96' ' ' VAL . 76.7 t -59.34 -41.12 83.24 Favored 'Isoleucine or valine' 0 C--N 1.364 1.222 0 O-C-N 123.458 0.474 . . . . 54.45 110.13 171.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.56 79.21 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.786 0.834 . . . . 40.15 111.096 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 439' ' ' GLN . 16.3 mmt180 -69.91 -47.03 64.08 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.107 -0.331 . . . . 72.44 110.107 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -61.65 -42.94 99.59 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 123.638 0.586 . . . . 71.41 111.438 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -73.34 -30.63 63.46 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.966 0.792 . . . . 73.34 110.542 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.0 -53.24 58.36 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.389 -0.597 . . . . 64.3 109.389 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 23.9 mm-40 -61.6 -38.01 86.03 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.618 -0.719 . . . . 51.23 110.246 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -65.36 -63.37 1.12 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.956 -0.566 . . . . 60.14 110.081 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 76.9 m -61.05 -35.95 78.3 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.38 1.072 . . . . 71.51 112.288 -172.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 95.8 mt-30 -70.01 -47.95 60.04 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.188 0.595 . . . . 74.44 111.523 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.562 HD12 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -72.06 -19.85 61.76 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 122.5 0.32 . . . . 74.53 111.36 176.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.58 -46.77 24.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.651 1.181 . . . . 63.44 110.39 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.1 t -70.8 -33.88 71.18 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 109.765 -0.457 . . . . 73.21 109.765 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.49 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.2 ttt -59.49 -44.27 93.11 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 123.344 0.657 . . . . 63.32 110.167 173.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.56 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 26.8 ttm -65.5 -48.16 73.52 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.971 0.909 . . . . 73.24 112.511 -176.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 13.7 p -61.94 -39.26 91.5 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.6 0.562 . . . . 73.42 110.685 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -66.95 -45.18 78.55 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 115.771 -0.649 . . . . 73.4 111.143 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.56 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 3.1 pp -75.02 -17.8 60.45 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 118.052 0.387 . . . . 72.41 111.71 -175.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.66 -45.24 38.18 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.005 -0.739 . . . . 64.4 109.005 173.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -59.02 -47.13 86.31 Favored 'General case' 0 C--O 1.254 1.338 0 C-N-CA 124.131 0.972 . . . . 75.24 110.55 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 456' ' ' TYR . 68.0 p -62.15 -57.17 12.53 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.329 -0.851 . . . . 64.44 110.009 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 63.0 p -50.27 -36.81 33.0 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.002 0.921 . . . . 53.01 112.337 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 42.5 m -56.68 -68.32 0.23 Allowed 'General case' 0 CA--C 1.551 1.012 0 O-C-N 123.988 0.805 . . . . 62.15 111.117 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 456' ' ' TYR . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 4.9 p90 -71.82 -20.39 61.84 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 113.202 0.815 . . . . 75.4 113.202 -174.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 44' ' ' ILE . 58.8 mt -71.25 -45.76 62.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.616 0.766 . . . . 71.53 110.486 178.137 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.3 t -70.11 -31.77 69.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 123.487 0.492 . . . . 72.21 110.643 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -64.1 -50.79 66.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.236 0.614 . . . . 54.03 110.769 173.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -61.4 -33.98 74.59 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 114.771 -1.104 . . . . 72.23 110.426 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -69.74 -41.41 75.3 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 123.852 0.861 . . . . 71.54 111.056 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 23.8 m -60.26 -43.92 95.75 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.493 0.496 . . . . 35.31 110.538 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -70.86 -50.02 39.82 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.909 -0.587 . . . . 62.23 111.435 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' MET . . . . . 0.61 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.3 ttm -63.16 -32.32 73.68 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.498 0.719 . . . . 60.55 111.65 -175.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -81.21 -60.03 2.43 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.611 -0.722 . . . . 63.33 109.102 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.2 77.0 1.51 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.506 0.67 . . . . 64.14 111.786 177.736 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 CA--C 1.561 1.385 0 C-N-CA 123.201 0.601 . . . . 70.11 111.388 165.446 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptt? . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 121.064 0.459 . . . . 65.42 109.799 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.7 p -58.49 -51.38 70.12 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.262 1.025 . . . . 75.21 111.91 -174.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -58.65 -45.55 89.08 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.408 1.083 . . . . 72.11 111.118 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.508 ' O ' HG13 ' A' ' 8' ' ' ILE . 13.8 m -72.9 -37.44 67.25 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.226 -0.897 . . . . 45.03 111.761 -174.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.2 p -75.14 -41.19 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 117.871 0.305 . . . . 63.33 111.147 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.91 -33.75 76.26 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 110.111 -0.329 . . . . 74.01 110.111 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 4' ' ' THR . 40.3 t80 -52.71 -53.84 42.01 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.337 1.055 . . . . 72.02 110.312 168.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.547 HG12 HG23 ' A' ' 60' ' ' ILE . 75.9 mt -55.81 -55.53 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.911 0.884 . . . . 71.0 111.325 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 55.3 m-80 -56.92 -49.4 75.73 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.039 0.837 . . . . 73.24 111.653 -176.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.593 HH22 ' HG2' ' A' ' 50' ' ' LYS . 35.9 mtm180 -65.96 -42.8 89.46 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.752 0.657 . . . . 52.13 111.7 -174.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -63.44 -37.12 86.06 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.931 0.332 . . . . 64.15 111.148 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.14 -43.39 95.75 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.476 0.485 . . . . 65.02 109.968 173.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 34.3 mmt-85 -58.84 -52.92 63.66 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 109.541 -0.54 . . . . 65.14 109.541 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.0 mt -55.05 -39.33 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.315 1.046 . . . . 64.25 111.308 -176.09 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.55 63.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.414 0.685 . . . . 50.02 112.377 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.47 -38.73 84.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.282 0.633 . . . . 71.21 110.484 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.8 mt -69.72 -49.5 52.64 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 115.232 -0.895 . . . . 75.44 109.605 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.425 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 77.2 p -55.02 -44.04 74.21 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.249 0.62 . . . . 71.04 111.292 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.81 -52.54 62.77 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 123.974 0.796 . . . . 61.33 111.205 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -62.69 -46.05 89.96 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.405 0.441 . . . . 61.35 112.116 -173.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.564 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.4 pp -73.85 -26.15 60.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.623 0.369 . . . . 73.53 111.874 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.41 -44.38 96.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.025 0.441 . . . . 75.3 110.111 173.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.65 -42.44 98.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.937 -1.029 . . . . 75.25 110.221 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 21' ' ' LEU . 72.6 mt -64.27 -35.53 81.15 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.416 0.687 . . . . 71.21 111.122 177.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.513 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -69.76 -49.83 49.26 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.69 0.796 . . . . 73.42 111.531 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -70.97 -26.45 63.17 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.128 0.571 . . . . 71.41 111.115 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -73.84 -26.61 60.68 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.901 0.48 . . . . 74.22 111.104 173.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.47 3.26 55.4 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 123.356 0.41 . . . . 63.32 113.215 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.01 81.43 1.71 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.708 0.803 . . . . 72.52 109.661 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -71.93 -34.81 69.34 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.442 -0.799 . . . . 72.51 110.698 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.68 -43.01 99.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.938 0.895 . . . . 72.22 110.38 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.6 mt -78.66 -31.2 46.65 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.845 -1.07 . . . . 74.42 110.73 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 21' ' ' LEU . 47.6 tp -60.5 -46.37 90.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.421 0.689 . . . . 71.31 110.335 172.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 443' ' ' LEU . 85.8 mt -74.35 -26.71 60.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.229 1.012 . . . . 64.15 110.787 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -61.02 -40.48 93.76 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.0 -0.545 . . . . 62.41 109.796 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -85.62 -22.94 27.74 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.511 -0.768 . . . . 73.13 111.83 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -51.88 -48.93 63.85 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.315 1.046 . . . . 71.45 111.213 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -56.87 -52.56 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 124.176 0.923 . . . . 75.04 111.386 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.9 p -69.69 -39.08 77.16 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.656 0.782 . . . . 61.03 111.326 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.9 t80 -65.7 -62.96 1.22 Allowed 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.442 1.097 . . . . 70.14 111.775 -174.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.0 -34.99 79.25 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.687 -0.688 . . . . 51.54 110.569 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.53 -43.78 89.35 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.688 0.395 . . . . 64.34 111.169 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.525 ' HA ' HG22 ' A' ' 46' ' ' THR . 73.1 m -66.29 -36.53 83.21 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.481 0.488 . . . . 73.13 111.684 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.594 HG23 HD21 ' A' ' 457' ' ' LEU . 62.9 mt -66.27 -44.83 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 121.944 0.878 . . . . 64.21 110.231 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.29 -36.04 82.82 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.884 -1.053 . . . . 73.21 111.196 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.5 t -81.83 -31.2 31.8 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 119.067 -0.492 . . . . 70.43 112.119 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.0 m -67.01 -39.16 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 118.895 0.771 . . . . 73.41 110.288 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 25.1 mmt -79.78 -25.45 40.96 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.289 -0.414 . . . . 71.22 111.985 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.95 -30.0 63.52 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.277 -0.638 . . . . 55.25 109.277 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HG2' HH22 ' A' ' 10' ' ' ARG . 50.0 tptt -73.88 -0.23 15.37 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.978 0.911 . . . . 53.15 110.76 171.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 72.53 10.51 5.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.832 1.653 . . . . 73.03 111.245 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 58.2 m 51.99 94.12 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.886 1.274 . . . . 70.41 110.521 -170.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 52' ' ' THR . 10.1 Cg_endo -50.28 120.32 6.1 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 123.232 2.622 . . . . 74.43 111.926 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -80.92 -4.21 12.62 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 123.124 2.549 . . . . 64.24 114.772 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.99 62.84 4.58 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 112.184 -0.366 . . . . 64.44 112.184 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.4 mm -120.47 123.25 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.546 1.139 . . . . 74.05 109.737 -169.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -76.12 167.52 21.71 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.708 0.403 . . . . 64.22 110.069 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -66.37 -28.15 68.43 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.111 0.564 . . . . 71.21 111.853 -171.65 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.7 m -69.94 -48.22 59.27 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.235 0.614 . . . . 64.3 110.685 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.547 HG23 HG12 ' A' ' 8' ' ' ILE . 99.1 mt -68.9 -40.48 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 114.958 -1.019 . . . . 63.44 110.523 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.81 -36.1 80.15 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.537 1.135 . . . . 73.52 110.846 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.2 -39.52 68.54 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.604 -0.725 . . . . 52.22 110.64 177.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.434 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 53.3 mtm -57.72 -54.48 46.37 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.156 0.503 . . . . 75.14 110.241 176.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.637 HG23 ' SD ' ' A' ' 464' ' ' MET . 33.0 m -74.8 -25.41 18.8 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 CA-C-N 115.143 -0.935 . . . . 62.51 112.104 -173.375 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.85 85.41 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.56 -0.533 . . . . 61.0 109.56 170.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.7 -42.49 97.2 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 115.711 -0.677 . . . . 72.11 112.312 171.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.79 -37.59 82.24 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.163 0.585 . . . . 64.11 111.921 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 64' ' ' VAL . 73.5 mt -72.08 -38.89 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.898 -0.779 . . . . 71.32 108.898 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.15 -38.45 79.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.981 0.512 . . . . 72.12 110.755 174.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 66.3 mt-30 -63.5 -53.25 55.0 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 123.407 0.442 . . . . 71.11 110.641 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 68' ' ' ILE . 14.5 t -65.91 -30.91 71.58 Favored 'General case' 0 C--O 1.211 -0.966 0 O-C-N 123.589 0.555 . . . . 75.2 111.084 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.68 -45.93 73.78 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.806 0.442 . . . . 73.14 111.272 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.6 -52.24 66.0 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.823 0.702 . . . . 74.31 110.151 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -67.33 -41.67 84.87 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.304 -0.862 . . . . 62.31 111.287 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.472 ' HA ' HD12 ' A' ' 78' ' ' LEU . 34.2 tt0 -77.88 -20.91 52.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.688 0.795 . . . . 55.25 111.478 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -68.9 -40.38 79.16 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.382 0.673 . . . . 63.45 109.794 168.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.8 -32.95 65.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.381 -0.827 . . . . 71.14 110.715 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 75' ' ' GLU . 90.6 mt -65.98 -38.43 88.53 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.998 0.519 . . . . 75.21 109.889 171.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -59.32 -58.22 9.57 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 116.091 -0.504 . . . . 73.02 110.069 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -61.49 -48.62 83.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 123.977 0.798 . . . . 73.31 113.201 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.68 -56.81 11.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.672 0.789 . . . . 74.14 110.534 -173.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.52 -29.43 69.51 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.418 0.449 . . . . 73.33 111.445 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -65.24 -41.17 94.61 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 122.776 0.431 . . . . 72.4 110.941 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 28.5 mt-30 -64.28 -44.49 91.52 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.684 -0.689 . . . . 75.21 110.028 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 2.4 mmp_? -58.84 -47.18 85.76 Favored 'General case' 0 C--O 1.208 -1.107 0 O-C-N 123.971 0.794 . . . . 74.44 110.428 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.85 -35.93 82.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.51 0.724 . . . . 71.54 111.666 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.07 -46.28 91.31 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-O 121.385 0.612 . . . . 72.52 110.397 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.6 mt-10 -65.83 -54.06 31.75 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.723 -1.126 . . . . 74.44 110.527 178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 90.3 mt -56.01 -43.05 77.36 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.3 1.04 . . . . 62.44 110.794 -177.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -59.9 -47.07 87.26 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.46 0.704 . . . . 74.04 110.86 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.507 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 21.3 t -63.5 -42.58 98.5 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.845 0.715 . . . . 72.44 110.667 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 95.9 mt -61.26 -47.96 83.63 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.032 0.933 . . . . 62.43 111.467 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.6 -41.01 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.133 0.973 . . . . 74.12 109.805 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.18 -34.31 88.69 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-N 115.757 -0.656 . . . . 73.21 113.29 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 91' ' ' SER . 12.6 mm100 -78.88 -35.35 43.82 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.113 0.565 . . . . 72.35 111.728 -176.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.8 -40.64 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 N-CA-C 112.306 0.484 . . . . 72.11 112.306 -173.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tt -76.44 112.09 12.59 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 107.048 -1.464 . . . . 55.41 107.048 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -74.01 99.66 3.36 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.057 -1.09 . . . . 75.41 108.057 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -6.45 59.48 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.858 0.463 . . . . 73.21 111.809 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.8 -74.86 0.07 OUTLIER Glycine 0 C--N 1.34 0.768 0 N-CA-C 110.431 -1.068 . . . . 70.21 110.431 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.96 154.29 62.76 Favored 'Trans proline' 0 C--N 1.371 1.713 0 C-N-CA 123.166 2.577 . . . . 71.35 112.861 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 m 67.89 15.12 9.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.394 1.478 . . . . 72.15 112.485 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.5 131.72 55.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.696 0.799 . . . . 73.13 109.574 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.89 -27.31 73.31 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.241 0.338 . . . . 71.41 113.638 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pp -126.24 175.12 8.03 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.008 0.923 . . . . 75.02 109.661 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.7 t -66.07 112.81 9.94 Favored Pre-proline 0 CA--C 1.547 0.843 0 N-CA-C 108.508 -0.923 . . . . 43.51 108.508 172.152 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -89.31 38.14 0.41 Allowed 'Trans proline' 0 C--N 1.365 1.402 0 C-N-CA 123.227 2.618 . . . . 64.31 112.627 -171.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -80.12 75.12 6.9 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.162 -0.681 . . . . 75.43 109.162 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -127.05 51.28 0.85 Allowed Glycine 0 C--N 1.343 0.923 0 N-CA-C 110.831 -0.907 . . . . 64.32 110.831 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.8 m -71.54 98.54 1.88 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.825 0.85 . . . . 71.13 110.37 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 145.1 -19.92 1.93 Allowed Glycine 0 C--N 1.339 0.704 0 CA-C-N 115.651 -0.704 . . . . 62.42 111.711 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.06 125.1 0.77 Allowed Glycine 0 C--N 1.351 1.374 0 N-CA-C 112.374 -0.291 . . . . 52.22 112.374 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.34 169.0 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 N-CA-C 107.255 -1.387 . . . . 63.42 107.255 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.99 134.54 41.69 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.307 -0.627 . . . . 74.32 109.307 172.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.86 -177.08 20.29 Favored Glycine 0 N--CA 1.472 1.05 0 CA-C-N 116.207 -0.451 . . . . 53.15 112.918 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 32.9 t -68.26 -22.91 64.73 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.304 1.042 . . . . 35.44 111.698 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -38.24 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.777 0.831 . . . . 53.33 110.568 174.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.17 -48.82 80.18 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.798 0.839 . . . . 64.4 111.162 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.2 mt-10 -63.16 -52.6 61.79 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 124.07 0.856 . . . . 74.52 111.247 -176.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.1 t -65.2 -42.23 93.74 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 123.303 0.377 . . . . 74.54 111.338 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 49.2 t -60.19 -43.35 93.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 109.643 -0.503 . . . . 50.01 109.643 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -60.81 -33.57 73.2 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.669 0.605 . . . . 35.41 112.133 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 21.3 mmt180 -73.68 -54.43 8.12 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.615 0.366 . . . . 73.31 110.499 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -66.02 -32.36 73.78 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.914 -0.584 . . . . 75.02 111.667 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -78.57 -37.88 41.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.866 0.866 . . . . 61.21 110.844 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.89 52.58 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.56 -0.533 . . . . 74.25 109.56 173.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -62.83 -33.63 75.63 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.927 -0.578 . . . . 72.12 111.246 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.09 -61.13 2.69 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 110.062 -0.347 . . . . 72.45 110.062 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 46.2 m -61.19 -35.73 77.97 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.929 0.892 . . . . 72.52 112.4 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -71.09 -47.84 55.9 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.585 0.754 . . . . 75.34 111.474 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.621 HD12 HD21 ' A' ' 34' ' ' LEU . 10.9 mp -70.85 -19.29 62.66 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.648 0.379 . . . . 64.5 111.042 174.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.22 -44.71 17.39 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.68 0.792 . . . . 72.22 111.253 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.9 t -66.72 -35.35 79.9 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.898 -0.779 . . . . 44.11 108.898 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.597 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.2 ttt -62.54 -42.44 99.53 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 123.5 0.5 . . . . 72.51 110.285 172.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -53.52 57.19 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.195 0.998 . . . . 54.11 112.068 -177.167 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 23.7 p -65.29 -40.95 94.52 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 115.372 -0.831 . . . . 53.12 110.986 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -66.48 -44.54 82.4 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.607 -0.724 . . . . 75.42 111.147 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.597 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -72.4 -25.82 61.63 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.692 0.282 . . . . 74.52 110.604 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -67.95 -50.53 55.37 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 123.601 0.761 . . . . 64.44 109.72 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.49 -43.62 96.72 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.207 -0.906 . . . . 63.32 110.954 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.532 ' HB ' HG21 ' A' ' 44' ' ' ILE . 37.3 p -61.12 -62.86 1.54 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 116.022 -0.535 . . . . 65.25 110.0 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 81.1 p -52.87 -32.25 43.86 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.665 0.786 . . . . 64.24 112.225 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.3 t -60.1 -59.7 5.0 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 123.592 0.557 . . . . 63.44 111.234 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 456' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 2.6 p90 -73.51 -20.91 60.54 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 112.312 0.486 . . . . 74.5 112.312 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.594 HD21 HG23 ' A' ' 44' ' ' ILE . 73.9 mt -68.59 -41.25 79.89 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.093 0.557 . . . . 54.21 110.578 175.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.5 t -77.3 -28.0 53.14 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.014 0.196 . . . . 73.13 111.313 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -60.11 -53.22 60.36 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.647 0.737 . . . . 73.51 109.659 168.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.86 -34.56 77.62 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 114.122 -1.399 . . . . 70.21 111.074 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.41 -50.85 57.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.303 0.641 . . . . 74.21 111.062 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 25.6 m -62.7 -33.97 76.2 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 123.736 0.647 . . . . 73.2 110.664 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -70.59 -47.25 61.1 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.26 0.624 . . . . 64.04 111.518 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' MET . . . . . 0.637 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.2 ttm -70.63 -27.73 64.28 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.035 0.934 . . . . 43.12 111.179 -174.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -85.07 -60.81 1.93 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 108.512 -0.921 . . . . 74.24 108.512 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.21 78.53 1.65 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.828 0.451 . . . . 71.34 111.783 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.253 1.27 0 C-N-CA 123.58 0.752 . . . . 74.32 111.401 163.467 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.818 -0.438 . . . . 71.54 109.818 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.5 p -62.89 -49.92 72.93 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.27 1.028 . . . . 72.24 112.402 -171.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -65.43 -38.47 89.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.558 0.743 . . . . 74.11 111.283 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.479 ' O ' HG13 ' A' ' 8' ' ' ILE . 46.3 m -73.68 -37.26 65.28 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.219 -0.9 . . . . 74.3 111.49 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.8 -41.32 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 117.928 0.331 . . . . 60.31 111.007 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.78 -34.62 78.77 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 109.987 -0.375 . . . . 72.15 109.987 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' A' ' 4' ' ' THR . 69.9 t80 -57.2 -55.16 38.31 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.912 0.885 . . . . 72.11 110.955 172.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.509 HG12 HG23 ' A' ' 60' ' ' ILE . 82.0 mt -54.94 -60.33 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 124.236 1.014 . . . . 54.31 111.185 -177.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 38.7 m-80 -60.2 -49.24 78.41 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.774 -1.103 . . . . 74.1 111.846 -174.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 14' ' ' ILE . 84.1 mtm180 -68.0 -35.75 78.85 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 118.451 -0.785 . . . . 74.15 112.353 -173.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -63.13 -40.42 97.55 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.582 0.628 . . . . 75.4 110.898 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.83 -41.96 92.52 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.589 0.556 . . . . 74.24 110.501 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 23.3 mmt180 -61.98 -48.55 79.85 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.703 0.627 . . . . 75.54 110.334 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.4 mt -55.0 -42.19 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 124.468 1.107 . . . . 72.34 110.759 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.15 -42.16 76.32 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.983 0.913 . . . . 71.42 112.131 -178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.52 -39.89 85.08 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.235 0.614 . . . . 64.13 110.373 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.3 mt -66.04 -50.5 63.97 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.866 0.866 . . . . 70.33 109.774 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.515 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 52.7 p -56.41 -44.82 80.7 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 124.579 1.174 . . . . 55.53 111.186 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -62.55 -51.06 68.86 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.98 0.8 . . . . 72.32 111.243 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.1 m -59.31 -51.61 69.21 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.79 0.682 . . . . 73.45 111.595 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.548 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.5 pp -74.69 -19.59 60.2 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.067 0.547 . . . . 73.35 111.876 -177.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -63.52 -47.18 82.72 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.295 -0.631 . . . . 60.4 109.295 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.58 -34.58 78.57 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.07 -0.968 . . . . 74.11 110.534 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.97 -44.43 69.49 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.731 0.812 . . . . 73.21 111.418 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.548 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -61.31 -41.92 97.8 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.681 0.792 . . . . 74.35 110.237 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.87 -33.77 74.33 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.752 -1.113 . . . . 74.5 111.076 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.628 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -79.47 -8.51 59.18 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.714 0.806 . . . . 70.33 111.333 178.452 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.83 9.54 86.19 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 123.181 0.3 . . . . 63.24 112.904 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.628 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 10.9 mm-40 -77.0 80.71 3.53 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.296 -1.002 . . . . 45.32 108.296 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -72.22 -40.3 67.9 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.213 0.605 . . . . 64.53 111.094 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.46 -41.16 98.62 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.649 0.593 . . . . 64.5 110.391 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.59 -33.34 62.62 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.39 -0.823 . . . . 64.34 111.064 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 21' ' ' LEU . 49.9 tp -60.59 -50.59 72.91 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.85 0.86 . . . . 74.34 110.126 174.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.462 HD21 HD12 ' A' ' 443' ' ' LEU . 78.7 mt -72.38 -26.34 61.85 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.429 1.092 . . . . 73.21 111.369 -176.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -61.01 -40.97 95.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.085 0.954 . . . . 51.11 109.986 172.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -88.94 -23.53 22.66 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.657 -0.702 . . . . 74.44 111.69 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -49.48 -57.89 6.19 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.109 1.364 . . . . 73.25 111.487 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.0 m -57.45 -45.18 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 124.708 1.255 . . . . 73.32 110.751 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.5 m -60.64 -45.83 92.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.982 0.913 . . . . 50.51 110.34 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.6 t80 -69.93 -64.43 0.89 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.13 1.372 . . . . 74.31 111.962 -171.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.85 -39.44 81.29 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.123 0.89 . . . . 74.4 111.02 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -65.62 -40.07 92.17 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.593 0.357 . . . . 61.31 111.316 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.2 m -60.63 -39.8 89.61 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.524 0.515 . . . . 74.11 111.394 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.668 HG23 HD21 ' A' ' 457' ' ' LEU . 69.6 mt -63.4 -48.91 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 121.163 0.506 . . . . 73.1 110.406 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.13 -42.3 90.28 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.079 -0.964 . . . . 61.35 111.515 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 t -77.45 -35.58 53.77 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 112.21 0.448 . . . . 73.45 112.21 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.96 -30.03 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 CA-C-N 118.446 0.566 . . . . 74.23 110.545 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.547 ' HE2' HD23 ' A' ' 457' ' ' LEU . 23.0 mmt -85.61 -19.75 30.54 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.165 0.586 . . . . 64.23 112.117 176.169 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -72.98 -28.01 62.14 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.086 -0.709 . . . . 74.25 109.086 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -68.71 -15.47 63.53 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 114.739 -1.119 . . . . 74.23 110.844 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 70.78 9.35 6.81 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.285 1.434 . . . . 74.12 111.143 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.413 HG23 ' CE1' ' A' ' 7' ' ' PHE . 83.3 m 65.07 109.32 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.41 0 C-N-CA 124.601 1.16 . . . . 73.24 110.648 -172.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.532 ' HG2' HD11 ' A' ' 56' ' ' ILE . 19.7 Cg_endo -56.22 132.63 53.07 Favored 'Trans proline' 0 C--N 1.381 2.28 0 C-N-CA 122.877 2.385 . . . . 72.01 112.458 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 41.9 Cg_exo -60.77 -27.32 84.62 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 123.117 2.545 . . . . 71.12 114.202 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -85.71 60.54 4.66 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.462 -0.336 . . . . 24.11 113.439 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.532 HD11 ' HG2' ' A' ' 53' ' ' PRO . 39.8 mm -114.38 113.59 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.825 0.85 . . . . 63.01 108.854 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.3 t -74.27 169.85 16.78 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.971 0.508 . . . . 73.54 110.094 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -66.27 -25.82 67.05 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.141 0.576 . . . . 70.42 111.652 -171.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -75.65 -44.69 41.21 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.365 0.666 . . . . 74.14 110.887 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 8' ' ' ILE . 95.6 mt -67.31 -43.9 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.584 0.754 . . . . 75.11 109.641 176.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -54.64 -40.29 68.85 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.163 1.385 . . . . 54.05 111.237 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.38 -48.12 68.35 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.8 0.84 . . . . 73.44 110.987 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.422 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 59.1 mtm -58.36 -53.59 56.54 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.587 0.554 . . . . 73.51 110.32 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 68' ' ' ILE . 20.4 m -71.3 -25.89 25.96 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 CA-C-N 115.029 -0.987 . . . . 63.34 111.742 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.27 87.05 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.65 0.659 . . . . 61.33 109.778 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.65 -44.36 97.64 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 123.911 0.757 . . . . 72.25 111.737 170.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -67.52 -32.28 72.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.722 0.809 . . . . 72.32 112.257 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.563 ' HA ' HG22 ' A' ' 71' ' ' THR . 86.8 mt -75.43 -37.34 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 108.909 -0.775 . . . . 74.13 108.909 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -64.24 -33.01 74.82 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.375 0.27 . . . . 73.25 110.443 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 78.3 mt-30 -69.08 -51.91 33.87 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.092 0.557 . . . . 62.21 110.768 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 68' ' ' ILE . 14.0 t -64.01 -35.35 80.43 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.441 0.463 . . . . 55.13 110.775 -175.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.72 -44.24 74.28 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.443 0.697 . . . . 41.01 111.421 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.76 -54.77 42.42 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.933 0.77 . . . . 64.1 110.56 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.408 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 50.5 m-20 -68.14 -38.59 82.34 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.239 -0.892 . . . . 70.15 110.847 -173.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.1 tt0 -75.66 -25.15 56.54 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.702 0.801 . . . . 61.52 111.869 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 -69.79 -40.62 75.89 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.348 -0.612 . . . . 54.44 109.348 170.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.42 -33.33 72.82 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.665 -0.698 . . . . 72.14 110.472 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 75' ' ' GLU . 92.3 mt -67.0 -37.58 84.46 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.563 0.745 . . . . 54.1 110.16 172.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -59.25 -54.02 51.6 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 123.704 0.628 . . . . 74.43 109.968 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.31 -47.77 84.89 Favored Glycine 0 C--N 1.348 1.22 0 O-C-N 123.829 0.706 . . . . 62.2 112.784 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.2 -59.9 4.6 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.482 1.113 . . . . 62.35 110.469 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.57 -28.12 67.51 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 123.482 0.713 . . . . 73.52 111.29 -175.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 58.0 tt0 -61.72 -44.89 96.05 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 118.318 0.508 . . . . 72.43 110.523 174.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -58.96 -46.41 88.11 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.884 0.74 . . . . 64.53 110.386 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.4 mmp_? -60.04 -50.0 75.43 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 124.328 1.017 . . . . 54.22 110.895 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.53 -35.04 78.18 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.296 1.039 . . . . 72.25 111.852 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.27 -48.05 81.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.869 0.731 . . . . 63.01 109.559 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.49 -45.57 79.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.83 0.852 . . . . 65.31 111.372 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 93' ' ' ILE . 97.5 mt -60.32 -52.28 65.94 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.914 0.759 . . . . 70.52 109.883 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.0 t -59.2 -39.13 81.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.118 0.967 . . . . 71.1 111.722 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.5 t -63.83 -33.26 75.28 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.648 0.592 . . . . 72.2 110.814 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.9 mt -84.56 -30.88 24.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.939 0.895 . . . . 71.32 111.898 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 89' ' ' LEU . 96.9 mt -66.94 -52.58 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.402 0.681 . . . . 51.34 110.159 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.8 -25.4 58.95 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.843 0.714 . . . . 52.12 113.946 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -70.37 -53.44 16.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.158 0.583 . . . . 61.31 110.516 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.566 HG23 HG22 ' A' ' 433' ' ' VAL . 26.9 m -83.55 -21.86 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.74 0.816 . . . . 75.04 112.495 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.8 tt -96.21 112.24 24.04 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.369 -1.345 . . . . 73.23 107.369 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.635 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 67.5 m-85 -96.58 88.38 4.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.632 0.773 . . . . 75.3 109.261 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.61 2.36 41.85 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 115.846 -0.615 . . . . 70.31 111.93 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.12 -74.54 0.07 OUTLIER Glycine 0 C--N 1.348 1.225 0 CA-C-O 119.63 -0.539 . . . . 74.22 112.097 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.39 152.43 66.07 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.714 2.276 . . . . 74.03 112.017 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.8 m 63.12 26.03 15.16 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.509 1.124 . . . . 74.51 111.596 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.635 ' HB2' ' HB3' ' A' ' 98' ' ' PHE . . . -122.5 117.98 27.21 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 124.292 1.037 . . . . 62.25 110.042 -176.217 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.45 -64.24 2.93 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 110.623 -0.991 . . . . 51.34 110.623 171.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 pp -80.79 153.41 27.75 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.135 -1.061 . . . . 72.42 108.135 163.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.3 t -100.83 103.96 28.28 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 109.267 -0.642 . . . . 64.43 109.267 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -96.04 36.07 0.14 Allowed 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 123.489 2.792 . . . . 74.12 112.26 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -72.4 -15.61 61.84 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.596 0.758 . . . . 62.11 110.917 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.07 107.94 1.12 Allowed Glycine 0 C--N 1.355 1.614 0 N-CA-C 111.559 -0.616 . . . . 53.22 111.559 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.3 m -58.35 99.98 0.05 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.537 1.135 . . . . 75.22 112.019 -172.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 169.97 -89.88 0.09 OUTLIER Glycine 0 C--N 1.344 1.02 0 CA-C-N 115.774 -0.648 . . . . 41.31 111.709 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -141.73 144.14 13.94 Favored Glycine 0 C--N 1.349 1.272 0 C-N-CA 122.837 0.256 . . . . 34.12 112.879 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.453 HG21 HD12 ' A' ' 429' ' ' ILE . 3.8 mp -97.17 169.52 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 C-N-CA 124.808 1.243 . . . . 74.1 108.186 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.56 137.16 32.57 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.612 0.765 . . . . 73.31 110.321 170.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.04 -172.15 25.29 Favored Glycine 0 N--CA 1.483 1.803 0 N-CA-C 113.907 0.323 . . . . 65.01 113.907 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 32.4 t -70.71 -22.28 62.46 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.883 0.873 . . . . 64.03 111.626 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.453 HD12 HG21 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -58.3 -36.61 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.373 1.069 . . . . 63.12 109.939 174.84 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.02 -44.89 83.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.147 0.579 . . . . 70.21 111.196 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.6 mt-10 -63.91 -56.34 15.99 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.096 0.873 . . . . 73.0 110.409 -176.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.9 t -60.82 -40.42 92.67 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 123.698 0.623 . . . . 65.14 111.604 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.566 HG22 HG23 ' A' ' 96' ' ' VAL . 55.7 t -60.39 -49.78 82.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 N-CA-C 109.029 -0.73 . . . . 53.44 109.029 174.152 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.91 -29.07 69.99 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.893 0.877 . . . . 61.23 112.346 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.1 mmt180 -68.39 -57.08 6.43 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 109.486 -0.561 . . . . 73.04 109.486 178.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -70.1 -25.57 63.57 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.602 -0.726 . . . . 74.55 111.627 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -72.12 -45.78 59.22 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.057 0.943 . . . . 72.11 109.714 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.55 -52.92 59.01 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 123.802 0.689 . . . . 51.24 109.7 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -55.47 -41.33 72.81 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.061 0.851 . . . . 64.11 111.459 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.44 -63.89 1.05 Allowed 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 118.899 -0.572 . . . . 74.14 109.935 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 44.1 m -55.35 -34.71 64.51 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.387 1.075 . . . . 64.5 112.374 -173.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 -70.58 -50.78 33.73 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.79 0.836 . . . . 74.24 111.432 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.462 HD12 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -74.0 -18.47 60.85 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 122.636 0.374 . . . . 73.25 111.009 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.23 -44.24 18.06 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.593 1.157 . . . . 75.24 110.527 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.7 t -67.65 -32.95 73.99 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 109.341 -0.614 . . . . 72.4 109.341 172.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.493 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.7 ttt -62.5 -44.08 97.24 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 109.756 -0.461 . . . . 44.33 109.756 171.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 36.7 tpp -60.47 -50.28 74.2 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.397 1.079 . . . . 74.1 112.037 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 8.6 p -66.58 -40.68 89.07 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.479 -0.782 . . . . 71.34 111.304 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.57 -36.22 70.85 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 119.068 -0.491 . . . . 72.35 111.425 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.493 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -73.75 -23.93 59.81 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.798 0.332 . . . . 45.11 110.16 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.4 -53.14 25.75 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.335 0.654 . . . . 62.43 109.541 172.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -56.17 -47.02 79.08 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 124.518 1.127 . . . . 61.11 111.253 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.48 ' HB ' HG21 ' A' ' 44' ' ' ILE . 34.0 p -62.13 -61.26 2.59 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.016 -0.993 . . . . 72.3 109.962 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.1 p -53.19 -29.53 32.44 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.463 0.705 . . . . 71.03 112.843 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 71.2 m -59.83 -62.44 1.87 Allowed 'General case' 0 C--O 1.247 0.962 0 C-N-CA 122.919 0.488 . . . . 74.02 110.554 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 456' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 3.7 p90 -73.86 -21.2 60.19 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.551 0.575 . . . . 65.35 112.551 -178.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.668 HD21 HG23 ' A' ' 44' ' ' ILE . 66.6 mt -69.47 -42.41 74.89 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.568 0.747 . . . . 73.23 110.621 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 3.7 t -75.8 -33.18 60.12 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 123.542 0.526 . . . . 64.4 110.692 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -62.76 -42.96 99.92 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.443 0.464 . . . . 72.51 110.306 171.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -62.79 -40.37 97.13 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.145 -0.934 . . . . 71.4 110.393 175.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -64.48 -40.34 95.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.147 0.579 . . . . 71.14 110.37 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 57.7 m -63.81 -45.21 90.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.417 0.687 . . . . 72.32 110.603 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.66 -50.74 23.05 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.052 0.453 . . . . 74.42 111.814 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 464' ' ' MET . . . . . 0.469 ' SD ' HG23 ' A' ' 64' ' ' VAL . 59.0 ttm -63.47 -33.02 74.64 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.834 0.854 . . . . 72.43 111.513 -174.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -89.18 -56.45 3.27 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 122.637 0.375 . . . . 61.33 110.046 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 78.53 1.78 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 112.316 0.487 . . . . 65.45 112.316 174.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 CA--C 1.56 1.339 0 O-C-N 121.578 -0.702 . . . . 64.05 110.708 167.266 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.012 0.434 . . . . 74.53 109.936 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.5 p -66.16 -42.09 89.45 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.76 0.824 . . . . 61.54 112.199 -171.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -68.54 -35.79 77.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.218 0.607 . . . . 61.54 110.994 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 8' ' ' ILE . 76.1 m -73.38 -41.93 62.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.844 -0.616 . . . . 64.41 111.331 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.39 -38.07 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 117.827 0.285 . . . . 74.54 110.988 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.54 -37.86 83.34 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 109.57 -0.53 . . . . 72.53 109.57 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.468 ' HE1' HG23 ' A' ' 52' ' ' THR . 60.9 t80 -53.55 -55.49 25.11 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.112 0.965 . . . . 73.13 110.547 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.472 HG12 HG23 ' A' ' 60' ' ' ILE . 92.4 mt -55.72 -57.98 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.136 0.974 . . . . 65.25 111.463 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 88.6 m-20 -57.08 -46.6 82.39 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.606 1.191 . . . . 74.42 111.737 -172.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' O ' HG13 ' A' ' 14' ' ' ILE . 62.3 mtm180 -74.76 -32.04 61.96 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 118.41 -0.805 . . . . 71.45 111.663 -174.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -64.68 -37.79 88.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 118.542 0.61 . . . . 74.24 110.64 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -60.44 -44.48 95.78 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 123.69 0.618 . . . . 54.13 109.779 173.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 44.3 mmt-85 -58.89 -49.85 76.23 Favored 'General case' 0 C--N 1.359 1.02 0 O-C-N 123.578 0.549 . . . . 63.1 109.883 175.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.9 mt -55.58 -44.69 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.137 0.975 . . . . 65.14 111.164 -175.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.59 -47.35 32.88 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 123.619 0.768 . . . . 64.45 112.62 -175.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.5 mt -71.99 -38.82 69.62 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.308 -0.405 . . . . 74.33 110.439 -176.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.7 mt -69.78 -40.4 76.06 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 118.404 -0.808 . . . . 63.42 110.663 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 70.3 p -59.6 -43.78 93.61 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.521 0.513 . . . . 74.54 110.545 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.03 -43.26 99.18 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 123.89 0.744 . . . . 42.52 110.704 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -63.16 -52.59 61.79 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.377 0.671 . . . . 64.03 112.02 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.595 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.0 pp -71.4 -22.34 61.88 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.847 0.459 . . . . 74.3 111.433 -177.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.86 -44.9 88.21 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 122.762 0.425 . . . . 72.33 110.16 172.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -57.64 -45.65 85.19 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.021 0.826 . . . . 74.22 110.092 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 32' ' ' LEU . 55.5 mt -64.82 -32.49 74.21 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.847 0.859 . . . . 75.22 111.7 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -72.5 -46.43 54.72 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.658 0.783 . . . . 61.22 110.813 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -76.44 -17.6 59.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.053 0.541 . . . . 74.43 111.855 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -85.81 -26.54 25.67 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.807 0.443 . . . . 65.33 110.065 169.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.52 1.66 50.18 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-O 118.927 -0.93 . . . . 75.05 114.684 174.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -68.54 88.43 0.34 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.477 1.138 . . . . 74.32 109.985 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -68.5 -36.87 79.5 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 123.054 0.541 . . . . 75.44 110.173 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.56 -46.85 80.49 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.463 0.705 . . . . 74.02 111.062 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.559 ' HB3' HD13 ' A' ' 24' ' ' LEU . 85.5 mt -75.62 -35.59 60.45 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.736 -0.665 . . . . 62.34 111.167 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.595 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.4 tp -57.56 -46.18 84.27 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.786 0.835 . . . . 74.54 110.432 173.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.43 HD21 HD12 ' A' ' 443' ' ' LEU . 78.9 mt -77.38 -25.17 50.67 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.217 1.007 . . . . 71.15 111.36 -177.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -65.0 -39.58 93.67 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.256 0.55 . . . . 73.32 109.579 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -87.58 -19.0 28.42 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.415 -0.811 . . . . 73.23 111.63 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.3 -59.92 3.27 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.044 0.937 . . . . 64.45 111.339 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.8 m -59.19 -42.7 87.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 CA-C-N 114.777 -1.102 . . . . 53.33 111.243 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 m -61.09 -47.05 88.09 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.84 0.856 . . . . 71.11 110.479 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 26.5 t80 -69.62 -61.32 1.83 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.52 1.528 . . . . 74.11 111.869 -172.185 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.24 -40.53 86.23 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.028 0.83 . . . . 75.45 110.951 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.91 -40.92 99.07 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.428 0.455 . . . . 72.44 111.587 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 m -60.64 -41.09 94.24 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.411 0.444 . . . . 53.32 111.226 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.485 HG23 HD21 ' A' ' 457' ' ' LEU . 58.5 mt -63.89 -44.46 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-O 121.44 0.638 . . . . 75.41 110.08 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -57.51 -47.55 81.65 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.795 -1.093 . . . . 75.03 111.323 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -77.36 -30.35 53.79 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.478 0.547 . . . . 72.55 112.478 -171.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.28 -31.68 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 CA-C-N 118.682 0.674 . . . . 62.33 110.241 172.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.413 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 25.4 mmt -82.78 -24.94 33.21 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 112.622 0.601 . . . . 74.21 112.622 176.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.17 -29.33 63.91 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.912 0.485 . . . . 61.15 110.047 171.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -88.47 18.51 4.47 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.905 0.882 . . . . 71.24 110.419 168.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 48.89 14.89 0.08 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 127.152 2.181 . . . . 65.34 115.792 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.468 HG23 ' HE1' ' A' ' 7' ' ' PHE . 98.7 m 56.86 94.04 0.05 OUTLIER Pre-proline 0 CA--C 1.561 1.385 0 C-N-CA 123.789 0.835 . . . . 74.41 109.971 -168.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.461 ' O ' HG12 ' A' ' 56' ' ' ILE . 16.9 Cg_endo -55.67 136.83 76.11 Favored 'Trans proline' 0 C--N 1.385 2.464 0 C-N-CA 122.8 2.334 . . . . 71.04 111.822 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 11.9 Cg_exo -73.56 -9.6 22.93 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.672 2.248 . . . . 63.44 113.393 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.92 58.54 5.03 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 112.09 -0.404 . . . . 62.54 112.09 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 53' ' ' PRO . 45.1 mm -123.43 115.43 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.694 1.198 . . . . 72.22 108.675 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -74.95 174.29 9.49 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.027 0.531 . . . . 75.35 110.293 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -28.63 67.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.679 0.392 . . . . 75.4 111.211 -175.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -70.32 -47.75 59.67 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.543 0.737 . . . . 71.42 110.531 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.538 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 93.6 mt -67.41 -39.0 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.098 -0.955 . . . . 71.51 109.842 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.07 -40.74 90.56 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.973 0.909 . . . . 75.31 111.091 175.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.27 -50.25 73.79 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.612 0.57 . . . . 74.44 110.187 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.538 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 49.6 mtm -55.08 -54.37 44.01 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 124.258 0.974 . . . . 75.15 110.46 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.5 m -75.32 -28.09 20.01 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 CA-C-O 118.624 -0.703 . . . . 72.22 112.551 -171.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.34 82.32 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.3 -0.629 . . . . 70.13 109.3 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.99 -36.92 92.68 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.541 -0.754 . . . . 65.12 112.108 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.462 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 21.5 m-85 -68.67 -36.53 78.65 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.169 0.588 . . . . 55.3 111.399 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 64' ' ' VAL . 52.3 mt -71.99 -38.87 65.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 108.898 -0.778 . . . . 73.33 108.898 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -55.7 -48.6 74.84 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.335 0.654 . . . . 74.23 110.622 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -61.36 -50.83 71.32 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 115.33 -0.85 . . . . 54.51 111.021 179.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.496 HG22 ' HA ' ' A' ' 68' ' ' ILE . 7.5 t -63.53 -40.17 96.34 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 123.584 0.553 . . . . 71.13 110.823 -174.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.38 -42.06 98.83 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.429 0.692 . . . . 70.11 111.109 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.67 -56.92 14.56 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.785 0.678 . . . . 73.12 110.421 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 55.6 m-20 -66.01 -38.56 88.78 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.508 -0.769 . . . . 63.11 111.792 -173.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 78' ' ' LEU . 37.0 tt0 -77.27 -27.7 53.23 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.112 0.965 . . . . 73.51 111.463 -176.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -66.22 -41.06 90.65 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.123 0.569 . . . . 65.44 109.814 169.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.3 -32.53 72.73 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.445 -0.798 . . . . 73.21 110.941 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.0 mt -64.63 -45.86 85.04 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.946 0.498 . . . . 55.12 110.004 172.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -53.34 -52.49 59.04 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 123.974 0.796 . . . . 71.24 110.451 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -66.51 -49.31 57.06 Favored Glycine 0 C--N 1.351 1.416 0 O-C-N 123.941 0.776 . . . . 55.42 113.496 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.99 -55.97 27.47 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.464 1.105 . . . . 62.12 110.369 -176.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.438 HD22 HD23 ' A' ' 443' ' ' LEU . 62.6 mt -68.02 -27.03 66.2 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.236 -0.893 . . . . 62.13 110.581 -177.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -61.08 -44.13 97.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.65 0.38 . . . . 73.14 110.244 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 22.1 mt-30 -58.79 -51.48 69.82 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.212 0.945 . . . . 55.12 109.557 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -59.98 -44.65 94.35 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.948 -1.024 . . . . 71.43 111.899 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 443' ' ' LEU . 73.7 mt -73.04 -31.3 64.34 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.517 0.727 . . . . 62.03 111.646 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.06 -40.93 95.45 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.685 0.615 . . . . 75.12 109.377 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 34.5 mt-10 -69.51 -47.05 65.05 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.159 0.912 . . . . 75.23 110.89 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 93' ' ' ILE . 89.8 mt -59.23 -49.54 77.44 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.186 0.594 . . . . 74.25 110.004 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.7 t -60.52 -38.14 83.44 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.66 0.784 . . . . 55.33 111.303 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.8 t -63.24 -33.11 74.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.018 0.527 . . . . 62.34 110.864 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 85.9 mt -73.47 -49.14 28.32 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.15 0.58 . . . . 65.54 109.628 175.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 89' ' ' LEU . 89.2 mt -58.71 -41.53 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 124.476 1.11 . . . . 74.33 111.79 -174.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.29 -23.55 71.7 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 121.906 -0.188 . . . . 52.41 113.427 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -100.03 -29.84 12.31 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.272 0.629 . . . . 73.34 112.002 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.504 HG23 HG22 ' A' ' 433' ' ' VAL . 23.4 m -97.08 -32.41 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 122.846 0.458 . . . . 74.53 111.21 -175.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 tt -95.51 111.62 23.49 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 106.312 -1.736 . . . . 71.23 106.312 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -85.12 96.04 9.32 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 106.843 -1.54 . . . . 71.23 106.843 171.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -9.9 59.66 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.243 0.617 . . . . 74.3 112.456 -172.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.45 -75.94 0.03 OUTLIER Glycine 0 C--N 1.342 0.893 0 CA-C-O 119.478 -0.623 . . . . 45.31 111.862 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -80.28 -174.66 2.34 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.858 2.372 . . . . 61.42 112.754 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.4 m 67.17 34.57 4.92 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.469 1.107 . . . . 71.34 111.655 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -157.59 144.1 17.88 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.803 0.841 . . . . 73.11 110.26 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -91.07 22.93 26.64 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 116.155 -0.475 . . . . 73.43 112.546 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 pp -148.85 -176.82 5.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.987 1.315 . . . . 75.33 108.917 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.6 t -83.75 100.77 1.07 Allowed Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 108.77 -0.826 . . . . 72.32 108.77 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -92.97 0.92 3.65 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 122.857 2.371 . . . . 73.23 113.132 -172.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -79.21 81.74 5.44 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.343 1.057 . . . . 72.14 109.236 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -93.84 49.59 2.26 Favored Glycine 0 C--N 1.343 0.933 0 CA-C-N 115.412 -0.813 . . . . 44.44 112.023 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.9 m -69.41 92.93 0.62 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.506 0.722 . . . . 61.54 110.58 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 146.45 -38.7 1.14 Allowed Glycine 0 C--N 1.341 0.806 0 CA-C-N 115.648 -0.706 . . . . 70.52 111.62 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.07 115.11 0.42 Allowed Glycine 0 C--N 1.346 1.084 0 N-CA-C 112.146 -0.382 . . . . 41.01 112.146 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.428 HG21 HD12 ' A' ' 429' ' ' ILE . 2.9 mp -98.03 169.15 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.327 0 N-CA-C 107.666 -1.235 . . . . 60.51 107.666 172.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.28 151.53 25.34 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 121.598 -0.689 . . . . 55.02 109.435 170.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.05 -178.38 35.93 Favored Glycine 0 N--CA 1.471 1.027 0 CA-C-N 116.691 -0.231 . . . . 70.34 112.565 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 29.6 t -71.42 -21.86 61.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.315 0.646 . . . . 73.23 111.499 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.428 HD12 HG21 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -54.69 -45.32 72.83 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 123.827 0.851 . . . . 71.04 110.222 174.27 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.63 -46.49 70.51 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 123.421 0.689 . . . . 64.42 110.967 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -70.59 -50.07 41.15 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.736 -1.12 . . . . 65.54 111.34 -172.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.3 t -68.58 -40.44 80.52 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 123.487 0.492 . . . . 61.31 111.455 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.504 HG22 HG23 ' A' ' 96' ' ' VAL . 55.5 t -66.7 -38.24 81.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.551 0 C-N-CA 123.314 0.646 . . . . 71.32 109.716 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -67.73 -29.08 68.23 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.091 0.556 . . . . 64.41 111.228 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -72.0 -45.06 62.32 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.671 0.388 . . . . 71.14 110.368 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -64.73 -39.63 93.97 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.469 0.48 . . . . 75.31 110.649 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.87 -39.99 83.63 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.944 1.297 . . . . 50.51 110.511 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -66.36 -57.18 8.01 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.966 0.507 . . . . 42.35 110.645 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -61.24 -34.54 75.3 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.936 0.773 . . . . 75.21 110.673 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -62.17 -64.99 0.76 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 109.233 -0.654 . . . . 61.33 109.233 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 34.3 m -58.76 -34.32 71.28 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.31 1.044 . . . . 61.24 112.401 -171.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.05 -58.05 7.07 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.537 0.735 . . . . 72.53 111.334 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.543 ' HB2' HD21 ' A' ' 86' ' ' LEU . 7.9 mp -70.57 -18.73 62.91 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.12 0.568 . . . . 72.01 110.825 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.37 -53.35 8.28 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.145 1.378 . . . . 74.13 110.835 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.0 t -67.06 -30.82 70.98 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 123.511 0.507 . . . . 73.32 109.69 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.662 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.4 ttt -59.96 -47.98 83.57 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 123.865 0.728 . . . . 63.5 109.396 173.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.6 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 47.3 ttm -64.06 -46.97 81.98 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.285 0.991 . . . . 75.0 112.152 -175.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 7.8 p -63.71 -37.12 86.16 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 123.557 0.536 . . . . 54.13 111.201 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -71.82 -40.95 68.75 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 119.241 -0.409 . . . . 72.42 111.231 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.662 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -77.46 -21.28 53.15 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 117.941 0.337 . . . . 74.14 111.135 -175.348 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -82.35 -38.25 24.5 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.095 -0.706 . . . . 74.21 109.095 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -57.61 -50.06 74.39 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.891 0.876 . . . . 63.53 109.787 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.409 ' HB ' HG21 ' A' ' 44' ' ' ILE . 41.6 p -63.54 -61.61 2.21 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 115.063 -0.971 . . . . 75.32 109.763 -178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 77.6 p -51.27 -32.02 23.21 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.497 0.719 . . . . 62.43 112.824 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -63.14 -62.24 1.84 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 122.898 0.479 . . . . 72.13 110.574 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 456' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 1.7 p90 -70.9 -20.74 62.47 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.067 0.395 . . . . 65.25 112.067 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.485 HD21 HG23 ' A' ' 44' ' ' ILE . 65.2 mt -71.92 -43.46 65.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.776 0.83 . . . . 71.33 110.549 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.5 t -72.08 -33.34 67.82 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.303 0.377 . . . . 62.33 110.673 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -62.4 -50.2 72.47 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.048 0.452 . . . . 74.43 110.113 171.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.47 -36.33 83.82 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.189 -0.914 . . . . 75.05 110.076 -177.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' PHE . . . . . 0.516 ' HB2' HG21 ' A' ' 68' ' ' ILE . 40.9 t80 -65.0 -45.21 86.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.674 0.79 . . . . 74.32 110.482 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 52.0 m -59.94 -38.37 82.22 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.121 0.888 . . . . 54.4 110.136 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.17 -51.19 18.77 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.864 0.466 . . . . 55.21 111.724 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.1 ttm -60.33 -34.73 74.24 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.915 0.886 . . . . 71.44 110.783 -174.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -86.6 -67.71 0.79 Allowed 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.158 -0.928 . . . . 74.15 109.06 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 78.0 1.69 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 118.069 0.395 . . . . 74.31 112.026 175.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 C--O 1.255 1.348 0 CA-C-O 118.965 -0.54 . . . . 51.31 111.233 171.813 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 121.264 0.555 . . . . 71.01 109.922 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 p -56.89 -52.01 66.85 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.589 0.756 . . . . 50.44 112.105 -174.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -64.7 -41.14 96.23 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.84 0.856 . . . . 74.51 111.809 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.494 ' O ' HG13 ' A' ' 8' ' ' ILE . 33.4 m -74.54 -36.63 63.13 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.538 -0.755 . . . . 70.41 111.385 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.4 p -76.95 -39.22 29.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 119.501 -0.285 . . . . 71.15 110.516 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.99 -36.04 82.68 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.425 -0.583 . . . . 60.21 109.425 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 63.0 t80 -55.63 -57.71 10.82 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.501 1.12 . . . . 75.13 111.448 172.59 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 4' ' ' THR . 66.1 mt -57.28 -58.19 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 123.952 0.901 . . . . 73.34 110.746 -177.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.494 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 82.3 m-20 -52.93 -53.45 49.34 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 125.144 1.527 . . . . 72.2 111.592 -174.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.498 HH21 ' HD3' ' A' ' 50' ' ' LYS . 87.3 mtm180 -73.07 -36.21 66.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 118.415 -0.802 . . . . 72.44 112.846 -171.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -62.42 -40.88 97.99 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.769 0.713 . . . . 74.2 110.37 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -59.08 -43.82 91.83 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.235 1.014 . . . . 70.41 110.047 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 78.9 mmt-85 -62.48 -44.55 96.11 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.868 0.73 . . . . 72.43 111.009 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 10' ' ' ARG . 75.7 mt -60.87 -41.78 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 124.052 0.845 . . . . 73.33 111.24 -177.113 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.75 89.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.051 0.54 . . . . 70.24 111.523 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.32 -43.65 94.02 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.404 -0.816 . . . . 75.44 110.922 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 86.1 mt -67.31 -49.16 65.26 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.7 0.8 . . . . 63.21 110.463 -176.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 57.8 p -58.38 -46.27 86.65 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 124.243 0.964 . . . . 73.33 111.289 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -61.27 -44.2 97.63 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 124.193 0.933 . . . . 75.02 111.01 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.5 m -61.2 -54.23 46.85 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 123.887 0.742 . . . . 72.33 111.266 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -72.86 -19.02 61.38 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.098 0.559 . . . . 73.3 111.977 -175.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 74' ' ' ASN . 61.4 tp -68.94 -44.97 71.94 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.545 -0.539 . . . . 74.14 109.545 171.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.1 -38.81 77.16 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.109 0.881 . . . . 42.25 110.142 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 21' ' ' LEU . 59.1 mt -68.1 -43.88 77.48 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.403 -0.817 . . . . 70.34 111.112 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.08 88.95 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.568 0.747 . . . . 64.41 111.41 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -75.6 -29.61 59.3 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 123.349 0.405 . . . . 75.31 110.504 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.605 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -71.81 -22.73 61.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.54 0.736 . . . . 71.3 111.666 173.852 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 10.53 65.39 Favored Glycine 0 C--N 1.343 0.969 0 O-C-N 123.246 0.341 . . . . 60.11 112.85 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.605 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 17.6 mm-40 -75.48 82.07 2.53 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.724 0.81 . . . . 60.42 109.229 175.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.52 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 7.5 m95 -70.51 -44.26 67.94 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 122.778 0.431 . . . . 70.45 110.462 -177.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.44 -48.83 68.45 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.947 0.899 . . . . 70.24 111.417 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.76 -38.11 83.01 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.186 -0.915 . . . . 44.12 110.643 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.544 HD12 ' HB2' ' A' ' 21' ' ' LEU . 54.8 tp -61.24 -37.78 84.3 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.387 1.075 . . . . 71.45 111.078 175.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 83.2 mt -72.59 -33.71 66.91 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.218 1.007 . . . . 61.34 111.334 -178.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.67 -40.39 94.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.495 0.664 . . . . 71.3 109.88 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -82.48 -19.43 38.84 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.522 -1.217 . . . . 72.32 111.729 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.58 -62.12 1.86 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.193 0.997 . . . . 75.43 111.353 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.5 -41.27 89.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 115.018 -0.992 . . . . 75.14 112.039 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.4 p -70.08 -52.42 24.05 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.536 0.734 . . . . 71.43 110.684 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 36.3 t80 -60.27 -50.88 71.87 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.466 1.106 . . . . 71.12 111.969 -176.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.498 HD13 ' HD3' ' A' ' 449' ' ' LYS . 96.0 mt -61.92 -42.55 99.22 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.694 0.622 . . . . 74.51 110.459 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.97 -36.63 77.54 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.195 0.598 . . . . 73.1 111.394 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.4 m -62.78 -37.54 87.08 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.313 0.645 . . . . 61.15 110.394 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.5 ' HA ' HG22 ' A' ' 47' ' ' VAL . 46.1 mt -72.12 -38.24 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 CA-C-N 115.651 -0.704 . . . . 73.05 110.866 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.93 -43.67 86.42 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.675 0.39 . . . . 75.35 111.256 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.409 HG23 ' HD2' ' A' ' 10' ' ' ARG . 13.9 t -78.33 -25.73 46.56 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 123.186 0.304 . . . . 74.35 111.554 -174.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 44' ' ' ILE . 32.6 m -78.38 -18.58 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.698 -0.626 . . . . 72.12 111.385 170.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.1 mmt -86.1 -21.31 27.72 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.776 0.43 . . . . 74.13 111.104 171.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -73.27 -31.63 64.19 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 122.883 0.473 . . . . 55.23 110.231 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HD3' HH21 ' A' ' 10' ' ' ARG . 16.2 pttp -85.65 -19.55 30.77 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.705 0.402 . . . . 70.21 110.745 172.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 60.81 -89.46 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.868 1.267 . . . . 65.13 109.286 -167.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 m -174.57 106.54 0.28 Allowed Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.087 1.755 . . . . 62.43 106.963 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' O ' HG12 ' A' ' 56' ' ' ILE . 51.2 Cg_exo -58.76 139.92 92.81 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.71 2.273 . . . . 74.3 112.73 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.09 -28.25 87.29 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.97 2.447 . . . . 73.01 113.924 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.45 66.76 3.62 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 122.987 0.18 . . . . 53.51 113.531 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 53' ' ' PRO . 48.6 mm -126.01 120.5 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.49 1.116 . . . . 73.04 108.023 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -77.29 174.47 10.74 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.644 0.378 . . . . 73.44 111.133 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HD2' ' H ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -66.13 -34.27 77.66 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.343 1.057 . . . . 65.3 112.323 -174.242 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.49 ' H ' ' HD2' ' A' ' 58' ' ' ARG . 49.9 m -72.09 -44.8 62.67 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.864 0.466 . . . . 72.11 110.758 -178.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.485 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 94.8 mt -67.91 -40.0 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.044 0.938 . . . . 75.24 110.259 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -61.5 -38.22 86.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.233 1.013 . . . . 70.33 110.48 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.08 -51.27 64.86 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.268 0.627 . . . . 74.4 111.184 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 44.6 mtm -55.87 -53.06 61.36 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 123.823 0.702 . . . . 75.5 110.513 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 68' ' ' ILE . 31.9 m -71.27 -31.27 43.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 CA-C-N 115.311 -0.859 . . . . 72.45 112.086 -173.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.04 85.79 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.164 0.438 . . . . 55.45 109.916 173.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.7 -42.43 98.66 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.767 -0.651 . . . . 63.44 111.752 172.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 22.4 m-85 -65.36 -39.6 92.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.556 0.742 . . . . 73.43 111.848 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 64' ' ' VAL . 72.9 mt -72.03 -39.9 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.333 -0.618 . . . . 62.53 109.333 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.8 -40.49 95.41 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.327 0.251 . . . . 70.31 110.434 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -59.47 -53.17 61.25 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.028 0.83 . . . . 72.11 110.081 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 t -67.26 -30.09 69.89 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 124.274 0.984 . . . . 71.13 111.386 -172.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.73 -46.24 72.74 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.455 0.702 . . . . 75.14 110.722 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.2 -46.94 78.7 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.195 0.934 . . . . 75.11 110.496 -177.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.429 ' HA ' HD22 ' A' ' 22' ' ' LEU . 76.3 m-20 -62.88 -46.45 87.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.526 0.73 . . . . 74.25 110.52 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.572 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.1 tt0 -72.83 -22.61 60.77 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.25 1.02 . . . . 71.43 111.939 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.8 tt0 -68.14 -45.35 73.81 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.454 0.702 . . . . 53.14 109.612 170.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.33 -27.39 65.32 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.731 -0.668 . . . . 71.41 110.946 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 75' ' ' GLU . 91.0 mt -66.71 -47.35 72.62 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.146 0.579 . . . . 71.12 109.736 170.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -53.63 -49.28 68.22 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.133 0.896 . . . . 75.3 110.537 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -65.65 -59.35 7.77 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.307 0.379 . . . . 75.15 113.071 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.85 -50.08 75.17 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.18 0.992 . . . . 63.25 111.239 -172.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 68.9 mt -72.05 -27.9 63.0 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 118.656 -0.688 . . . . 55.01 111.377 -177.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.71 -37.02 86.16 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 118.489 0.586 . . . . 75.53 110.463 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 22.5 mt-30 -61.68 -49.34 76.91 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.076 0.86 . . . . 72.34 109.212 174.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -54.43 -46.11 73.17 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.443 1.089 . . . . 72.41 111.53 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 83.7 mt -65.66 -39.2 91.1 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.948 0.78 . . . . 74.54 111.398 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.25 -42.07 96.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.357 0.663 . . . . 63.1 110.33 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.2 mt-10 -65.83 -55.05 19.12 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.044 -0.98 . . . . 54.14 110.588 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.71 -33.31 75.66 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.763 0.825 . . . . 65.12 111.739 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 t -64.83 -42.42 94.97 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.285 0.634 . . . . 63.32 110.067 176.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 28.0 t -63.57 -43.04 98.15 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.659 -0.701 . . . . 63.31 110.205 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 98.1 mt -64.17 -43.11 96.14 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.612 0.765 . . . . 73.42 111.649 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.74 -42.68 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.581 0.752 . . . . 52.42 109.402 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.35 -27.41 71.61 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.487 -0.778 . . . . 63.31 113.954 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.4 mm100 -86.33 -45.56 11.11 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.404 0.682 . . . . 73.1 111.687 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.68 -33.83 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 111.876 0.324 . . . . 64.5 111.876 -173.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tt -92.5 110.57 21.99 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.168 -1.049 . . . . 74.33 108.168 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.402 ' O ' ' HG3' ' A' ' 107' ' ' PRO . 74.5 m-85 -89.22 94.27 9.86 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 106.931 -1.507 . . . . 72.2 106.931 169.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.43 7.33 5.52 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 113.059 0.763 . . . . 70.31 113.059 -173.667 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.45 -78.24 0.1 Allowed Glycine 0 C--N 1.343 0.942 0 N-CA-C 111.153 -0.779 . . . . 34.14 111.153 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.61 157.63 61.04 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.704 2.27 . . . . 73.1 112.131 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.6 m 65.17 27.88 12.23 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.696 1.198 . . . . 72.35 111.534 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -137.09 133.67 35.62 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.201 1.001 . . . . 63.51 108.873 174.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.32 -16.01 68.64 Favored Glycine 0 C--N 1.348 1.208 0 O-C-N 123.432 0.457 . . . . 73.13 113.722 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 pp -132.35 166.05 22.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.205 1.002 . . . . 73.44 110.366 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.5 t -89.59 112.39 51.47 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.451 0.701 . . . . 70.11 109.329 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 98' ' ' PHE . 45.9 Cg_endo -85.91 44.91 1.39 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 123.483 2.789 . . . . 72.22 112.141 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -75.05 88.03 2.39 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.948 0.899 . . . . 74.52 109.737 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.15 113.07 0.56 Allowed Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.422 -0.808 . . . . 63.14 112.021 -176.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 46.4 m -74.54 -16.66 60.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.601 0.761 . . . . 74.15 111.403 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -74.61 -22.6 76.99 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 115.954 -0.566 . . . . 73.5 112.388 172.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.54 -162.17 18.8 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 123.569 0.604 . . . . 74.42 112.257 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.4 mp -96.02 164.59 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 124.64 1.176 . . . . 74.12 108.847 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.86 145.49 30.35 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.051 0.54 . . . . 71.42 110.051 171.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.38 -171.39 41.91 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-N 116.649 -0.25 . . . . 63.51 113.225 176.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 21.7 t -79.88 -13.48 59.35 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.834 0.854 . . . . 74.31 111.904 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -27.76 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 123.158 0.583 . . . . 61.31 110.127 172.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.76 -42.89 94.27 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 123.163 0.585 . . . . 71.02 111.135 172.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.7 mt-10 -67.99 -35.58 78.58 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.761 0.663 . . . . 71.42 110.735 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.9 m -57.08 -52.9 63.44 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.949 0.899 . . . . 73.05 110.638 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.78 -37.11 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 114.318 -1.31 . . . . 63.52 110.807 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.03 89.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.012 0.525 . . . . 73.14 111.092 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 28.0 mmt180 -66.12 -55.45 16.39 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.61 0.569 . . . . 71.51 110.066 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -66.49 -41.95 88.14 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.225 -0.898 . . . . 75.21 112.043 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -76.33 -28.62 56.96 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.774 0.671 . . . . 62.53 110.848 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.84 -59.7 4.96 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.398 -0.593 . . . . 64.34 109.398 171.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -62.47 -35.72 80.22 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.617 -0.719 . . . . 64.42 110.921 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -68.12 -64.64 0.82 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 123.095 0.558 . . . . 70.44 110.271 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.6 m -58.37 -33.37 69.51 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.408 1.083 . . . . 73.34 112.245 -171.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.409 ' HB3' HD22 ' A' ' 34' ' ' LEU . 93.0 mt-30 -73.81 -53.39 10.37 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.327 0.651 . . . . 74.14 110.923 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.21 -20.1 66.28 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 117.577 0.171 . . . . 72.52 111.278 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -80.26 -46.06 16.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.875 1.27 . . . . 75.54 111.066 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.0 t -67.11 -36.67 82.43 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 109.574 -0.528 . . . . 63.34 109.574 174.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.621 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.3 ttt -60.12 -43.08 95.93 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.932 0.77 . . . . 73.33 109.663 174.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.564 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 4.2 ttm -67.95 -51.1 51.49 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.026 0.829 . . . . 63.35 112.908 -176.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 57.2 p -58.35 -40.73 82.96 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.76 0.663 . . . . 44.4 110.35 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.498 ' HD3' HD13 ' A' ' 41' ' ' LEU . 8.1 mtpm? -69.82 -45.74 67.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.12 -0.946 . . . . 75.02 110.883 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.621 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.6 pp -73.08 -20.97 60.85 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 118.24 0.473 . . . . 64.14 111.309 -172.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -76.49 -45.42 31.09 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.981 -0.748 . . . . 64.15 108.981 174.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -58.09 -42.8 86.4 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.07 0.856 . . . . 74.32 110.444 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 456' ' ' TYR . 67.4 p -66.67 -59.5 3.54 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 123.785 0.678 . . . . 51.05 109.869 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.0 p -53.4 -29.27 34.02 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.556 0.742 . . . . 71.04 112.466 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.474 ' O ' HG22 ' A' ' 458' ' ' THR . 23.3 t -63.92 -62.77 1.42 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.42 0.688 . . . . 72.02 110.96 175.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 456' ' ' TYR . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 1.2 p90 -72.94 -20.98 60.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.507 -0.745 . . . . 73.22 112.371 -177.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.84 -34.1 60.07 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.258 0.623 . . . . 51.42 110.47 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 455' ' ' SER . 13.0 t -74.23 -33.09 63.24 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 117.878 0.308 . . . . 55.44 110.386 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 459' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 455' ' ' SER . 83.5 mt-30 -64.47 -47.04 80.5 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 123.467 0.479 . . . . 74.51 109.898 172.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -60.31 -39.78 88.2 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 114.67 -1.15 . . . . 72.42 110.204 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.11 -47.54 76.79 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 123.606 0.762 . . . . 71.32 110.807 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 94.2 m -60.58 -41.2 94.19 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 123.975 0.797 . . . . 61.24 111.276 -175.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.33 -52.99 8.83 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.927 -0.579 . . . . 70.24 111.558 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' MET . . . . . 0.477 ' SD ' HG23 ' A' ' 64' ' ' VAL . 53.8 ttm -61.15 -33.24 73.1 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.426 0.69 . . . . 44.53 110.994 -176.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -73.27 -71.47 0.31 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.316 -0.994 . . . . 74.44 108.316 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 86.23 2.46 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 112.88 0.696 . . . . 71.45 112.88 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 CA--C 1.558 1.252 0 O-C-N 121.761 -0.587 . . . . 74.52 109.881 162.316 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptt? . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.091 0.472 . . . . 73.2 110.184 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.4 p -63.98 -47.27 81.04 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.839 0.856 . . . . 65.1 112.05 -176.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -64.88 -35.1 80.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.723 0.809 . . . . 71.35 111.388 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.418 ' O ' HG13 ' A' ' 8' ' ' ILE . 38.5 m -78.44 -40.08 36.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 122.869 0.468 . . . . 72.12 111.542 -177.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.7 p -70.6 -37.06 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 118.117 0.417 . . . . 74.45 110.959 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.69 -40.58 88.59 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 109.242 -0.651 . . . . 74.24 109.242 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' THR . 57.9 t80 -52.69 -53.82 42.12 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.116 0.966 . . . . 74.41 111.418 173.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 4' ' ' THR . 98.7 mt -55.31 -59.34 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 124.589 1.156 . . . . 63.13 111.186 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 88.2 m-20 -60.68 -46.08 91.73 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.428 -1.26 . . . . 71.03 111.807 -172.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 14' ' ' ILE . 80.6 mtm180 -72.81 -35.04 67.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 118.564 -0.731 . . . . 74.32 111.832 -173.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.473 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 48.5 m95 -61.32 -41.4 96.96 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 118.609 0.641 . . . . 63.55 110.274 172.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.28 -42.41 95.38 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.585 0.553 . . . . 72.13 110.519 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 22.0 mmt180 -59.47 -45.61 91.14 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.656 0.598 . . . . 71.12 110.196 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' ARG . 90.2 mt -54.38 -50.64 55.76 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 O-C-N 124.396 1.06 . . . . 62.14 109.926 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.08 -43.91 97.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.185 0.994 . . . . 72.24 112.802 -177.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.65 -46.26 90.54 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.768 0.827 . . . . 75.14 110.141 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 90.8 mt -61.25 -45.89 92.63 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.811 -1.086 . . . . 74.11 110.066 177.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.0 m -52.22 -53.51 42.58 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.639 1.175 . . . . 54.43 111.139 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.95 -47.21 84.2 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-N 114.821 -1.081 . . . . 72.43 110.732 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 52.2 m -57.99 -55.84 29.67 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.951 0.782 . . . . 70.55 111.831 -177.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.588 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -70.3 -25.13 63.18 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.219 0.608 . . . . 53.24 112.071 -175.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.6 tp -63.98 -46.48 84.42 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.467 0.479 . . . . 43.42 110.067 175.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.69 -43.33 94.11 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.766 -1.107 . . . . 73.25 109.965 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 32' ' ' LEU . 67.1 mt -66.89 -29.2 69.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.844 0.857 . . . . 72.42 112.061 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.39 -46.15 56.56 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.559 0.744 . . . . 62.14 110.939 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -75.6 -22.34 57.0 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.046 0.538 . . . . 73.12 111.281 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 27.5 mmm-85 -70.93 -24.53 62.47 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.724 0.81 . . . . 72.43 110.934 170.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.66 8.24 73.87 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-N 116.243 -0.435 . . . . 70.03 112.64 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 34.5 mm-40 -76.51 89.77 3.28 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.05 0.94 . . . . 65.3 109.884 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -77.61 -35.68 52.54 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.489 0.493 . . . . 72.14 111.421 -176.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.86 -45.89 90.47 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.147 0.499 . . . . 62.5 110.087 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' A' ' 24' ' ' LEU . 87.8 mt -70.48 -41.06 73.21 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.11 -0.95 . . . . 60.32 111.129 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.0 tp -58.19 -49.36 77.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.716 0.806 . . . . 74.3 111.23 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 443' ' ' LEU . 81.7 mt -77.91 -18.71 55.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.857 0.863 . . . . 50.31 111.712 -175.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -67.58 -38.83 84.61 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.609 -0.515 . . . . 53.34 109.609 169.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 73.4 mm-40 -79.97 -27.52 39.69 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.435 -0.802 . . . . 75.45 110.822 178.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -47.23 -60.02 2.77 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.887 1.275 . . . . 72.4 111.809 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.7 m -58.94 -44.49 91.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 115.048 -0.978 . . . . 65.32 111.357 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m -60.15 -46.77 88.54 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.197 0.999 . . . . 51.14 110.571 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -68.81 -57.96 4.86 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 125.704 1.602 . . . . 72.23 111.993 -170.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.69 -40.59 97.59 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.125 0.891 . . . . 52.44 110.558 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -65.73 -38.12 88.26 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.513 0.508 . . . . 74.31 110.916 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.453 ' HA ' HG22 ' A' ' 46' ' ' THR . 69.0 m -61.08 -38.22 85.48 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.072 0.549 . . . . 71.45 111.331 177.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.565 HG23 HD21 ' A' ' 457' ' ' LEU . 75.4 mt -65.82 -43.03 93.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 121.459 0.647 . . . . 62.54 110.53 176.479 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.66 -35.48 77.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.313 0.645 . . . . 74.41 112.094 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 43' ' ' SER . 13.1 t -79.0 -31.25 44.7 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.66 0.384 . . . . 74.54 111.141 -175.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 m -70.87 -33.35 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 118.259 0.482 . . . . 75.41 110.086 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.1 mmt -77.42 -12.71 59.99 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.277 0.631 . . . . 73.03 112.405 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -67.69 -33.49 75.01 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 109.677 -0.49 . . . . 64.33 109.677 168.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -89.49 -17.92 27.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.432 0.693 . . . . 72.42 110.848 171.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 43.36 39.52 2.18 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 126.102 1.761 . . . . 74.04 112.911 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.9 m 68.07 101.51 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 125.146 1.379 . . . . 74.24 111.095 -174.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -51.57 155.67 7.21 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 123.466 2.777 . . . . 75.51 113.815 172.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -63.13 -38.52 44.87 Favored 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.761 2.307 . . . . 71.02 112.522 174.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.99 66.9 3.82 Favored Glycine 0 C--N 1.35 1.31 0 CA-C-N 115.964 -0.562 . . . . 71.42 113.107 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.5 mm -118.94 113.43 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 108.201 -1.037 . . . . 55.02 108.201 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -77.91 170.8 15.98 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.184 0.594 . . . . 61.34 110.009 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -24.99 65.03 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.292 0.637 . . . . 74.44 111.961 -174.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 63' ' ' MET . 29.0 t -72.35 -46.67 54.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.39 0.676 . . . . 73.12 110.545 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.417 HG23 HG12 ' A' ' 8' ' ' ILE . 80.2 mt -67.45 -41.11 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.749 0.819 . . . . 64.14 110.093 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.8 -46.43 74.47 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.831 1.253 . . . . 64.13 110.801 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.66 -49.28 78.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.95 0.9 . . . . 52.31 111.634 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 59' ' ' SER . 48.5 mtm -59.95 -55.97 27.44 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 123.789 0.681 . . . . 53.4 110.475 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 68' ' ' ILE . 29.2 m -69.11 -33.12 56.98 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 CA-C-N 115.388 -0.823 . . . . 74.43 111.693 -173.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.82 -34.67 78.43 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.386 0.429 . . . . 61.31 110.208 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -64.09 -39.33 97.08 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.697 -0.683 . . . . 64.54 111.958 172.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.86 -30.02 64.99 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.325 0.65 . . . . 61.35 111.456 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 64' ' ' VAL . 50.8 mt -73.75 -36.84 47.5 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 N-CA-C 109.049 -0.723 . . . . 64.14 109.049 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -60.01 -45.15 93.72 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.052 -0.722 . . . . 60.43 109.052 175.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 76.9 mt-30 -62.72 -49.03 76.67 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 115.684 -0.689 . . . . 54.34 111.079 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.547 HG22 ' HA ' ' A' ' 68' ' ' ILE . 10.7 t -64.24 -44.22 92.49 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 123.617 0.573 . . . . 72.41 110.728 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.44 -44.4 92.92 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.809 0.844 . . . . 62.11 112.062 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.44 -54.86 33.99 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.166 0.987 . . . . 75.0 110.657 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.429 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 10.1 m120 -67.68 -37.74 82.74 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.273 -0.876 . . . . 62.55 111.036 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.538 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.8 tt0 -73.97 -27.18 60.86 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.821 1.248 . . . . 74.44 111.564 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.2 tt0 -65.47 -43.46 90.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.786 0.834 . . . . 75.11 110.043 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.82 -31.22 68.98 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.15 -0.932 . . . . 70.01 111.002 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 75' ' ' GLU . 92.3 mt -66.23 -42.07 89.18 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.365 0.666 . . . . 73.43 110.132 172.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.25 -52.32 63.78 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.861 0.725 . . . . 75.44 110.103 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.09 -46.47 65.39 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.761 0.663 . . . . 70.13 113.712 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.4 -56.32 19.36 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.184 0.993 . . . . 65.44 110.022 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.06 -22.56 64.02 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 115.772 -0.649 . . . . 73.34 111.473 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 60.0 tt0 -61.68 -46.21 90.69 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.353 0.524 . . . . 64.21 110.192 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -59.82 -50.46 73.71 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.863 -1.062 . . . . 71.14 110.434 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.1 mmp_? -59.22 -49.37 78.11 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.006 -0.997 . . . . 63.13 111.286 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.2 -31.41 70.91 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.881 0.872 . . . . 75.11 112.152 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.79 -48.24 81.53 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.336 0.589 . . . . 71.54 109.604 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 33.4 mt-10 -60.69 -57.46 12.59 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 114.675 -1.148 . . . . 73.52 110.237 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 88.0 mt -56.61 -41.63 77.38 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.041 0.936 . . . . 74.51 111.506 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -60.55 -46.84 88.7 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.628 0.771 . . . . 61.04 110.966 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 26.9 t -65.22 -39.87 93.34 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 123.77 0.669 . . . . 74.32 111.061 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 95.9 mt -64.57 -47.64 77.97 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.555 0.742 . . . . 65.13 111.177 -177.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.63 -41.07 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.06 0.944 . . . . 62.24 109.671 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.22 -29.05 67.77 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 115.696 -0.684 . . . . 63.41 113.561 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.4 mm100 -86.89 -52.48 5.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.401 0.68 . . . . 74.31 111.315 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 26.7 m -75.43 -37.81 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.747 0.419 . . . . 74.32 111.495 -170.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tt -79.3 111.67 15.77 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.175 -1.417 . . . . 72.12 107.175 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.463 ' HB2' ' HG2' ' A' ' 107' ' ' PRO . 52.2 m-85 -86.22 85.85 7.34 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.447 -0.945 . . . . 55.34 108.447 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -86.39 18.03 3.46 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.038 -0.983 . . . . 71.42 111.919 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.72 -73.54 0.25 Allowed Glycine 0 C--N 1.337 0.614 0 N-CA-C 110.231 -1.147 . . . . 71.44 110.231 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -81.0 -174.51 2.26 Favored 'Trans proline' 0 C--N 1.375 1.925 0 C-N-CA 123.376 2.717 . . . . 72.34 113.15 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.2 m 66.01 16.79 10.6 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.261 1.424 . . . . 74.31 112.973 175.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.33 157.14 39.62 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.096 0.959 . . . . 33.24 109.215 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.8 -53.84 35.11 Favored Glycine 0 C--N 1.35 1.359 0 O-C-N 123.88 0.738 . . . . 41.32 111.948 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.8 pp -98.41 -175.9 3.23 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.576 0.75 . . . . 74.04 109.324 170.118 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.2 t -110.19 97.99 33.19 Favored Pre-proline 0 CA--C 1.552 1.04 0 N-CA-C 108.705 -0.85 . . . . 65.13 108.705 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.463 ' HG2' ' HB2' ' A' ' 98' ' ' PHE . 95.1 Cg_endo -87.48 53.77 2.58 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 123.245 2.63 . . . . 74.41 111.221 174.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -98.84 53.64 1.0 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 122.164 0.983 . . . . 63.15 108.476 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.16 94.27 0.8 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.971 -1.252 . . . . 74.04 109.971 170.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 m -63.42 91.12 0.05 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.737 0.815 . . . . 74.22 110.553 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 148.25 -40.89 0.92 Allowed Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.057 -0.974 . . . . 64.03 111.066 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.55 145.83 9.88 Favored Glycine 0 C--N 1.356 1.651 0 N-CA-C 113.816 0.286 . . . . 51.12 113.816 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mp -118.47 161.93 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 N-CA-C 107.606 -1.257 . . . . 75.33 107.606 173.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.96 132.79 36.82 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.209 0.604 . . . . 63.4 110.598 176.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.6 -170.59 38.7 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 113.63 0.212 . . . . 63.44 113.63 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 24.2 t -72.35 -16.47 61.87 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.422 1.089 . . . . 75.03 112.322 -175.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -35.81 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.231 0.612 . . . . 64.22 110.043 173.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.14 -45.09 91.87 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.662 0.785 . . . . 72.2 111.482 175.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 50.7 mt-10 -66.44 -48.88 68.56 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 123.832 0.708 . . . . 71.21 110.758 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.8 t -65.64 -34.21 77.7 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.039 0.212 . . . . 74.21 111.306 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 46.6 t -61.74 -51.01 77.87 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 N-CA-C 108.848 -0.797 . . . . 73.42 108.848 170.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.73 86.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.791 0.836 . . . . 70.14 112.547 -175.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 18.5 mmt180 -76.25 -54.24 7.07 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.8 0.44 . . . . 53.25 110.337 -175.751 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -67.88 -27.07 66.35 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.392 0.432 . . . . 73.14 111.395 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -75.75 -41.93 51.87 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.211 0.605 . . . . 63.2 110.508 176.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.1 73.04 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.337 0.398 . . . . 61.22 109.935 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -60.12 -44.35 94.96 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.428 0.691 . . . . 71.4 111.128 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.94 -57.13 14.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.744 0.418 . . . . 72.44 110.388 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 28.8 m -59.05 -35.7 73.78 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.106 0.962 . . . . 75.51 111.951 -175.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 -71.19 -49.94 38.36 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.694 0.797 . . . . 73.21 111.591 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.487 HD12 HD21 ' A' ' 34' ' ' LEU . 10.4 mp -69.17 -21.96 63.95 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.742 0.417 . . . . 63.32 111.097 175.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.78 -43.36 16.83 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.967 0.907 . . . . 64.14 110.808 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.8 t -69.93 -31.89 69.88 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 109.068 -0.716 . . . . 43.14 109.068 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.564 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.3 ttt -62.55 -46.42 88.45 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 123.801 0.688 . . . . 70.1 109.608 171.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.484 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 17.4 ttm -62.67 -50.62 70.44 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.234 0.958 . . . . 73.53 112.366 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 24.3 p -63.78 -38.06 89.7 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.158 0.583 . . . . 71.21 110.792 -176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -70.35 -44.67 67.68 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 115.896 -0.593 . . . . 72.02 111.055 174.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.564 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -71.85 -19.13 62.01 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 118.016 0.371 . . . . 71.54 110.924 -176.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -74.8 -49.27 21.38 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.991 0.916 . . . . 75.43 109.158 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -60.46 -44.78 95.51 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-N 115.201 -0.909 . . . . 72.33 110.583 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.429 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 63.0 p -64.45 -59.56 4.2 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 118.108 -0.949 . . . . 63.34 109.736 -177.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 80.9 p -52.39 -30.47 29.3 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.576 0.75 . . . . 75.44 112.585 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.4 t -60.62 -65.3 0.71 Allowed 'General case' 0 CA--C 1.548 0.899 0 O-C-N 123.677 0.611 . . . . 73.24 110.714 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -71.13 -18.33 62.52 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.645 0.609 . . . . 74.4 112.645 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.565 HD21 HG23 ' A' ' 44' ' ' ILE . 70.6 mt -77.19 -39.12 49.94 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.95 0.9 . . . . 62.44 111.22 177.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 12.3 t -72.44 -33.16 66.88 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 109.839 -0.43 . . . . 74.12 109.839 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -65.0 -46.56 80.91 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.591 0.557 . . . . 74.23 109.919 171.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -57.75 -44.05 85.84 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.545 1.138 . . . . 55.13 110.925 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -63.39 -55.37 24.96 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 124.09 0.869 . . . . 73.14 110.784 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 34.7 m -60.09 -37.47 80.03 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 124.13 0.894 . . . . 73.24 111.582 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.51 -50.63 20.49 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.091 0.556 . . . . 61.14 111.259 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 464' ' ' MET . . . . . 0.464 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.8 ttm -61.65 -35.57 78.3 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.375 0.67 . . . . 74.4 110.936 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -81.26 -66.03 0.94 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.327 -0.851 . . . . 53.04 109.117 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.04 79.53 1.8 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.419 0.688 . . . . 71.55 111.667 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.561 1.397 0 O-C-N 121.818 -0.551 . . . . 61.12 111.295 168.739 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.571 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 24.7 ptt? . . . . . 0 CA--C 1.557 1.236 0 CA-C-O 121.761 0.791 . . . . 72.5 110.416 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.6 p -74.36 -47.81 31.89 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.153 0.581 . . . . 51.01 111.193 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -63.73 -32.5 74.01 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 115.804 -0.635 . . . . 42.33 110.445 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.571 ' HB ' ' HB2' ' A' ' 1' ' ' MET . 36.4 m -81.0 -33.81 33.41 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.884 -0.598 . . . . 71.31 111.855 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.91 -42.02 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 118.933 0.788 . . . . 74.24 110.19 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.96 -34.26 75.05 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.6 0.36 . . . . 63.53 110.506 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 4' ' ' THR . 46.0 t80 -53.34 -53.63 48.32 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.171 0.989 . . . . 72.11 110.818 170.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.501 HG12 HG23 ' A' ' 60' ' ' ILE . 92.3 mt -54.2 -57.72 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 124.025 0.93 . . . . 75.14 110.72 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.515 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 74.8 m-20 -58.82 -47.41 84.89 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.916 -1.493 . . . . 71.4 111.515 -172.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.2 mtm180 -72.49 -35.03 68.07 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 118.626 -0.702 . . . . 74.12 111.949 -175.005 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -65.87 -36.32 83.11 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 118.676 0.671 . . . . 55.51 110.839 173.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -58.66 -44.87 90.29 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 123.798 0.687 . . . . 74.25 109.717 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 21.3 mmt180 -63.97 -42.15 97.35 Favored 'General case' 0 C--N 1.358 0.974 0 O-C-N 123.465 0.478 . . . . 75.12 110.384 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 10' ' ' ARG . 95.9 mt -60.52 -43.7 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 123.876 0.87 . . . . 71.44 110.737 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.78 77.2 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.697 0.399 . . . . 71.43 111.715 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.82 -35.11 78.04 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.919 0.488 . . . . 73.42 111.165 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 79.6 mt -72.61 -49.17 33.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.548 0.739 . . . . 61.02 110.522 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.8 p -56.27 -40.14 73.77 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.971 0.794 . . . . 74.21 110.487 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.8 tt0 -64.82 -47.16 79.03 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.235 0.96 . . . . 73.32 111.264 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.2 m -58.67 -56.98 15.17 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.377 0.671 . . . . 52.13 111.065 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.726 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -74.44 -19.41 60.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.009 0.524 . . . . 61.01 112.068 -174.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.3 -47.89 82.29 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.316 -0.624 . . . . 71.12 109.316 170.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.91 -42.56 98.3 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 114.548 -1.206 . . . . 73.2 110.464 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 20' ' ' SER . 55.9 mt -68.86 -32.1 71.53 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.85 0.86 . . . . 61.01 111.446 -178.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -72.48 -48.51 40.17 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.779 0.832 . . . . 43.11 111.06 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -70.79 -26.99 63.58 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.682 0.393 . . . . 72.42 111.048 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -79.14 -21.17 46.91 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.923 0.889 . . . . 63.12 112.027 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.05 6.41 71.8 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 119.975 -0.347 . . . . 54.01 113.705 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -79.55 80.24 5.95 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.206 -0.664 . . . . 73.54 109.206 172.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 42.3 m95 -68.35 -38.81 81.81 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 114.81 -1.087 . . . . 62.43 111.512 -175.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.37 -38.01 70.85 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.671 0.788 . . . . 51.54 111.206 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.4 mt -80.61 -32.91 36.21 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.401 -0.818 . . . . 45.21 110.995 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' A' ' 21' ' ' LEU . 42.9 tp -60.35 -37.95 82.31 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.553 0.741 . . . . 74.54 110.291 171.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 443' ' ' LEU . 87.2 mt -78.03 -32.34 50.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.639 1.175 . . . . 72.32 110.886 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.4 -44.05 96.08 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.441 -0.799 . . . . 63.55 109.587 173.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -89.07 -10.41 47.53 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.492 -0.777 . . . . 75.04 112.514 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -57.56 -55.78 30.36 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.129 0.572 . . . . 75.43 110.15 173.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.2 m -61.46 -41.39 89.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.831 -1.077 . . . . 51.22 111.576 -174.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 p -72.38 -43.5 63.89 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.721 0.809 . . . . 74.25 111.075 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.05 -56.21 14.37 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.417 1.087 . . . . 73.13 111.722 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.11 -37.53 87.8 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.41 -0.814 . . . . 74.11 110.46 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -55.15 -46.45 75.72 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 123.773 0.671 . . . . 63.13 111.558 172.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.3 m -61.28 -42.13 98.12 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 123.341 0.657 . . . . 72.33 111.413 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.408 HG23 HD21 ' A' ' 457' ' ' LEU . 56.9 mt -66.9 -41.22 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 116.019 -0.537 . . . . 61.44 110.323 177.493 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.67 -32.13 72.59 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.389 0.675 . . . . 55.33 111.516 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -84.75 -27.77 26.7 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 111.965 0.357 . . . . 72.32 111.965 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' HG2' ' A' ' 48' ' ' MET . 35.5 m -75.92 -32.85 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 121.75 -0.594 . . . . 75.25 110.386 170.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.478 ' HG2' HG23 ' A' ' 47' ' ' VAL . 17.2 mmt -98.75 0.02 43.62 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.547 0.944 . . . . 74.33 113.547 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.27 -31.15 63.91 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.692 -0.855 . . . . 74.32 108.692 166.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -35.73 16.07 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 114.262 -1.335 . . . . 71.34 108.621 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 69.84 59.13 0.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.115 1.366 . . . . 72.24 110.812 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.2 m 64.8 114.07 0.02 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.789 1.236 . . . . 70.31 112.944 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -67.45 129.28 19.84 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.627 2.218 . . . . 73.42 111.761 170.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.16 99.33 1.25 Allowed 'Trans proline' 0 C--N 1.37 1.7 0 C-N-CA 122.805 2.337 . . . . 64.11 109.967 171.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.84 42.28 0.02 OUTLIER Glycine 0 C--N 1.336 0.558 0 N-CA-C 110.2 -1.16 . . . . 74.41 110.2 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -110.59 116.08 51.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.179 0.992 . . . . 75.12 108.534 -173.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 t -76.07 175.95 8.44 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 117.807 0.276 . . . . 74.33 110.622 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 59' ' ' SER . 5.2 ppt_? -65.98 -30.02 70.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.596 0.758 . . . . 73.34 111.952 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 35.2 t -73.81 -44.02 57.09 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.198 0.599 . . . . 53.52 110.696 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.501 HG23 HG12 ' A' ' 8' ' ' ILE . 95.5 mt -72.62 -41.54 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.576 0.75 . . . . 72.24 110.266 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' HG3' ' HG2' ' A' ' 464' ' ' MET . 35.7 tt0 -60.98 -37.08 81.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.223 1.009 . . . . 73.43 110.46 176.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.05 -51.19 65.3 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.714 0.806 . . . . 75.44 110.159 175.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 59' ' ' SER . 55.5 mtm -58.8 -57.06 14.71 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.289 0.636 . . . . 64.41 111.0 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.4 m -68.25 -27.06 35.58 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.017 0 CA-C-N 115.876 -0.602 . . . . 71.41 111.976 -175.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.32 90.66 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 118.287 0.494 . . . . 71.32 109.775 171.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -64.17 -45.31 94.02 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 115.731 -0.668 . . . . 63.22 112.201 172.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -65.24 -37.31 86.84 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.458 0.703 . . . . 72.3 112.128 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 64' ' ' VAL . 83.4 mt -72.28 -41.07 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.708 -0.849 . . . . 71.12 108.708 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -58.32 -41.35 84.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.338 0.655 . . . . 71.12 111.037 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 75.1 mt-30 -63.0 -53.19 57.89 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.578 -0.737 . . . . 75.43 109.917 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -28.15 68.15 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 114.947 -1.024 . . . . 64.13 111.069 -171.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.42 -48.54 55.56 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.628 0.771 . . . . 74.12 110.665 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 18.4 t70 -55.52 -54.22 46.67 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 124.162 0.914 . . . . 70.31 110.262 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.459 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -64.24 -42.3 96.59 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.838 -1.074 . . . . 44.2 111.172 -174.574 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.622 ' HA ' HD12 ' A' ' 78' ' ' LEU . 37.5 tt0 -74.81 -26.32 59.65 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.979 0.912 . . . . 74.21 111.516 -177.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -71.6 -39.27 70.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.311 0.644 . . . . 73.11 109.749 171.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 89.1 mt -67.11 -33.64 75.89 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.866 -0.606 . . . . 72.52 110.187 176.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 75' ' ' GLU . 87.6 mt -63.54 -44.71 93.42 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.221 0.608 . . . . 72.05 110.122 172.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -53.81 -54.71 34.52 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.396 0.678 . . . . 74.51 110.575 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -49.05 52.42 Favored Glycine 0 C--N 1.351 1.365 0 O-C-N 123.77 0.669 . . . . 73.41 113.669 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.43 -54.52 35.34 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.994 0.918 . . . . 70.31 109.931 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 HD23 ' A' ' 443' ' ' LEU . 76.8 mt -67.72 -25.2 65.53 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.016 0.526 . . . . 34.04 111.328 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -64.39 -43.34 94.74 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.282 0.492 . . . . 61.14 110.829 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.35 -49.07 79.24 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.878 0.736 . . . . 75.22 109.54 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 1.2 mmp_? -57.7 -50.76 72.12 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.255 0.972 . . . . 73.31 111.734 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 443' ' ' LEU . 95.9 mt -71.87 -25.19 61.84 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.896 0.878 . . . . 74.14 112.263 -176.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.1 -37.8 72.39 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.454 -0.572 . . . . 71.24 109.454 174.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 34.8 mt-10 -69.6 -47.39 63.68 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.864 0.866 . . . . 75.21 110.403 175.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.558 HD12 HD23 ' A' ' 86' ' ' LEU . 96.0 mt -62.13 -44.12 97.34 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.786 0.834 . . . . 73.2 110.462 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.1 t -69.14 -32.82 72.45 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.129 0.572 . . . . 64.02 111.308 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.1 t -64.41 -38.02 89.58 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.336 0.654 . . . . 62.51 110.124 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 93.5 mt -69.76 -48.67 58.48 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.528 -0.76 . . . . 52.42 110.037 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 89' ' ' LEU . 95.8 mt -60.44 -40.73 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 124.522 1.129 . . . . 74.53 110.976 -177.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.55 -25.53 63.31 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.191 -0.459 . . . . 31.01 113.622 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -93.34 -50.73 5.32 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.646 0.778 . . . . 72.0 110.741 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.576 HG23 HG22 ' A' ' 433' ' ' VAL . 22.4 m -79.89 -26.71 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.491 0.716 . . . . 73.2 112.404 -167.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 tt -91.63 114.56 27.13 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 107.265 -1.383 . . . . 70.22 107.265 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -85.27 94.69 8.98 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.165 -1.05 . . . . 65.23 108.165 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -87.02 -14.89 40.31 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.027 0.531 . . . . 74.53 111.942 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.633 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . -165.34 -77.97 0.03 OUTLIER Glycine 0 C--N 1.346 1.089 0 N-CA-C 111.555 -0.618 . . . . 74.41 111.555 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.54 -168.61 0.64 Allowed 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 123.441 2.761 . . . . 54.21 111.864 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.2 m 66.08 21.91 11.18 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.401 1.08 . . . . 73.33 111.12 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -156.19 175.14 14.37 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.617 1.167 . . . . 64.44 109.98 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.36 -49.85 8.92 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 112.003 -0.439 . . . . 74.11 112.003 176.102 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 pp -108.32 -177.52 3.35 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.325 1.05 . . . . 72.2 109.849 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.633 HG13 ' HA2' ' A' ' 100' ' ' GLY . 86.7 t -92.29 101.42 4.86 Favored Pre-proline 0 CA--C 1.554 1.122 0 N-CA-C 108.656 -0.868 . . . . 65.14 108.656 174.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -81.13 26.79 0.59 Allowed 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 123.813 3.008 . . . . 53.4 113.275 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.3 ttp85 -72.89 92.09 1.58 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.795 0.838 . . . . 75.22 109.737 172.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.32 107.81 0.35 Allowed Glycine 0 C--N 1.338 0.664 0 N-CA-C 110.704 -0.958 . . . . 62.2 110.704 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.6 m -75.84 85.63 2.8 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.26 0.624 . . . . 55.44 110.159 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -169.47 -60.54 0.03 OUTLIER Glycine 0 C--N 1.336 0.541 0 N-CA-C 110.473 -1.051 . . . . 42.12 110.473 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.67 149.79 10.34 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 113.616 0.206 . . . . 55.52 113.616 177.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.2 146.7 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 107.071 -1.455 . . . . 55.35 107.071 172.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.34 137.02 48.11 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.636 0.653 . . . . 74.1 111.025 176.183 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.54 173.35 30.91 Favored Glycine 0 C--N 1.352 1.447 0 CA-C-N 116.322 -0.399 . . . . 71.34 113.018 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 29.5 t -72.44 -9.61 58.75 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.502 1.121 . . . . 64.24 111.993 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -38.57 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.991 0.917 . . . . 51.31 110.075 168.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.73 -42.98 90.06 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 123.812 0.845 . . . . 64.02 111.016 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.6 mt-10 -64.79 -56.85 11.02 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 123.966 0.791 . . . . 73.51 111.014 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 14.1 t -63.05 -40.87 98.99 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 123.447 0.467 . . . . 75.11 111.968 -174.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.576 HG22 HG23 ' A' ' 96' ' ' VAL . 82.6 t -67.43 -37.13 78.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 122.83 0.452 . . . . 54.03 110.177 177.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.96 82.18 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.197 0.599 . . . . 61.22 111.376 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 23.1 mmt180 -68.32 -47.47 67.44 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 109.723 -0.473 . . . . 73.12 109.723 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -63.58 -37.41 87.22 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.68 0.392 . . . . 73.32 111.246 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -71.54 -33.98 69.61 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.217 1.007 . . . . 75.15 110.296 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.1 -55.97 15.67 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 109.639 -0.504 . . . . 51.13 109.639 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 21.1 mm-40 -61.83 -35.21 77.58 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.693 -0.685 . . . . 75.3 110.681 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.92 -63.93 0.99 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 115.999 -0.546 . . . . 64.33 110.192 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 35.0 m -60.48 -40.38 91.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.755 0.822 . . . . 74.31 112.166 -172.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -68.42 -50.93 49.16 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.573 0.749 . . . . 72.1 111.312 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.628 ' HB2' HD21 ' A' ' 86' ' ' LEU . 8.6 mp -72.18 -20.51 61.58 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 121.997 0.119 . . . . 50.54 111.005 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -78.12 -44.4 26.2 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.945 0.898 . . . . 64.22 111.033 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 t -72.19 -33.02 67.32 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.509 -0.552 . . . . 73.23 109.509 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.627 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.1 ttt -61.01 -43.86 98.27 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.937 0.773 . . . . 72.13 109.356 171.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.552 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 46.7 ttm -65.05 -47.41 77.43 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.087 0.867 . . . . 75.0 111.684 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 18.7 m -59.0 -41.43 87.68 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.225 0.536 . . . . 62.05 110.545 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.41 ' O ' HG23 ' A' ' 453' ' ' THR . 58.1 mtpt -69.05 -49.46 57.25 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.9 -1.045 . . . . 71.33 110.661 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.627 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.2 pp -72.36 -19.44 61.63 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.758 0.313 . . . . 74.11 111.623 -173.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -76.19 -48.5 20.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.862 0.865 . . . . 72.21 109.226 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -64.32 -38.32 90.62 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 115.232 -0.895 . . . . 61.0 110.504 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 54.2 p -65.85 -60.62 2.69 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 118.386 -0.816 . . . . 73.43 109.418 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.7 p -52.36 -30.3 28.13 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.521 0.728 . . . . 75.14 112.144 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 458' ' ' THR . 44.0 t -58.71 -66.83 0.43 Allowed 'General case' 0 CA--C 1.551 1.019 0 O-C-N 123.8 0.687 . . . . 63.23 110.627 171.392 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -71.48 -20.42 62.08 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.944 0.72 . . . . 74.41 112.944 -176.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.408 HD21 HG23 ' A' ' 44' ' ' ILE . 69.3 mt -73.25 -41.37 63.77 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.72 0.808 . . . . 62.14 110.368 178.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 455' ' ' SER . 6.7 t -72.84 -33.54 66.22 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.129 0.268 . . . . 72.14 110.518 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -65.02 -43.63 91.81 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.171 -0.468 . . . . 75.5 109.92 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -70.2 -31.32 68.71 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.324 -0.853 . . . . 72.52 110.754 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.81 -56.58 14.39 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.164 0.585 . . . . 72.2 109.717 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 25.1 m -63.92 -32.74 74.37 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 123.864 0.728 . . . . 71.11 111.756 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.47 -51.45 20.1 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.027 0.442 . . . . 64.34 111.095 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 464' ' ' MET . . . . . 0.434 ' HG2' ' HG3' ' A' ' 61' ' ' GLN . 50.5 ttm -64.74 -34.64 78.82 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.388 -0.824 . . . . 74.13 110.559 -177.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -75.97 -67.9 0.63 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.721 -0.844 . . . . 64.31 108.721 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 466' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 466' ' ' LYS . 0.0 OUTLIER -122.79 80.5 1.76 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.407 0.683 . . . . 75.41 111.209 177.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 CA--C 1.566 1.574 0 C-N-CA 124.107 0.963 . . . . 75.51 112.268 163.3 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.448 -0.575 . . . . 74.22 109.448 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.5 p -62.56 -50.47 71.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.641 0.776 . . . . 74.4 111.63 -174.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -62.39 -41.07 98.38 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.043 0.937 . . . . 62.45 111.229 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.422 ' O ' HG13 ' A' ' 8' ' ' ILE . 62.2 m -75.18 -38.69 60.75 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.137 -0.938 . . . . 53.51 112.076 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.89 -40.5 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 118.459 0.572 . . . . 75.22 110.562 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.15 -36.27 79.4 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 110.144 -0.317 . . . . 75.53 110.144 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' ' 64' ' ' VAL . 50.3 t80 -54.28 -52.23 62.1 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.713 0.805 . . . . 72.13 110.501 170.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 4' ' ' THR . 97.4 mt -61.44 -56.99 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.004 0.922 . . . . 71.13 111.619 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.492 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 50.5 m-80 -59.44 -42.47 92.0 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.824 0.703 . . . . 73.21 112.115 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 14' ' ' ILE . 86.4 mtm180 -75.71 -37.97 59.0 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 118.663 -0.685 . . . . 72.24 111.715 -175.325 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 53.3 m95 -63.97 -36.92 85.56 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 118.763 0.71 . . . . 72.5 110.827 172.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.6 tt0 -59.28 -46.23 89.11 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 114.804 -1.089 . . . . 72.41 109.038 174.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 82.2 mmt-85 -59.21 -50.74 72.84 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 123.682 0.614 . . . . 63.34 110.275 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.7 mt -53.31 -44.3 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 124.192 0.997 . . . . 65.42 111.73 -175.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.14 -43.87 55.84 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.785 0.661 . . . . 72.11 112.785 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 89.6 mt -65.15 -38.63 91.21 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.083 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 95.7 mt -75.1 -42.53 56.39 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.823 0.849 . . . . 72.55 110.341 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.491 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.8 p -58.8 -41.48 86.87 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.627 0.579 . . . . 63.02 110.587 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -64.98 -46.49 81.25 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.157 -0.929 . . . . 73.35 110.552 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -54.6 -59.87 4.12 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.839 0.712 . . . . 73.43 111.437 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.584 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -72.32 -23.32 61.14 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 115.684 -0.689 . . . . 74.02 112.207 -173.304 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HA ' HD21 ' A' ' 78' ' ' LEU . 57.1 tp -59.64 -53.49 57.47 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 109.418 -0.586 . . . . 74.32 109.418 171.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -65.57 -38.04 88.41 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.121 -0.945 . . . . 74.41 111.011 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD13 ' HB3' ' A' ' 32' ' ' LEU . 86.1 mt -59.91 -41.96 92.84 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.602 0.761 . . . . 74.34 110.694 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -63.15 -45.95 89.48 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.584 0.754 . . . . 72.15 111.07 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 93.2 mt-30 -65.35 -28.25 69.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.719 0.808 . . . . 65.15 111.485 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -79.95 -24.04 41.26 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.088 0.955 . . . . 71.52 111.047 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.24 0.09 50.78 Favored Glycine 0 C--N 1.349 1.252 0 O-C-N 123.487 0.492 . . . . 54.04 112.994 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.82 79.11 3.41 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.509 0.724 . . . . 74.11 109.866 172.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -71.79 -30.84 65.97 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 115.16 -0.927 . . . . 72.52 110.322 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.22 -41.18 81.65 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.152 0.581 . . . . 71.23 110.074 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB3' HD13 ' A' ' 24' ' ' LEU . 64.2 mt -74.57 -31.76 62.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.176 0.59 . . . . 51.03 111.313 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD12 ' HB2' ' A' ' 21' ' ' LEU . 27.9 tp -56.25 -45.54 79.98 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.6 0.76 . . . . 74.31 110.25 168.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 HD12 ' A' ' 443' ' ' LEU . 77.7 mt -80.46 -21.24 42.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.43 1.092 . . . . 71.33 112.237 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -72.46 -37.36 68.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.26 -0.644 . . . . 74.2 109.26 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -88.55 -13.94 38.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.322 -0.853 . . . . 63.14 112.128 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.34 -57.02 10.03 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.077 0.951 . . . . 73.15 110.777 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 m -57.72 -44.41 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 114.672 -1.149 . . . . 72.22 111.115 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -61.64 -48.15 82.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.965 0.906 . . . . 72.3 111.243 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.6 t80 -67.69 -61.54 1.84 Allowed 'General case' 0 C--O 1.244 0.774 0 C-N-CA 125.488 1.515 . . . . 73.11 111.475 -171.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.43 -42.24 95.66 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 124.047 0.842 . . . . 74.44 111.006 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -55.97 -47.24 78.01 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.673 0.608 . . . . 53.52 111.484 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -59.08 -42.23 89.91 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 123.882 0.738 . . . . 72.44 111.81 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.546 HG23 HD21 ' A' ' 457' ' ' LEU . 64.0 mt -63.65 -46.63 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-O 121.372 0.606 . . . . 72.31 110.568 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.65 -43.13 97.97 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.038 -0.983 . . . . 62.41 111.602 -177.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -77.34 -36.62 53.67 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 112.056 0.391 . . . . 71.01 112.056 -174.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.07 -33.17 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 CA-C-N 118.169 0.44 . . . . 63.14 111.298 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.599 ' HE2' HD23 ' A' ' 457' ' ' LEU . 20.1 mmt -85.34 -29.37 24.55 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.375 0.509 . . . . 75.14 112.375 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.33 -34.24 76.92 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.42 0.629 . . . . 64.31 110.07 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -35.54 25.68 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.054 -0.975 . . . . 62.44 108.577 173.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 73.66 149.23 0.1 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.497 1.519 . . . . 72.42 111.052 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.5 m -48.84 116.82 5.68 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 124.959 1.304 . . . . 71.33 111.775 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HG2' HD11 ' A' ' 56' ' ' ILE . 40.2 Cg_endo -65.71 149.1 87.35 Favored 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.472 2.115 . . . . 70.12 111.432 174.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 19.5 Cg_exo -67.36 -20.89 48.06 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.811 2.34 . . . . 75.24 113.01 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.01 59.79 4.91 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 116.433 -0.349 . . . . 44.32 112.891 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.423 HD11 ' HG2' ' A' ' 53' ' ' PRO . 50.9 mm -119.66 113.64 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 N-CA-C 107.969 -1.122 . . . . 64.11 107.969 174.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 t -75.02 173.89 10.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.977 0.511 . . . . 74.42 110.271 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 59' ' ' SER . 1.2 ppt_? -66.85 -23.99 66.09 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.437 0.695 . . . . 72.15 111.731 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 37.2 t -70.04 -55.49 9.4 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.153 0.581 . . . . 64.3 110.291 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.1 -35.64 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.38 1.072 . . . . 52.34 110.955 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.76 -42.07 98.51 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.317 1.047 . . . . 65.14 110.754 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.62 -45.98 81.03 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.204 0.602 . . . . 73.3 110.848 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.2 mtp -52.55 -58.25 7.36 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.676 1.19 . . . . 70.44 110.892 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.9 m -74.31 -22.25 17.86 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-N 115.347 -0.842 . . . . 62.35 112.257 -178.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.56 -38.7 91.07 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 118.392 0.542 . . . . 71.12 109.555 170.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.53 -41.74 89.72 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.498 -0.774 . . . . 71.04 111.845 173.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -65.73 -40.91 92.63 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.123 0.569 . . . . 73.33 112.522 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 64' ' ' VAL . 54.5 mt -74.62 -36.13 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 109.417 -0.586 . . . . 45.23 109.417 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.47 -43.18 99.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.682 0.393 . . . . 72.51 110.933 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -61.21 -50.41 73.2 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.807 -0.633 . . . . 71.33 110.435 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 68' ' ' ILE . 4.3 t -67.37 -33.97 76.32 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 123.721 0.638 . . . . 75.13 111.226 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.92 -42.86 89.61 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.214 0.606 . . . . 72.31 111.206 175.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.77 -58.28 9.23 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.081 0.863 . . . . 70.24 110.297 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 -61.58 -43.29 99.14 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.896 -1.047 . . . . 62.13 111.518 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.566 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.5 tt0 -73.32 -26.09 60.9 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.063 0.945 . . . . 62.52 111.867 -176.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -73.26 -39.04 65.72 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.227 0.611 . . . . 73.23 110.376 173.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.64 -33.95 74.9 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.7 -0.682 . . . . 75.23 110.181 176.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 75' ' ' GLU . 91.3 mt -65.15 -42.31 93.89 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.51 0.724 . . . . 45.35 110.177 171.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -53.98 -53.69 49.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.308 0.643 . . . . 75.0 110.179 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.44 -51.46 52.15 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.819 0.699 . . . . 72.25 113.502 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.78 -56.29 21.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.99 0.916 . . . . 74.34 110.832 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.403 HD22 HD23 ' A' ' 443' ' ' LEU . 74.7 mt -63.45 -30.89 71.94 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.711 -0.677 . . . . 72.0 111.131 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -64.74 -39.9 94.41 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 118.142 0.428 . . . . 74.21 110.973 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -60.47 -47.75 84.78 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.709 0.63 . . . . 72.54 109.939 175.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.33 -47.47 85.78 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 115.115 -0.948 . . . . 74.35 111.827 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.58 -32.07 73.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.565 0.746 . . . . 74.25 111.329 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -68.31 -48.8 63.97 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.285 0.634 . . . . 51.5 110.44 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 42.2 mt-10 -63.06 -49.43 74.55 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.5 -0.773 . . . . 54.43 110.645 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 93' ' ' ILE . 94.1 mt -61.23 -43.52 98.75 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.738 0.815 . . . . 61.42 111.017 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.3 t -67.3 -33.32 75.04 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.332 0.653 . . . . 75.25 111.733 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 26.9 t -68.0 -38.3 82.48 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.685 -0.487 . . . . 64.23 109.685 177.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.8 mt -67.59 -42.57 82.27 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.538 -0.756 . . . . 61.53 110.596 176.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 89' ' ' LEU . 92.6 mt -60.19 -38.94 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 123.886 0.874 . . . . 73.31 110.156 175.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.02 -30.19 74.81 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.653 -0.703 . . . . 64.43 113.31 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 91' ' ' SER . 12.5 mm100 -88.47 -43.69 11.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.274 0.63 . . . . 75.31 111.403 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.561 HG23 HG22 ' A' ' 433' ' ' VAL . 23.3 m -87.78 -33.99 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 112.521 0.563 . . . . 71.04 112.521 -167.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 tt -91.43 116.32 28.75 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.328 -0.99 . . . . 70.34 108.328 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -84.7 86.36 7.34 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 108.93 -0.767 . . . . 64.32 108.93 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -21.49 60.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.323 0.649 . . . . 75.32 112.357 -172.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.466 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . -158.12 -74.46 0.02 OUTLIER Glycine 0 C--N 1.347 1.168 0 CA-C-O 119.568 -0.573 . . . . 74.24 111.922 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.52 -165.72 0.32 Allowed 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.252 2.634 . . . . 74.52 112.491 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.6 m 70.42 31.37 3.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.133 1.373 . . . . 74.31 112.32 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -161.1 178.73 9.03 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.175 0.99 . . . . 44.43 109.947 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.81 -46.67 13.44 Favored Glycine 0 C--N 1.348 1.196 0 N-CA-C 112.151 -0.38 . . . . 60.0 112.151 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 pp -107.19 171.15 7.53 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.171 0.988 . . . . 74.01 109.397 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.466 HG13 ' HA2' ' A' ' 100' ' ' GLY . 42.1 t -81.99 107.89 9.83 Favored Pre-proline 0 CA--C 1.554 1.099 0 N-CA-C 108.941 -0.763 . . . . 71.21 108.941 175.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -86.66 42.7 0.93 Allowed 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 123.776 2.984 . . . . 72.41 111.708 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -73.11 83.03 1.29 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.587 0.755 . . . . 72.44 109.025 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.84 57.28 0.32 Allowed Glycine 0 C--N 1.342 0.915 0 N-CA-C 110.707 -0.957 . . . . 72.34 110.707 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.8 m -69.91 88.1 0.56 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.546 1.139 . . . . 65.24 111.445 -175.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 163.64 -35.03 0.3 Allowed Glycine 0 C--N 1.342 0.909 0 CA-C-N 115.912 -0.585 . . . . 72.32 112.841 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.99 73.65 0.35 Allowed Glycine 0 C--N 1.352 1.46 0 CA-C-N 116.538 0.169 . . . . 72.13 113.147 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.4 mp -94.51 155.41 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 108.334 -0.988 . . . . 63.55 108.334 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.69 146.63 31.0 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.973 -0.455 . . . . 73.01 109.953 174.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.6 -178.77 48.91 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.422 -0.353 . . . . 71.33 112.869 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 14.1 t -79.59 -10.95 59.88 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.63 0.772 . . . . 75.23 111.83 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -35.97 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 123.971 0.909 . . . . 70.21 109.983 171.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.35 -47.59 69.25 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.177 0.991 . . . . 62.15 111.17 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 36.1 mt-10 -70.31 -47.11 62.64 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.255 -0.884 . . . . 73.41 111.533 -173.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.6 t -66.19 -39.86 89.99 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 117.783 0.265 . . . . 74.25 111.383 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.561 HG22 HG23 ' A' ' 96' ' ' VAL . 66.7 t -61.8 -40.36 86.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 N-CA-C 109.767 -0.457 . . . . 73.11 109.767 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.65 -30.9 71.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.434 0.694 . . . . 71.51 111.93 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 64.1 mmt-85 -68.59 -50.18 53.6 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.821 0.448 . . . . 61.41 109.902 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -66.86 -35.82 80.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.163 -0.926 . . . . 71.43 110.894 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -70.77 -40.24 72.74 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.825 0.85 . . . . 75.11 110.38 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.1 -58.16 8.19 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.42 0.45 . . . . 64.02 110.324 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -59.31 -36.15 75.09 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.221 0.608 . . . . 74.31 111.792 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -64.94 -63.88 1.0 Allowed 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.927 -0.397 . . . . 63.33 109.927 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 31.5 m -55.73 -40.33 72.33 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.205 1.002 . . . . 63.12 112.223 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -67.83 -53.03 30.1 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.668 0.787 . . . . 71.04 111.69 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 34' ' ' LEU . 8.8 mp -73.52 -19.8 60.82 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.606 0.362 . . . . 71.31 111.354 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -81.0 -44.69 17.71 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.077 0.951 . . . . 75.41 110.735 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.1 t -70.24 -31.67 69.18 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.654 -0.499 . . . . 72.45 109.654 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.586 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.7 ttt -62.63 -41.93 99.31 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 115.771 -0.65 . . . . 72.23 109.378 172.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.632 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 28.6 ttm -66.14 -45.78 79.8 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 124.036 0.835 . . . . 75.13 112.422 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 32.8 p -61.4 -43.56 98.66 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 121.152 0.501 . . . . 71.04 110.622 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -67.93 -44.2 77.39 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 115.319 -0.855 . . . . 74.43 111.539 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.632 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 2.4 pp -73.38 -18.65 61.14 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 117.776 0.262 . . . . 52.31 111.161 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -76.19 -47.71 23.09 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.01 0.524 . . . . 72.32 109.815 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -65.01 -36.99 86.18 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.749 -0.659 . . . . 72.15 110.888 177.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 48.2 p -64.59 -61.85 1.95 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.673 -0.679 . . . . 73.41 109.371 177.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 61.6 p -50.57 -32.33 18.32 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.683 0.793 . . . . 75.5 112.697 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.3 t -59.95 -62.95 1.49 Allowed 'General case' 0 CA--C 1.546 0.826 0 O-C-N 123.749 0.655 . . . . 54.33 110.869 174.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 456' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 0.9 OUTLIER -71.74 -19.72 62.0 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.664 0.616 . . . . 75.21 112.664 -178.573 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.599 HD23 ' HE2' ' A' ' 48' ' ' MET . 81.6 mt -71.11 -42.23 69.54 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.382 0.673 . . . . 61.13 110.851 176.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.6 t -75.77 -32.73 60.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.209 0.204 . . . . 72.11 110.881 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.3 -52.3 65.87 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 121.217 0.532 . . . . 72.33 109.622 171.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 460' ' ' GLN . . . . . 0.415 HE21 ' HB2' ' A' ' 464' ' ' MET . 24.9 tp60 -61.19 -41.39 96.73 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 114.615 -1.175 . . . . 75.24 111.403 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.88 -48.74 77.69 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.583 0.353 . . . . 74.53 110.678 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 87.2 m -61.51 -37.59 84.27 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 123.853 0.721 . . . . 62.3 111.833 -177.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.98 -46.15 24.97 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 120.997 0.427 . . . . 72.13 112.041 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 464' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.0 ttm -63.91 -34.09 77.17 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.732 0.813 . . . . 71.55 110.869 -177.281 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -81.51 -62.7 1.57 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.346 -0.843 . . . . 60.01 109.623 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 80.96 1.84 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.379 0.609 . . . . 74.01 111.579 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.562 1.418 0 C-N-CA 123.108 0.563 . . . . 54.31 110.54 163.372 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ptt? . . . . . 0 CA--C 1.554 1.116 0 CA-C-O 121.969 0.89 . . . . 73.23 109.664 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p -61.19 -52.25 65.59 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.073 0.949 . . . . 73.43 112.824 -172.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m -67.63 -26.57 66.3 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.907 -0.588 . . . . 62.23 111.078 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 8' ' ' ILE . 58.7 m -78.13 -39.14 42.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.426 0.69 . . . . 75.42 111.663 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.5 p -71.4 -40.03 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 118.243 0.474 . . . . 61.41 110.683 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.07 -37.6 84.28 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 110.575 -0.157 . . . . 72.34 110.575 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.437 ' HB3' ' O ' ' A' ' 4' ' ' THR . 33.6 t80 -50.02 -53.4 27.03 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 123.759 0.823 . . . . 75.43 110.884 168.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.49 HG12 HG23 ' A' ' 60' ' ' ILE . 94.2 mt -57.2 -62.05 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 C-N-CA 124.069 0.948 . . . . 75.43 111.911 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 55.0 m-80 -61.57 -38.11 86.31 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.355 -0.839 . . . . 71.23 112.137 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' HG13 ' A' ' 14' ' ' ILE . 54.1 mtm180 -72.29 -37.55 68.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 118.654 -0.688 . . . . 74.01 111.058 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -61.93 -39.62 92.7 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 118.5 0.591 . . . . 71.34 111.173 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -55.64 -49.12 73.73 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 123.856 0.722 . . . . 74.45 110.377 172.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 56.6 mmt-85 -62.1 -38.94 90.78 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.83 -0.623 . . . . 72.1 111.318 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 10' ' ' ARG . 88.8 mt -61.15 -45.62 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.687 0.795 . . . . 70.2 110.88 -177.331 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.51 76.5 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.066 0.395 . . . . 71.51 112.066 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.14 -48.92 77.98 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.297 0.639 . . . . 72.13 111.098 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.6 mt -66.79 -45.79 77.34 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.275 -0.875 . . . . 74.21 110.533 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.495 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 52.6 p -58.4 -43.68 88.66 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.036 0.835 . . . . 63.51 111.591 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -64.73 -45.51 86.18 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.823 0.702 . . . . 74.02 110.991 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.425 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 60.7 m -60.89 -51.66 68.35 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.417 -0.81 . . . . 74.52 111.292 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.671 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.494 0.317 . . . . 62.21 111.701 -176.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.88 -46.0 91.31 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.257 0.551 . . . . 73.21 109.712 171.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.2 -40.09 94.92 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.616 -1.174 . . . . 73.22 110.6 175.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 32' ' ' LEU . 59.2 mt -69.02 -28.58 66.7 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.297 0.639 . . . . 72.44 111.647 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -71.39 -46.44 60.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.362 0.665 . . . . 63.35 110.99 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -74.44 -22.74 58.98 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 122.773 0.429 . . . . 71.23 111.126 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -74.9 -14.71 60.69 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.836 0.854 . . . . 72.1 111.629 172.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.05 9.06 87.22 Favored Glycine 0 C--N 1.351 1.382 0 O-C-N 123.301 0.376 . . . . 74.33 112.779 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -86.07 79.8 9.04 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.172 0.989 . . . . 52.24 109.052 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -71.62 -32.94 68.52 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.29 -0.868 . . . . 74.41 112.21 -172.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -64.09 -43.7 94.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.195 0.521 . . . . 73.53 110.159 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HB3' HD13 ' A' ' 24' ' ' LEU . 88.3 mt -71.06 -38.77 72.5 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.977 -1.01 . . . . 62.24 110.478 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 21' ' ' LEU . 43.0 tp -54.29 -49.35 69.83 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.278 1.031 . . . . 74.22 110.828 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.513 HD21 HD12 ' A' ' 443' ' ' LEU . 81.4 mt -76.5 -23.85 53.73 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.091 -0.959 . . . . 72.03 111.94 -176.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -69.74 -37.45 76.46 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.906 -0.405 . . . . 71.25 109.906 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 76.6 mm-40 -82.82 -27.57 30.8 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.129 -0.487 . . . . 51.13 110.971 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 30.0 tt0 -45.27 -57.16 4.18 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 125.491 1.517 . . . . 50.32 112.186 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.28 -44.94 93.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 124.143 0.902 . . . . 64.12 111.601 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -62.82 -43.27 99.24 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.46 0.704 . . . . 74.01 110.629 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.495 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 25.2 t80 -64.92 -64.12 0.94 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.946 1.298 . . . . 65.02 112.169 -174.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.71 -38.52 88.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.806 0.843 . . . . 70.24 111.428 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 -64.4 -38.53 91.35 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.123 0.265 . . . . 73.45 110.787 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.455 ' HA ' HG22 ' A' ' 46' ' ' THR . 69.4 m -64.16 -40.56 96.4 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.007 0.523 . . . . 25.13 111.976 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.629 HG23 HD21 ' A' ' 457' ' ' LEU . 84.4 mt -59.31 -50.01 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-O 121.964 0.888 . . . . 63.32 110.102 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.6 -29.26 63.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.285 -0.87 . . . . 75.15 111.238 -175.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 43' ' ' SER . 2.3 t -77.1 -30.84 55.52 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 117.653 0.206 . . . . 65.42 111.497 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.7 m -72.84 -31.7 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 109.644 -0.502 . . . . 73.44 109.644 170.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.0 mmt -79.95 -7.58 58.86 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.044 0.757 . . . . 74.42 113.044 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.6 -30.17 70.86 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 120.901 0.382 . . . . 74.32 110.46 167.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -87.95 -7.32 57.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.626 0.771 . . . . 64.12 111.539 175.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 59.7 30.21 19.79 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.951 0.9 . . . . 62.13 111.372 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.6 m 62.34 100.24 0.04 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.597 1.159 . . . . 70.31 110.451 -173.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.49 ' O ' HG12 ' A' ' 56' ' ' ILE . 32.5 Cg_exo -58.02 122.12 11.17 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 122.928 2.419 . . . . 73.24 111.325 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 36.8 Cg_exo -62.48 -10.04 17.69 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.86 2.374 . . . . 74.52 114.634 -175.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.89 61.17 4.34 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 112.665 -0.174 . . . . 70.02 112.665 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 53' ' ' PRO . 42.0 mm -120.69 114.37 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.417 1.087 . . . . 73.33 108.344 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 t -75.2 166.08 24.19 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.641 -0.503 . . . . 73.53 109.641 173.341 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HA ' ' HB3' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -67.31 -20.82 65.67 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.462 0.541 . . . . 74.43 112.462 -173.204 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 63' ' ' MET . 38.4 t -69.51 -52.41 26.68 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.036 0.534 . . . . 72.31 110.141 176.118 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.49 HG23 HG12 ' A' ' 8' ' ' ILE . 96.7 mt -66.01 -43.3 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.108 0.963 . . . . 61.51 110.069 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 58' ' ' ARG . 32.3 tt0 -49.36 -48.34 46.83 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.753 1.621 . . . . 74.41 111.428 174.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.01 -39.01 72.65 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 123.721 0.638 . . . . 74.52 111.75 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 59' ' ' SER . 43.2 mtm -60.51 -61.82 2.31 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.439 0.637 . . . . 70.15 110.377 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.9 m -62.18 -32.57 55.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-N 114.619 -1.173 . . . . 71.14 112.24 -176.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.73 75.71 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 123.1 0.25 . . . . 73.41 110.55 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.34 -40.87 99.22 Favored Glycine 0 C--N 1.354 1.549 0 N-CA-C 111.748 -0.541 . . . . 75.04 111.748 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.468 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 45.7 m-85 -68.73 -36.68 78.72 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.675 0.62 . . . . 75.34 112.675 177.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 64' ' ' VAL . 59.2 mt -70.7 -38.78 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 108.996 -0.742 . . . . 72.31 108.996 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -46.16 84.82 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.732 0.813 . . . . 64.55 109.601 177.072 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.11 -42.4 93.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.374 -0.83 . . . . 72.34 111.802 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 68' ' ' ILE . 1.9 t -72.22 -32.85 67.12 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.065 0.228 . . . . 63.51 110.93 -175.275 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.83 -44.23 86.2 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.672 0.789 . . . . 61.3 110.393 176.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 12.5 t70 -54.97 -59.16 5.12 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.742 1.276 . . . . 72.45 110.52 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -62.66 -42.61 99.71 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.851 0.719 . . . . 53.31 111.586 -175.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.574 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.6 tt0 -73.05 -24.35 60.69 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.887 0.875 . . . . 63.41 112.088 -175.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -75.72 -34.73 60.35 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.433 0.635 . . . . 72.23 110.376 173.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 83.9 mt -73.42 -29.19 62.41 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.51 -0.768 . . . . 63.22 110.39 175.134 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -67.3 -43.13 82.47 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.209 0.603 . . . . 53.41 109.584 170.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -53.21 -52.36 59.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.56 0.744 . . . . 71.34 110.081 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.24 -52.44 36.16 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 123.535 0.522 . . . . 75.11 113.693 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.94 -50.65 65.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.751 0.82 . . . . 65.15 110.382 -172.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.21 -26.94 64.11 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.013 -0.539 . . . . 73.41 111.146 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -61.76 -41.54 97.82 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 118.422 0.556 . . . . 64.42 110.36 173.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -58.72 -50.73 72.83 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.105 0.878 . . . . 73.23 109.584 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -57.86 -49.24 77.37 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.184 0.927 . . . . 45.21 111.467 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.05 -36.91 83.09 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.811 0.844 . . . . 72.24 112.007 -175.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.26 -41.7 89.54 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.042 0.537 . . . . 52.34 109.642 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 48.7 mt-10 -67.25 -49.02 66.0 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.936 -1.029 . . . . 73.11 110.773 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.93 -35.93 82.29 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.757 0.823 . . . . 74.4 111.323 -178.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -63.84 -44.08 94.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.308 0.643 . . . . 52.32 110.134 176.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 22.8 t -64.73 -39.83 94.3 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.698 -0.683 . . . . 22.43 110.909 177.019 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 80.8 mt -62.81 -55.57 25.17 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.408 0.683 . . . . 74.2 111.3 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.77 -34.65 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 124.039 0.837 . . . . 64.32 110.086 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.19 96.93 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 115.665 -0.698 . . . . 75.43 113.727 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 91' ' ' SER . 11.5 mm100 -79.88 -37.04 35.65 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.948 0.374 . . . . 73.45 111.548 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.33 -36.4 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 112.702 0.63 . . . . 75.53 112.702 -172.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.47 111.96 8.11 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 108.239 -1.022 . . . . 73.44 108.239 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -76.61 96.6 4.19 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.327 -0.99 . . . . 74.34 108.327 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.67 12.52 31.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.144 0.577 . . . . 73.31 111.463 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 162.59 -72.67 0.2 Allowed Glycine 0 C--N 1.34 0.794 0 CA-C-O 119.431 -0.65 . . . . 70.44 111.692 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.17 170.01 20.87 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.763 2.309 . . . . 63.33 112.411 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.5 m 63.27 29.91 15.8 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.514 1.125 . . . . 55.2 111.451 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -156.66 146.78 21.15 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 114.783 -1.099 . . . . 75.14 109.757 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.28 -27.36 69.1 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 123.517 0.51 . . . . 33.34 113.45 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pp -127.24 -172.23 2.61 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.154 0.982 . . . . 64.22 109.807 176.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.6 102.91 18.31 Favored Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 108.814 -0.81 . . . . 64.45 108.814 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -84.81 19.91 1.32 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 123.607 2.872 . . . . 65.54 113.116 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -69.94 106.16 3.09 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.023 -0.732 . . . . 74.31 109.023 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -173.1 102.12 0.17 Allowed Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.039 -0.824 . . . . 71.31 111.039 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.7 m -61.02 95.64 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.459 0.704 . . . . 72.41 110.167 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -174.46 -66.96 0.05 OUTLIER Glycine 0 C--N 1.339 0.719 0 N-CA-C 111.011 -0.836 . . . . 75.11 111.011 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.16 126.42 1.14 Allowed Glycine 0 C--N 1.345 1.042 0 CA-C-O 120.115 -0.27 . . . . 51.35 112.429 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 430' ' ' ASP . 3.6 mp -91.4 159.68 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 107.645 -1.243 . . . . 73.22 107.645 173.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -84.82 138.79 32.36 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.43 -0.581 . . . . 73.12 109.43 171.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.38 173.0 36.9 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 112.294 -0.322 . . . . 54.4 112.294 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 16.3 t -69.65 -13.14 62.16 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.73 0.812 . . . . 51.03 112.033 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -35.59 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.761 0.824 . . . . 73.11 110.285 170.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.4 ' HA ' HD13 ' A' ' 113' ' ' ILE . 16.8 t70 -55.42 -52.76 62.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.715 0.806 . . . . 73.24 111.07 171.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 38.0 mt-10 -66.85 -38.97 87.4 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.615 -1.175 . . . . 73.44 111.112 -173.355 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 6.1 t -70.76 -36.26 73.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 110.199 -0.297 . . . . 64.52 110.199 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.31 -44.52 94.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 C-N-CA 123.021 0.528 . . . . 70.41 109.993 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.82 -47.41 75.16 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.547 0.739 . . . . 75.3 111.701 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 21.2 mmt180 -76.48 -36.41 57.87 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.74 0.416 . . . . 75.21 110.96 -173.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -74.46 -26.13 59.84 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 119.215 -0.422 . . . . 71.21 110.914 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -73.98 -31.02 62.79 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.793 0.437 . . . . 41.21 109.868 171.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.15 69.68 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.033 -0.729 . . . . 60.14 109.033 172.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 25.1 mm-40 -65.78 -38.91 90.31 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.143 -0.48 . . . . 64.5 110.74 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -69.79 -64.37 0.9 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.707 0.403 . . . . 73.0 110.284 -177.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 36.1 m -57.91 -36.48 72.5 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.006 0.922 . . . . 64.43 112.466 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -71.53 -44.07 65.3 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.433 0.293 . . . . 72.32 111.787 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.513 HD12 HD21 ' A' ' 34' ' ' LEU . 10.6 mp -72.68 -19.7 61.37 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.359 0.263 . . . . 74.22 111.1 174.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -82.36 -45.78 14.44 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.275 1.03 . . . . 72.42 110.598 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.0 t -68.51 -31.25 70.37 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.359 -0.608 . . . . 73.14 109.359 175.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.624 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.6 ttt -62.19 -46.84 87.14 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 115.731 -0.668 . . . . 75.15 109.479 170.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.56 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 7.2 ttm -63.33 -44.61 94.42 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.143 0.902 . . . . 74.13 112.517 -176.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 34.2 p -64.27 -40.61 96.33 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.745 0.418 . . . . 73.14 110.423 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -70.6 -41.36 72.4 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.963 -0.562 . . . . 64.23 111.584 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.624 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -75.62 -21.57 57.64 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.15 0.432 . . . . 72.21 110.507 -175.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -71.48 -48.65 47.83 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 108.933 -0.765 . . . . 74.5 108.933 172.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -60.48 -47.99 83.72 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.57 1.169 . . . . 74.02 110.084 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 40.2 p -62.14 -62.01 2.07 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.243 -0.89 . . . . 63.01 109.781 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 85.0 p -51.02 -32.12 20.46 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.665 0.786 . . . . 71.4 112.873 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.8 t -62.11 -61.96 2.11 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.298 0.639 . . . . 73.14 110.755 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -73.18 -20.19 60.94 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.156 0.428 . . . . 72.34 112.156 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.629 HD21 HG23 ' A' ' 44' ' ' ILE . 39.4 mt -73.09 -42.02 63.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.488 0.715 . . . . 55.2 110.621 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.5 t -74.13 -32.98 63.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.194 0.309 . . . . 72.44 110.409 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 97.9 mt-30 -66.7 -46.68 74.78 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.776 0.43 . . . . 62.43 110.85 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.61 -32.47 73.81 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.517 0.727 . . . . 74.43 110.8 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -62.85 -54.9 31.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.415 0.686 . . . . 71.34 109.534 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 30.2 m -65.41 -34.34 78.08 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.105 0.878 . . . . 75.01 111.132 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -78.57 -54.6 5.96 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.712 0.405 . . . . 71.14 111.71 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 47.5 ttp -64.57 -31.49 72.73 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.167 0.187 . . . . 62.23 110.724 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -74.02 -71.52 0.32 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 109.392 -0.595 . . . . 71.45 109.392 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.47 77.71 1.6 Allowed 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 112.384 0.512 . . . . 75.42 112.384 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.483 1.202 0 O-C-N 121.542 -0.724 . . . . 74.32 109.192 166.77 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ptt? . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.867 -0.419 . . . . 54.32 109.867 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.6 p -54.79 -57.46 11.47 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.174 0.989 . . . . 65.03 113.414 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -63.93 -37.21 86.56 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.625 0.77 . . . . 73.35 111.673 -175.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 20.8 m -78.2 -34.76 49.23 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.848 -0.615 . . . . 70.21 111.538 -176.415 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.44 -39.56 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.145 0.43 . . . . 52.21 110.533 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.61 -39.93 94.59 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 109.505 -0.554 . . . . 73.51 109.505 176.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 4' ' ' THR . 74.9 t80 -50.42 -54.24 23.43 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 124.182 0.993 . . . . 75.23 110.876 170.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 60' ' ' ILE . 96.5 mt -56.03 -61.28 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 124.512 1.125 . . . . 74.25 112.202 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 59.0 m-80 -65.94 -36.74 84.19 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.93 -0.577 . . . . 74.34 112.21 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' O ' HG13 ' A' ' 14' ' ' ILE . 49.9 mtm180 -73.34 -41.02 63.97 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 118.893 -0.575 . . . . 65.51 111.256 -177.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 58.3 m95 -60.77 -36.88 80.07 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 118.064 0.393 . . . . 73.13 110.85 173.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.1 tt0 -59.16 -44.3 92.13 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 115.608 -0.723 . . . . 71.55 109.929 174.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 49.6 mmt-85 -62.91 -43.47 98.71 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 123.485 0.49 . . . . 73.44 110.849 176.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.7 mt -58.01 -42.18 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 123.88 0.872 . . . . 73.21 110.92 -176.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.91 -44.13 66.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.016 0.527 . . . . 33.11 112.231 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 98.1 mt -64.35 -45.21 88.79 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.275 0.63 . . . . 71.22 110.855 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.8 mt -67.89 -48.08 67.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.075 0.95 . . . . 72.11 109.981 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.473 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 61.4 p -56.28 -42.85 78.14 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.795 0.684 . . . . 71.42 111.431 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.6 tt0 -60.34 -48.81 80.14 Favored 'General case' 0 C--O 1.245 0.846 0 O-C-N 124.361 1.038 . . . . 74.32 111.194 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 69.1 m -59.95 -60.13 4.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.881 -1.054 . . . . 74.12 111.293 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.631 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.1 pp -68.71 -19.85 64.38 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.78 0.832 . . . . 61.52 112.103 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.61 -55.41 23.91 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.626 -0.509 . . . . 74.43 109.626 170.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.61 -24.63 66.35 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 124.171 0.92 . . . . 73.12 111.519 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 21' ' ' LEU . 84.8 mt -74.13 -44.92 51.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.674 0.79 . . . . 71.11 110.448 175.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -66.16 -35.91 81.71 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.406 0.682 . . . . 74.14 110.88 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 55.4 tt0 -68.26 -39.15 82.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.872 1.269 . . . . 64.1 110.394 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -75.41 -25.94 57.97 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.44 0.696 . . . . 65.11 110.812 177.311 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.76 7.46 55.47 Favored Glycine 0 C--N 1.348 1.232 0 O-C-N 123.633 0.583 . . . . 60.4 113.072 -176.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 6.1 mm-40 -73.78 90.93 1.89 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.565 0.746 . . . . 64.53 109.666 175.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -82.22 -34.37 28.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.238 0.615 . . . . 72.1 112.01 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.85 -43.12 99.49 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.928 0.491 . . . . 72.42 109.803 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.448 ' HB3' HD13 ' A' ' 24' ' ' LEU . 71.4 mt -75.26 -36.17 61.28 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.164 -0.926 . . . . 73.34 111.248 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 21' ' ' LEU . 58.0 tp -56.0 -51.2 68.59 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.147 0.579 . . . . 73.14 110.557 175.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.492 HD21 HD12 ' A' ' 443' ' ' LEU . 64.2 mt -78.97 -19.91 50.5 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.721 -1.127 . . . . 74.52 111.627 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.94 -37.57 75.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.859 0.463 . . . . 72.42 110.534 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 76.3 mm-40 -86.62 -25.84 24.72 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 122.742 0.417 . . . . 71.31 110.932 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -44.44 -57.71 3.4 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 125.809 1.644 . . . . 64.4 112.261 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.2 m -56.59 -49.63 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 114.475 -1.239 . . . . 54.55 111.788 -172.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -67.57 -44.44 78.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.582 0.753 . . . . 75.33 110.915 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.9 t80 -59.26 -60.89 3.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.259 1.423 . . . . 72.33 112.065 -175.205 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.88 -40.9 94.77 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.04 0.838 . . . . 73.11 110.205 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.56 -38.81 82.11 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.158 0.583 . . . . 74.54 111.756 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -65.61 -41.91 92.22 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.321 0.649 . . . . 61.11 111.027 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.509 HG23 HD21 ' A' ' 457' ' ' LEU . 57.9 mt -63.27 -42.57 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 121.884 0.85 . . . . 55.31 110.216 175.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.99 -37.17 85.28 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.943 -1.026 . . . . 63.52 111.795 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 t -84.68 -26.4 27.78 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 112.525 0.565 . . . . 73.33 112.525 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.85 -37.5 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-N 118.709 0.686 . . . . 70.35 109.94 171.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mmt -80.71 -18.25 48.47 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 116.057 -0.52 . . . . 62.11 111.993 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -67.15 -34.43 77.55 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.046 0.938 . . . . 50.13 109.761 170.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -89.2 9.38 25.94 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 114.886 -1.052 . . . . 72.12 110.168 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 71.2 -0.4 3.1 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.123 1.769 . . . . 74.01 112.942 168.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.41 HG23 ' HE1' ' A' ' 7' ' ' PHE . 93.9 m 57.11 90.37 0.09 OUTLIER Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 124.308 1.043 . . . . 65.03 110.324 -167.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.468 ' O ' HG12 ' A' ' 56' ' ' ILE . 53.1 Cg_exo -53.75 130.18 37.75 Favored 'Trans proline' 0 C--N 1.386 2.517 0 C-N-CA 122.99 2.46 . . . . 71.41 111.844 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.61 2.63 7.61 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.203 1.935 . . . . 72.02 113.773 -175.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.82 35.17 4.06 Favored Glycine 0 C--N 1.349 1.296 0 C-N-CA 122.867 0.27 . . . . 43.11 113.14 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 53' ' ' PRO . 36.6 mm -84.57 121.09 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.086 0.954 . . . . 74.05 109.539 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -81.69 174.15 11.65 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 122.897 0.479 . . . . 73.43 110.663 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' A' ' 59' ' ' SER . 7.0 ppt_? -67.47 -34.89 78.1 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.491 0.923 . . . . 72.24 113.491 -165.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.441 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 48.5 t -69.85 -40.11 75.99 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.234 0.54 . . . . 53.13 110.333 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.545 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 74.4 mt -72.35 -39.91 64.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 114.999 -1.001 . . . . 72.21 109.987 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.22 -41.06 96.2 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.919 0.888 . . . . 62.4 110.5 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.61 -48.84 77.67 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.792 0.683 . . . . 72.12 110.899 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.545 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 54.8 mtm -57.2 -53.66 55.56 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 123.689 0.618 . . . . 74.3 110.584 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 68' ' ' ILE . 19.6 m -75.1 -23.8 17.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-N 115.91 -0.586 . . . . 74.44 112.488 -173.156 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.27 81.54 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.34 -0.615 . . . . 62.34 109.34 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.88 97.72 Favored Glycine 0 C--N 1.351 1.394 0 CA-C-N 115.554 -0.748 . . . . 70.43 112.055 171.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.4 m-85 -67.75 -39.06 84.22 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.012 0.525 . . . . 61.05 111.882 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 64' ' ' VAL . 70.3 mt -70.74 -41.37 77.54 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 108.981 -0.748 . . . . 74.43 108.981 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -54.84 -47.79 73.7 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.416 0.686 . . . . 71.33 111.189 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -63.63 -48.26 77.99 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.475 -0.784 . . . . 74.3 110.716 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 68' ' ' ILE . 2.2 t -69.24 -26.91 65.02 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 123.366 0.416 . . . . 74.01 111.128 -175.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 68' ' ' ILE . 60.0 mt -69.36 -46.43 67.01 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 122.714 0.406 . . . . 72.54 110.405 175.64 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.17 -58.35 8.6 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.435 1.084 . . . . 70.1 110.426 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -62.79 -44.86 95.07 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.136 -0.938 . . . . 51.23 111.941 -173.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.594 ' HA ' HD12 ' A' ' 78' ' ' LEU . 42.6 tt0 -76.21 -23.95 54.65 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.546 0.738 . . . . 64.22 112.271 -174.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -73.0 -37.76 66.85 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.038 0.446 . . . . 73.13 110.11 171.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.88 -34.87 79.12 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.679 -0.692 . . . . 54.4 110.348 174.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 75' ' ' GLU . 87.4 mt -65.12 -44.66 88.0 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.158 0.583 . . . . 71.13 110.564 172.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 63.0 tttp -51.03 -54.45 24.56 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.994 0.918 . . . . 61.42 110.609 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.01 -44.08 37.91 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 114.616 0.607 . . . . 51.33 114.616 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.54 -53.62 48.93 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.446 0.698 . . . . 74.21 110.027 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.7 -26.12 66.02 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.602 -0.726 . . . . 63.25 110.993 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 51.9 tt0 -62.48 -44.2 96.96 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 118.476 0.58 . . . . 63.3 110.54 173.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -58.02 -51.2 70.66 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.124 0.89 . . . . 60.3 109.316 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -55.52 -45.42 77.13 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.307 1.004 . . . . 74.21 111.532 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.7 mt -71.7 -34.55 69.72 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.939 0.496 . . . . 71.31 111.519 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.38 -38.52 84.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.135 0.574 . . . . 72.33 110.209 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 40.2 mt-10 -66.22 -55.72 14.85 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.064 -0.971 . . . . 64.23 109.926 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 93' ' ' ILE . 94.0 mt -58.09 -44.79 87.81 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 124.06 0.944 . . . . 74.41 110.607 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.6 t -57.64 -46.85 83.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.787 0.835 . . . . 73.32 111.654 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.8 t -63.84 -36.26 83.32 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.735 -0.666 . . . . 73.22 110.948 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.0 mt -70.0 -43.19 71.9 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.417 0.687 . . . . 74.32 110.982 177.679 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 89' ' ' LEU . 96.4 mt -61.83 -40.39 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.549 1.139 . . . . 74.42 110.124 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.81 -27.1 67.91 Favored Glycine 0 C--N 1.347 1.166 0 O-C-N 123.193 0.308 . . . . 72.3 113.575 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -78.87 -42.9 26.23 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.507 0.723 . . . . 73.4 111.292 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.495 HG23 HG22 ' A' ' 433' ' ' VAL . 16.1 m -101.95 -16.18 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 113.726 1.01 . . . . 74.53 113.726 -168.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.559 ' HG ' HG11 ' A' ' 433' ' ' VAL . 3.4 tt -88.18 115.51 25.72 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 107.727 -1.212 . . . . 75.21 107.727 177.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -113.28 117.76 32.75 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.124 -1.065 . . . . 72.23 108.124 174.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.79 7.04 3.75 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.075 0.95 . . . . 72.24 110.288 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 165.92 -76.7 0.14 Allowed Glycine 0 C--N 1.344 1.016 0 N-CA-C 110.569 -1.013 . . . . 54.15 110.569 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.66 152.65 67.52 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.393 2.728 . . . . 71.21 112.627 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.8 m 62.25 21.34 12.41 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.916 1.286 . . . . 61.34 112.254 -175.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.43 127.93 15.04 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.548 0.739 . . . . 72.32 109.423 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.57 -39.53 93.92 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 123.694 0.621 . . . . 62.31 112.521 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 pp -82.99 178.72 8.02 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.936 0.894 . . . . 75.43 110.992 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.2 t -101.0 99.34 10.31 Favored Pre-proline 0 CA--C 1.557 1.22 0 N-CA-C 108.379 -0.971 . . . . 64.42 108.379 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -97.24 28.6 0.18 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.804 3.003 . . . . 54.1 113.193 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -75.46 81.59 2.51 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.6 0.714 . . . . 72.33 109.942 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.92 60.01 0.52 Allowed Glycine 0 C--N 1.341 0.837 0 N-CA-C 110.69 -0.964 . . . . 73.5 110.69 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 m -69.75 79.73 0.44 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.26 1.024 . . . . 54.44 110.578 -177.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 173.07 -42.28 0.16 Allowed Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.267 -0.878 . . . . 73.4 111.698 -174.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.5 86.64 0.07 OUTLIER Glycine 0 C--N 1.348 1.206 0 N-CA-C 112.455 -0.258 . . . . 62.35 112.455 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' A' ' 430' ' ' ASP . 46.9 mt -72.45 159.25 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.528 0 C-N-CA 123.927 0.891 . . . . 71.15 109.169 173.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.38 158.32 15.51 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.803 -0.561 . . . . 75.32 110.072 176.115 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.48 -179.59 50.47 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 123.098 0.249 . . . . 40.53 113.136 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 24.2 t -72.58 -19.35 61.5 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.823 0.849 . . . . 65.34 111.49 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -45.04 79.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 123.836 0.855 . . . . 72.2 110.549 175.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 430' ' ' ASP . . . . . 0.463 ' HB2' ' HB ' ' A' ' 113' ' ' ILE . 29.2 t70 -55.61 -54.12 48.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.423 0.689 . . . . 74.14 111.284 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 55.6 mt-10 -63.8 -52.61 59.45 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.717 1.26 . . . . 43.25 111.511 -173.003 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.6 t -60.21 -47.64 85.11 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 123.393 0.433 . . . . 74.21 111.183 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.559 HG11 ' HG ' ' A' ' 97' ' ' LEU . 75.3 t -63.88 -44.03 97.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 123.202 0.601 . . . . 63.41 110.577 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -61.92 -31.84 72.19 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.256 0.622 . . . . 63.15 112.053 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 38.6 mmt-85 -72.3 -44.7 62.35 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.542 0.337 . . . . 74.54 110.444 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -64.87 -35.59 81.61 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.198 0.311 . . . . 74.5 110.905 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -73.0 -40.92 64.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.989 0.915 . . . . 71.33 110.562 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.7 72.76 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.866 0.467 . . . . 72.03 110.595 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -60.08 -41.04 91.62 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.073 0.549 . . . . 72.15 111.54 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.31 -55.29 36.66 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.538 0.523 . . . . 74.43 109.983 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.5 m -64.87 -33.38 75.87 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.664 1.186 . . . . 74.24 112.437 -173.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -76.53 -45.41 30.9 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.378 0.671 . . . . 74.52 111.538 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.492 HD12 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -71.4 -19.62 62.24 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 122.665 0.386 . . . . 40.2 110.353 173.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.2 -48.75 19.27 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.359 1.064 . . . . 71.41 111.029 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -68.06 -34.48 76.54 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 109.8 -0.445 . . . . 62.21 109.8 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.591 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -61.25 -44.61 96.97 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.711 0.632 . . . . 72.05 109.589 173.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.615 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 45.6 ttm -66.93 -47.22 72.37 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 124.109 0.88 . . . . 75.43 112.569 -176.565 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 16.3 p -60.99 -41.16 95.93 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 122.949 0.5 . . . . 74.32 110.674 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -70.8 -41.87 71.03 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.385 -0.825 . . . . 53.3 111.348 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.615 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 1.9 pp -74.94 -18.39 60.41 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 118.268 0.486 . . . . 54.41 110.987 -176.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -79.96 -43.77 21.46 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.688 0.795 . . . . 73.15 109.412 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -59.85 -50.15 74.93 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 115.206 -0.906 . . . . 54.01 110.032 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 59.2 p -61.22 -57.96 10.25 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.032 -0.985 . . . . 40.24 110.101 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 81.4 p -50.03 -37.42 32.98 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.835 0.854 . . . . 71.01 112.786 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.9 t -59.56 -60.78 3.29 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 124.143 0.902 . . . . 72.33 111.114 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -75.32 -19.33 59.7 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.647 0.61 . . . . 72.25 112.647 -177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.509 HD21 HG23 ' A' ' 44' ' ' ILE . 47.5 mt -75.11 -42.47 56.46 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.504 0.722 . . . . 61.12 110.496 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.4 t -72.25 -31.33 65.7 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.969 -0.382 . . . . 61.43 109.969 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 64.1 mt-30 -65.93 -44.02 86.36 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.734 0.413 . . . . 62.24 111.051 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -69.8 -28.05 65.4 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.532 0.733 . . . . 64.03 110.802 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -72.56 -48.51 39.52 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.87 0.468 . . . . 64.43 110.167 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 45.5 m -57.37 -42.52 82.25 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.312 1.008 . . . . 70.53 110.082 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.0 -47.85 56.5 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 123.741 0.65 . . . . 62.21 112.404 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 464' ' ' MET . . . . . 0.423 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.6 ttm -66.6 -31.63 72.44 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 122.857 0.463 . . . . 74.04 110.621 -173.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -84.82 -63.84 1.26 Allowed 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.879 -0.601 . . . . 72.55 109.884 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.58 81.74 2.0 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.269 0.628 . . . . 74.13 112.181 174.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.253 1.278 0 O-C-N 121.275 -0.891 . . . . 75.43 110.383 166.803 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 ttp . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.516 -0.92 . . . . 75.24 108.516 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.443 ' HA ' HG12 ' A' ' 5' ' ' VAL . 18.1 p -60.48 -48.85 79.97 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.479 1.112 . . . . 74.45 113.762 -168.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -58.92 -43.86 91.18 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.576 0.703 . . . . 62.14 111.902 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 61.1 m -75.72 -35.62 60.21 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.325 -0.852 . . . . 74.14 111.597 -177.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 2' ' ' THR . 9.8 p -74.79 -39.82 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 122.048 -0.408 . . . . 60.13 110.677 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.43 -36.64 84.55 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 121.478 0.656 . . . . 73.12 109.906 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 4' ' ' THR . 74.8 t80 -53.92 -61.37 2.35 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 114.848 -1.069 . . . . 65.5 110.742 171.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.414 HG12 HG23 ' A' ' 60' ' ' ILE . 94.1 mt -57.96 -55.6 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 124.19 0.996 . . . . 72.5 111.942 -177.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -53.65 -48.31 69.52 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.754 -1.112 . . . . 71.22 112.387 -176.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.482 ' O ' HG13 ' A' ' 14' ' ' ILE . 21.4 mtm180 -80.57 -26.11 38.15 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 118.249 -0.881 . . . . 72.52 111.813 -174.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.441 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 47.0 m95 -66.63 -39.04 88.11 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.146 0.885 . . . . 55.32 110.222 171.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -57.46 -46.13 83.99 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.715 0.635 . . . . 62.5 109.965 171.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -58.82 -45.57 89.65 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.569 -0.741 . . . . 74.42 110.991 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 10' ' ' ARG . 93.2 mt -57.39 -44.13 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.771 0.829 . . . . 64.32 110.748 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.73 -43.1 76.65 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.53 0.567 . . . . 73.11 112.53 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.83 -46.28 82.6 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 116.058 -0.519 . . . . 74.43 111.348 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.5 mt -68.13 -46.15 71.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.953 0.901 . . . . 75.2 109.917 -175.024 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.537 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 48.0 p -58.58 -47.5 84.06 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.759 0.662 . . . . 72.14 111.135 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -57.39 -46.72 83.13 Favored 'General case' 0 C--O 1.243 0.735 0 O-C-N 124.389 1.056 . . . . 74.4 111.758 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.464 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.3 m -61.29 -60.09 4.27 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.505 -0.771 . . . . 72.45 110.391 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.612 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -66.24 -23.21 66.38 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.268 0.627 . . . . 72.11 111.868 -175.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 74' ' ' ASN . 51.6 tp -62.2 -55.98 23.18 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 109.312 -0.625 . . . . 70.53 109.312 173.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.09 -35.3 78.27 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.398 1.061 . . . . 73.3 111.065 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.587 HD13 ' HB3' ' A' ' 32' ' ' LEU . 69.3 mt -65.89 -46.39 78.51 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.505 0.722 . . . . 73.35 110.542 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.54 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -67.21 -34.91 78.5 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.987 0.915 . . . . 64.52 111.935 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.77 -25.45 53.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.477 1.111 . . . . 75.23 110.494 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -77.94 -25.24 48.17 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.656 -0.702 . . . . 74.34 110.456 168.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.16 0.88 47.95 Favored Glycine 0 C--N 1.349 1.279 0 CA-C-N 115.934 -0.575 . . . . 71.41 113.237 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.14 83.27 1.81 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.508 0.723 . . . . 74.14 109.892 171.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.429 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 34.2 m95 -67.03 -35.91 80.93 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 114.951 -1.022 . . . . 73.43 110.707 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -56.69 -46.96 80.88 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.761 0.663 . . . . 62.32 110.963 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.587 ' HB3' HD13 ' A' ' 24' ' ' LEU . 75.2 mt -73.29 -34.73 65.91 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.374 -0.83 . . . . 61.13 111.058 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' A' ' 21' ' ' LEU . 33.7 tp -54.4 -52.83 60.48 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.888 0.875 . . . . 71.42 111.21 171.026 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD21 HD12 ' A' ' 443' ' ' LEU . 65.9 mt -70.64 -28.42 64.81 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.718 1.207 . . . . 54.25 111.444 -174.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -59.89 -45.34 92.8 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.417 0.627 . . . . 74.4 109.77 172.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 89.7 mm-40 -87.57 -14.16 40.93 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.871 -1.059 . . . . 72.33 111.942 -176.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.83 -57.77 9.1 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.551 1.14 . . . . 73.41 110.929 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 m -58.58 -41.38 81.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-N 114.223 -1.353 . . . . 74.43 111.422 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -64.19 -45.15 89.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.558 0.743 . . . . 61.33 110.568 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 17.8 t80 -67.35 -60.62 2.43 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.505 -1.225 . . . . 62.53 111.466 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.46 -39.06 86.2 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.883 0.739 . . . . 74.55 110.72 -177.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -62.89 -40.23 96.89 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.279 0.632 . . . . 65.34 111.369 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -62.1 -40.16 94.92 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.64 0.376 . . . . 75.32 111.262 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG23 HD21 ' A' ' 457' ' ' LEU . 57.2 mt -64.78 -42.33 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 121.229 0.538 . . . . 64.05 110.256 174.622 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.9 -46.19 88.97 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.633 -0.712 . . . . 71.31 111.277 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -72.69 -33.45 66.52 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 112.346 0.499 . . . . 73.05 112.346 -173.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.68 -33.17 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-N 118.328 0.513 . . . . 74.12 110.707 173.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.4 mmt -81.58 -20.34 40.07 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.486 0.55 . . . . 74.04 112.486 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -77.21 -31.07 54.99 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.011 0.524 . . . . 73.41 110.533 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -84.82 -5.39 59.33 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 115.807 -0.633 . . . . 72.34 109.821 171.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 65.34 14.0 9.16 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.808 1.643 . . . . 73.03 113.387 167.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.407 HG23 ' CE1' ' A' ' 7' ' ' PHE . 71.0 m 64.59 113.63 0.03 OUTLIER Pre-proline 0 CA--C 1.561 1.395 0 C-N-CA 124.403 1.081 . . . . 63.55 110.816 -170.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HG2' HD11 ' A' ' 56' ' ' ILE . 33.3 Cg_endo -63.12 146.62 94.42 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.572 2.182 . . . . 75.41 111.771 173.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 10.5 Cg_exo -72.91 -15.28 26.44 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.98 2.453 . . . . 72.21 113.209 177.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.51 59.77 4.89 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 123.008 0.337 . . . . 73.43 112.894 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.491 HD11 ' HG2' ' A' ' 53' ' ' PRO . 43.9 mm -118.77 109.78 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.438 1.095 . . . . 64.12 108.82 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.4 t -76.39 172.5 12.82 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.331 0.653 . . . . 73.32 110.47 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -27.29 66.24 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.527 0.731 . . . . 72.04 112.141 -171.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 63' ' ' MET . 34.8 t -71.15 -47.12 59.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.22 0.608 . . . . 72.11 109.807 178.419 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.616 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 89.7 mt -64.19 -42.99 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 115.604 -0.725 . . . . 53.42 110.2 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -51.36 -50.9 58.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.591 1.157 . . . . 75.35 110.748 173.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.06 -43.92 94.02 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.487 -0.779 . . . . 65.42 111.346 -176.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.616 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 35.1 mtm -60.36 -59.79 4.85 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.455 0.472 . . . . 75.05 110.159 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 68' ' ' ILE . 29.9 m -64.99 -37.59 80.65 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-N 115.451 -0.795 . . . . 70.53 111.667 -173.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.14 -32.17 73.72 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 118.07 0.395 . . . . 74.2 110.645 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.74 -45.89 94.81 Favored Glycine 0 C--N 1.347 1.148 0 N-CA-C 111.556 -0.618 . . . . 74.22 111.556 170.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.448 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 37.5 m-85 -64.47 -33.48 75.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.998 0.519 . . . . 73.45 111.717 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 64' ' ' VAL . 73.2 mt -69.52 -44.25 79.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 108.722 -0.844 . . . . 71.02 108.722 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.3 -40.4 94.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.126 0.57 . . . . 73.5 110.773 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 77.3 mt-30 -62.66 -49.63 74.37 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.858 -0.61 . . . . 73.24 110.529 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -68.75 -30.07 68.6 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.244 -0.889 . . . . 62.14 111.021 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.23 -39.63 82.28 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.875 0.87 . . . . 53.25 110.757 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.72 -50.9 69.29 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.887 0.742 . . . . 52.14 109.95 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' HA ' HD22 ' A' ' 22' ' ' LEU . 66.0 m-20 -62.46 -45.36 93.42 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.864 -1.062 . . . . 73.11 110.726 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.5 tt0 -77.54 -20.73 53.7 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.22 1.008 . . . . 74.53 111.75 -176.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.48 -41.07 76.66 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.222 0.609 . . . . 64.34 109.59 171.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.7 -37.14 76.49 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.966 -1.016 . . . . 74.24 110.6 175.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -63.28 -39.41 94.51 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.008 0.523 . . . . 62.54 110.095 174.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -57.39 -56.04 26.98 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.418 0.687 . . . . 71.23 109.962 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.7 -57.29 12.89 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-N 115.638 -0.71 . . . . 64.21 112.913 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.86 -58.63 7.29 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.909 1.283 . . . . 55.03 111.005 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 79.5 mt -65.88 -36.01 82.24 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 119.022 -0.513 . . . . 71.21 111.462 -174.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.62 -39.23 93.35 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 118.337 0.517 . . . . 64.53 111.188 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.67 -47.62 85.45 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.012 -0.54 . . . . 74.54 110.038 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -57.23 -46.14 83.23 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 123.659 0.783 . . . . 74.41 111.193 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 92.5 mt -66.66 -32.29 73.52 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.661 0.785 . . . . 71.52 111.418 -178.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.62 -47.44 69.64 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.482 0.658 . . . . 72.13 110.011 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 39.7 mt-10 -65.2 -44.14 89.33 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.525 -1.216 . . . . 73.05 110.448 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.449 ' O ' HG13 ' A' ' 93' ' ' ILE . 83.4 mt -64.49 -39.8 94.48 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.508 0.723 . . . . 61.23 110.781 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -63.77 -39.2 93.68 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.322 0.649 . . . . 64.03 110.6 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 t -67.41 -37.18 82.68 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.174 -0.921 . . . . 71.11 110.679 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 97.9 mt -66.66 -42.53 86.47 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.242 0.617 . . . . 74.52 110.634 177.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 89' ' ' LEU . 84.3 mt -64.61 -37.44 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 123.874 0.87 . . . . 71.33 109.999 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.72 -20.5 66.29 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 116.023 -0.535 . . . . 52.55 113.793 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -98.15 -41.43 7.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.068 0.947 . . . . 70.52 111.367 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.476 HG23 HG22 ' A' ' 433' ' ' VAL . 35.1 m -83.53 -33.04 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 122.918 0.487 . . . . 53.21 111.731 -172.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 99' ' ' GLN . 1.6 tt -99.03 111.83 24.12 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.128 -1.064 . . . . 71.11 108.128 177.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -95.84 85.26 4.05 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.31 -0.996 . . . . 65.31 108.31 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.415 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.97 -5.94 59.28 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 115.435 -0.802 . . . . 64.41 112.682 -172.549 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.4 -64.03 0.04 OUTLIER Glycine 0 CA--C 1.532 1.113 0 N-CA-C 111.692 -0.563 . . . . 70.14 111.692 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.59 146.96 85.86 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.422 2.081 . . . . 74.22 111.873 174.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m 64.0 18.91 11.5 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.582 1.153 . . . . 44.34 112.712 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -126.17 127.77 46.23 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.091 0.956 . . . . 61.32 109.633 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.13 -19.8 75.94 Favored Glycine 0 N--CA 1.478 1.489 0 C-N-CA 122.911 0.291 . . . . 64.11 113.021 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.1 pp -125.01 171.97 9.81 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.495 1.118 . . . . 71.24 109.547 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 72.2 t -95.96 103.07 12.08 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 107.927 -1.138 . . . . 73.04 107.927 175.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -96.28 38.44 0.13 Allowed 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 123.5 2.8 . . . . 60.4 112.274 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -69.11 93.32 0.59 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.294 0.638 . . . . 64.44 110.153 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -125.81 122.21 4.44 Favored Glycine 0 C--N 1.343 0.948 0 N-CA-C 111.001 -0.84 . . . . 73.11 111.001 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.3 p -91.39 28.62 1.64 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.446 0.698 . . . . 60.53 112.199 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.15 -90.51 0.1 OUTLIER Glycine 0 C--N 1.342 0.878 0 N-CA-C 111.472 -0.651 . . . . 55.1 111.472 175.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.43 136.33 13.24 Favored Glycine 0 C--N 1.345 1.031 0 N-CA-C 112.43 -0.268 . . . . 55.35 112.43 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.3 mt -95.18 156.47 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 124.135 0.974 . . . . 74.54 108.498 169.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -76.05 137.12 39.99 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.412 0.685 . . . . 64.11 110.486 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.39 -179.79 40.66 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 114.061 0.385 . . . . 43.13 114.061 173.675 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 22.5 t -72.63 -18.24 61.6 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.967 0.907 . . . . 74.33 111.283 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -35.5 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.564 -0.744 . . . . 74.24 110.073 172.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.9 -51.43 63.72 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.341 0.657 . . . . 72.21 111.399 173.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 39.6 mt-10 -62.5 -51.73 66.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.821 0.848 . . . . 72.35 111.2 -173.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.1 t -67.07 -40.31 87.0 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.399 0.437 . . . . 74.04 111.252 -177.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.497 ' HA ' ' HD2' ' A' ' 436' ' ' TYR . 79.3 t -69.17 -31.19 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 122.359 0.263 . . . . 71.31 110.472 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.38 60.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 119.143 -0.456 . . . . 74.45 111.033 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 28.7 mmt180 -72.38 -40.99 66.83 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.974 0.509 . . . . 75.33 110.059 172.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' TYR . . . . . 0.497 ' HD2' ' HA ' ' A' ' 433' ' ' VAL . 50.5 m-85 -62.23 -51.51 67.45 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.978 -0.379 . . . . 72.12 109.978 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -65.33 -30.81 71.69 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.854 1.346 . . . . 74.41 111.153 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.79 -61.63 1.96 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.266 -0.642 . . . . 72.04 109.266 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -63.69 -28.41 69.88 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.722 0.409 . . . . 72.34 111.204 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -65.37 -63.57 1.07 Allowed 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 115.668 -0.696 . . . . 73.42 109.54 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 34.2 m -67.93 -32.93 73.73 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.994 0.918 . . . . 74.02 112.33 -171.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -66.09 -53.61 35.94 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.061 0.945 . . . . 75.25 111.041 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.518 HD12 HD21 ' A' ' 34' ' ' LEU . 7.4 mp -71.35 -18.39 62.38 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.207 -0.452 . . . . 73.01 110.661 177.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.2 -46.23 23.97 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.235 1.014 . . . . 50.05 111.242 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.9 t -66.44 -37.8 85.98 Favored 'General case' 0 C--O 1.247 0.939 0 N-CA-C 108.7 -0.852 . . . . 71.52 108.7 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.645 ' HG2' HD23 ' A' ' 450' ' ' LEU . 24.9 ttt -63.35 -42.84 98.93 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 115.888 -0.597 . . . . 75.44 110.115 173.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -53.79 54.32 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.945 0.898 . . . . 54.44 111.449 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 31.8 p -61.17 -40.73 94.97 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 123.998 0.811 . . . . 71.31 111.091 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -72.36 -40.77 67.09 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 116.024 -0.535 . . . . 75.35 111.522 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.645 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -74.25 -25.01 59.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 109.987 -0.375 . . . . 74.35 109.987 -175.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -73.54 -46.11 49.54 Favored 'General case' 0 C--O 1.246 0.873 0 C-N-CA 123.367 0.667 . . . . 75.44 109.458 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.78 -46.82 88.01 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.042 -0.981 . . . . 73.14 110.536 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 41.6 p -62.15 -62.6 1.66 Allowed 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 118.466 -0.778 . . . . 74.13 110.133 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 77.8 p -52.58 -31.05 34.24 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.34 0.656 . . . . 62.1 112.521 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.421 ' O ' HG22 ' A' ' 458' ' ' THR . 35.3 t -59.66 -64.99 0.75 Allowed 'General case' 0 CA--C 1.554 1.097 0 O-C-N 123.495 0.497 . . . . 64.01 110.831 173.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -72.76 -19.4 61.37 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.366 0.506 . . . . 73.44 112.366 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.411 HD21 HG23 ' A' ' 44' ' ' ILE . 49.0 mt -76.66 -36.34 57.4 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.816 0.846 . . . . 73.23 110.788 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 455' ' ' SER . 5.2 t -73.27 -33.03 65.02 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.337 -0.616 . . . . 73.03 109.337 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -66.79 -37.74 85.16 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 123.419 0.45 . . . . 64.23 110.741 169.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -65.94 -40.35 91.3 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.688 0.795 . . . . 51.2 110.699 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -62.0 -53.1 60.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.538 0.735 . . . . 75.31 110.042 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 16.5 m -63.16 -36.09 82.46 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.085 -0.961 . . . . 71.31 111.838 -176.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -77.15 -52.61 8.98 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.913 0.485 . . . . 73.44 111.097 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.6 ttm -61.37 -34.55 75.5 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.756 -0.657 . . . . 73.21 110.677 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -76.58 -66.14 0.85 Allowed 'General case' 0 CA--C 1.553 1.083 0 O-C-N 123.922 0.764 . . . . 74.41 109.237 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.39 82.97 2.07 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.803 0.841 . . . . 72.41 112.321 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 CA--C 1.561 1.392 0 CA-C-O 118.551 -0.738 . . . . 72.33 110.361 162.523 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 CA--C 1.553 1.061 0 CA-C-O 121.474 0.654 . . . . 61.21 110.116 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.8 p -67.53 -43.02 81.78 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.085 0.954 . . . . 70.43 111.869 -175.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -62.57 -38.54 90.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.65 0.78 . . . . 74.1 111.253 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 27.7 m -73.34 -42.11 62.66 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.524 -0.762 . . . . 54.21 111.606 -177.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 p -69.62 -38.92 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 110.449 -0.204 . . . . 65.32 110.449 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.2 -35.91 78.73 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 120.591 0.234 . . . . 75.3 110.433 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CD1' ' HD2' ' A' ' 53' ' ' PRO . 35.8 t80 -52.4 -58.69 5.92 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.085 0.954 . . . . 75.32 110.304 170.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.47 HD11 HD13 ' A' ' 60' ' ' ILE . 89.9 mt -57.36 -53.62 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 124.7 1.2 . . . . 72.41 111.835 -177.036 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -61.78 -44.33 97.09 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.009 -0.996 . . . . 75.32 111.66 -173.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 14' ' ' ILE . 78.0 mtm180 -78.7 -26.3 44.86 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.294 -0.412 . . . . 74.54 111.632 -177.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.48 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 35.2 m95 -67.12 -36.46 81.94 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 118.112 0.415 . . . . 71.22 110.191 169.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.68 -39.89 93.02 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.612 0.57 . . . . 61.51 109.796 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -57.84 -55.73 31.07 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.747 -0.66 . . . . 74.13 109.766 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 10' ' ' ARG . 97.3 mt -52.05 -48.22 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 124.331 1.052 . . . . 60.31 111.811 -176.422 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.0 -50.89 60.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.462 0.705 . . . . 65.43 112.214 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.16 -33.97 70.52 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.044 -0.525 . . . . 61.45 111.792 -175.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 85.0 mt -68.91 -53.12 22.79 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 118.803 -0.618 . . . . 73.54 109.722 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.0 p -54.55 -42.5 71.01 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 123.997 0.811 . . . . 72.21 111.259 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -56.97 -55.17 38.09 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.447 1.092 . . . . 73.32 111.487 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -63.28 -52.02 63.72 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.547 -0.751 . . . . 64.23 111.983 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.625 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -69.82 -25.72 63.89 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.355 0.662 . . . . 64.44 111.325 -175.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 74' ' ' ASN . 60.7 tp -61.05 -49.83 75.79 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.192 -0.669 . . . . 74.32 109.192 171.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.02 -43.79 86.94 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 124.183 0.927 . . . . 64.42 110.472 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 32' ' ' LEU . 71.0 mt -64.11 -34.11 77.3 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.06 0.944 . . . . 61.45 111.458 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -70.53 -40.01 73.69 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.54 0.736 . . . . 72.35 111.03 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -68.29 -33.92 75.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.737 0.815 . . . . 64.24 110.654 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -76.03 -26.34 56.53 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.409 1.084 . . . . 74.12 110.58 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.14 -3.06 55.03 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.62 0.575 . . . . 75.23 113.524 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.14 90.4 1.56 Allowed 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 117.518 0.659 . . . . 54.14 110.19 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -75.28 -33.04 61.21 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.849 -1.069 . . . . 72.03 111.022 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -60.05 -47.29 86.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.056 0.542 . . . . 71.23 110.632 175.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HB3' HD13 ' A' ' 24' ' ' LEU . 75.7 mt -72.22 -34.18 68.13 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.221 -0.899 . . . . 73.34 110.881 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.2 tp -56.64 -50.75 71.12 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.791 0.837 . . . . 73.44 110.885 173.33 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.38 -26.76 62.92 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.579 1.152 . . . . 73.41 111.759 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.76 -42.37 95.18 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.115 0.566 . . . . 73.2 110.235 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 63.0 mm-40 -83.33 -25.69 31.24 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.201 -0.454 . . . . 71.52 110.858 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -50.04 -57.05 8.41 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.209 1.403 . . . . 61.24 111.982 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.4 m -55.82 -46.32 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.963 -1.017 . . . . 73.44 111.857 -170.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 p -73.93 -35.45 64.59 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.461 0.704 . . . . 75.44 110.565 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.3 t80 -62.51 -62.9 1.43 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.191 0.997 . . . . 72.31 111.701 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.72 -37.85 85.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.706 0.802 . . . . 71.32 110.709 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.0 tm0? -56.84 -48.26 78.44 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.492 0.495 . . . . 75.45 110.318 174.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.424 ' HA ' HG22 ' A' ' 46' ' ' THR . 73.6 m -61.94 -36.32 81.03 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.661 0.601 . . . . 63.33 111.6 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.531 HG23 HD21 ' A' ' 457' ' ' LEU . 65.1 mt -64.64 -52.03 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 123.576 0.547 . . . . 74.24 110.021 175.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -58.99 -40.24 84.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.953 0.901 . . . . 75.33 111.639 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.424 HG22 ' HA ' ' A' ' 43' ' ' SER . 12.4 t -79.89 -32.01 40.27 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.002 0.371 . . . . 61.12 112.002 -172.556 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.8 m -71.48 -25.39 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 118.825 0.739 . . . . 75.1 109.807 170.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 mmt -81.26 -14.83 57.02 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.685 0.794 . . . . 72.41 111.783 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.51 -30.91 67.8 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 117.946 0.339 . . . . 75.15 110.538 167.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -82.31 -21.67 36.0 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.945 0.498 . . . . 74.11 110.75 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 60.64 33.15 20.38 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.272 1.029 . . . . 75.33 111.303 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.6 m 66.08 105.71 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 124.776 1.23 . . . . 62.13 110.356 -171.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 76.1 Cg_exo -48.42 142.65 16.94 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.327 2.685 . . . . 74.4 113.814 169.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 15.0 Cg_exo -70.79 -24.29 25.11 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.836 2.357 . . . . 70.13 112.625 174.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.73 58.37 4.9 Favored Glycine 0 C--N 1.35 1.316 0 O-C-N 123.431 0.457 . . . . 40.23 113.053 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.3 mm -116.9 116.11 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 107.425 -1.324 . . . . 72.04 107.425 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.1 t -79.09 175.39 10.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.909 0.483 . . . . 54.44 110.273 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -29.69 70.18 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.42 0.688 . . . . 74.3 111.315 -176.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 63' ' ' MET . 35.6 t -72.57 -47.03 51.35 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.954 0.501 . . . . 54.43 110.196 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.477 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 83.7 mt -67.86 -36.47 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.525 0.73 . . . . 62.45 110.774 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.71 -43.81 97.83 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.683 0.793 . . . . 74.11 110.012 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.49 -45.8 92.69 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 124.023 0.827 . . . . 75.33 110.851 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.477 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 31.8 mtm -55.88 -65.85 0.53 Allowed 'General case' 0 C--N 1.361 1.074 0 O-C-N 123.977 0.798 . . . . 73.41 109.316 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.0 m -67.61 -21.4 27.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 124.103 0.877 . . . . 71.43 112.753 -172.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.88 87.1 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.058 -0.719 . . . . 75.45 109.058 168.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.96 -43.22 99.22 Favored Glycine 0 CA--C 1.539 1.538 0 CA-C-N 115.204 -0.907 . . . . 70.42 113.778 170.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -60.2 -48.06 83.34 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 117.502 0.651 . . . . 75.22 110.916 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 64' ' ' VAL . 34.9 mt -68.49 -40.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 115.433 -0.803 . . . . 64.01 109.171 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -59.71 -39.17 83.77 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.877 0.471 . . . . 64.12 111.201 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.71 -55.69 31.2 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.166 0.586 . . . . 61.33 109.778 172.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -65.89 -27.62 68.34 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.234 -0.893 . . . . 72.52 111.94 -171.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' ILE . 82.4 mt -70.78 -46.7 62.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.547 0.739 . . . . 70.55 110.429 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.82 -51.74 66.44 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.47 1.106 . . . . 64.04 110.486 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.549 ' HA ' HD22 ' A' ' 22' ' ' LEU . 10.0 m120 -68.71 -42.61 77.47 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.474 -1.239 . . . . 51.2 111.526 -173.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.8 tt0 -76.44 -23.08 53.91 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.636 0.774 . . . . 54.13 111.49 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 47.3 tt0 -65.74 -44.79 84.91 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.639 0.776 . . . . 45.03 109.714 169.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.09 -27.0 62.37 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.216 -0.902 . . . . 73.4 111.216 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 75' ' ' GLU . 98.3 mt -66.79 -43.12 84.77 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 109.545 -0.539 . . . . 61.31 109.545 170.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -56.91 -51.3 69.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.789 -0.641 . . . . 72.54 110.574 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.24 -55.63 20.24 Favored Glycine 0 CA--C 1.534 1.254 0 O-C-N 123.372 0.42 . . . . 24.1 113.38 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.73 -53.75 46.24 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.956 0.902 . . . . 64.51 111.085 -173.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.79 -28.74 67.85 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 118.695 -0.669 . . . . 71.54 111.092 -177.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -61.86 -42.65 99.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 118.724 0.693 . . . . 55.13 110.433 173.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.99 -47.44 85.81 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.898 0.749 . . . . 54.43 110.349 175.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 8.1 mmp_? -59.03 -49.44 77.87 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.18 0.592 . . . . 74.51 111.199 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 443' ' ' LEU . 96.0 mt -66.85 -33.61 75.97 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.444 1.098 . . . . 64.33 112.115 -177.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.62 -46.37 88.59 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.963 0.789 . . . . 74.45 109.47 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 43.9 mt-10 -70.54 -41.25 72.75 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.732 -1.122 . . . . 72.03 111.008 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.02 -38.73 92.38 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.358 0.663 . . . . 71.45 110.389 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.1 t -66.97 -35.79 80.75 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.351 0.66 . . . . 63.5 110.281 175.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t -68.9 -31.91 71.16 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.155 0.582 . . . . 73.32 110.526 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 53.8 mt -70.52 -50.07 41.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.098 0.559 . . . . 63.15 109.932 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.5 mt -62.45 -34.87 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 124.416 1.086 . . . . 63.03 110.522 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.22 -18.17 66.85 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 115.875 -0.602 . . . . 70.33 113.568 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -101.03 -53.57 3.01 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.51 0.724 . . . . 73.03 110.495 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 433' ' ' VAL . 23.8 m -73.1 -31.95 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.229 0.612 . . . . 75.32 112.058 -170.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 tt -97.72 111.05 23.49 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.651 -1.241 . . . . 72.22 107.651 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -88.46 91.2 8.71 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.441 -1.318 . . . . 74.1 107.441 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -76.9 -10.49 59.4 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.535 -0.757 . . . . 73.22 112.531 -172.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -164.23 -76.56 0.03 OUTLIER Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.448 -0.661 . . . . 73.21 111.448 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.71 168.77 23.96 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 122.895 2.397 . . . . 73.41 112.8 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.9 m 67.25 18.49 10.31 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.13 1.372 . . . . 53.21 112.539 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -125.14 127.93 47.61 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.875 0.87 . . . . 63.42 109.039 176.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -73.49 -7.43 73.41 Favored Glycine 0 C--N 1.347 1.177 0 O-C-N 123.483 0.49 . . . . 71.34 113.195 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pp -116.01 -173.47 2.36 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.481 1.112 . . . . 64.21 110.258 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.4 t -93.99 100.41 4.78 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.203 -1.036 . . . . 61.35 108.203 171.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -82.69 -3.52 11.28 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.895 2.396 . . . . 75.03 112.47 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -79.16 76.91 5.68 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.606 -0.887 . . . . 72.44 108.606 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -143.18 67.26 0.45 Allowed Glycine 0 C--N 1.34 0.754 0 N-CA-C 109.644 -1.382 . . . . 72.52 109.644 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.2 m -61.26 114.23 3.05 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.533 1.133 . . . . 74.25 112.245 -169.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 175.35 -51.05 0.13 Allowed Glycine 0 C--N 1.34 0.78 0 N-CA-C 111.616 -0.593 . . . . 51.55 111.616 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.7 121.34 0.61 Allowed Glycine 0 C--N 1.343 0.954 0 N-CA-C 111.555 -0.618 . . . . 51.15 111.555 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.452 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.0 mp -80.17 148.45 5.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 108.616 -0.883 . . . . 71.15 108.616 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.76 133.25 40.76 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 122.07 -0.394 . . . . 74.51 110.147 174.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.92 178.44 30.6 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 116.332 -0.394 . . . . 64.22 113.022 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 30.5 t -72.5 -14.45 61.66 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.347 1.059 . . . . 54.42 112.027 -176.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.424 HD12 HG21 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -53.97 -41.92 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.534 0.733 . . . . 70.51 110.446 172.596 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.77 -43.0 94.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.242 0.617 . . . . 72.55 111.322 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 40.3 mt-10 -62.51 -56.44 18.01 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.252 0.97 . . . . 74.35 110.729 -176.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 10.1 t -61.94 -43.96 97.75 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.812 0.695 . . . . 70.33 111.217 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.441 HG22 HG23 ' A' ' 96' ' ' VAL . 43.0 t -59.06 -43.4 89.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 122.849 0.46 . . . . 74.41 109.872 176.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.37 -30.66 71.7 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.248 0.619 . . . . 63.5 111.886 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 15.3 mmt180 -69.96 -51.95 28.41 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.579 0.352 . . . . 75.03 110.051 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -73.75 -25.31 60.1 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 116.138 -0.483 . . . . 72.43 111.597 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -74.9 -39.42 61.46 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.842 0.857 . . . . 60.53 110.16 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.52 -53.24 51.12 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 123.517 0.51 . . . . 70.34 109.67 175.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -54.13 -41.84 68.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.762 0.825 . . . . 74.45 111.803 177.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -60.22 -62.84 1.57 Allowed 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.167 -0.924 . . . . 74.01 109.956 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 91.4 m -62.02 -33.67 74.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.903 0.881 . . . . 72.32 112.882 -172.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -69.82 -51.7 31.39 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.876 0.87 . . . . 64.32 111.178 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.408 ' HB2' HD21 ' A' ' 86' ' ' LEU . 8.4 mp -74.3 -18.9 60.65 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 116.564 -0.289 . . . . 70.11 110.515 177.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -76.03 -46.82 27.41 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.22 1.008 . . . . 53.54 110.783 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.2 t -67.67 -33.24 74.54 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 109.666 -0.494 . . . . 65.5 109.666 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.588 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.5 ttt -60.61 -45.12 95.2 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.929 0.768 . . . . 72.12 109.495 171.534 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.508 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 2.5 ttm -65.14 -47.53 76.76 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.192 0.932 . . . . 72.31 112.361 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 25.0 p -63.33 -42.1 98.93 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 123.126 0.57 . . . . 51.21 110.88 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.62 -43.68 72.21 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 115.509 -0.769 . . . . 73.35 111.104 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.588 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.3 pp -71.52 -22.95 61.71 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 123.036 0.21 . . . . 73.41 110.579 -175.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -70.81 -49.81 42.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.597 0.759 . . . . 74.43 109.035 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -58.21 -47.46 83.41 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 114.911 -1.041 . . . . 73.33 110.903 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 56.2 p -65.07 -60.34 3.14 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 118.252 -0.88 . . . . 71.25 110.026 -176.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.9 p -50.94 -36.09 36.77 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 123.666 0.786 . . . . 71.4 112.542 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.1 t -57.35 -63.7 1.14 Allowed 'General case' 0 CA--C 1.553 1.071 0 O-C-N 124.004 0.815 . . . . 62.12 111.032 173.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -73.05 -20.39 60.99 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 112.744 0.646 . . . . 71.2 112.744 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 44' ' ' ILE . 54.5 mt -73.79 -39.55 64.05 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.971 0.908 . . . . 41.55 110.178 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.0 t -75.8 -33.2 60.11 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 110.175 -0.306 . . . . 74.42 110.175 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -68.61 -37.91 80.16 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.963 -0.562 . . . . 72.34 110.315 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -71.14 -37.83 72.25 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.979 0.512 . . . . 71.15 110.827 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 461' ' ' PHE . . . . . 0.41 ' HB2' HG21 ' A' ' 68' ' ' ILE . 20.0 t80 -63.27 -53.87 46.17 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.105 0.562 . . . . 74.32 109.99 177.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 85.5 m -59.43 -43.61 93.06 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 124.323 1.014 . . . . 62.51 110.528 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.89 -52.1 61.5 Favored 'General case' 0 C--O 1.245 0.819 0 O-C-N 123.483 0.489 . . . . 53.21 111.284 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 48.3 ttm -61.42 -30.81 70.8 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.123 0.969 . . . . 72.04 111.179 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -88.64 -77.32 0.37 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 108.825 -0.806 . . . . 74.33 108.825 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.21 77.98 1.68 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 123.683 0.793 . . . . 61.53 111.385 175.675 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.487 1.416 0 O-C-N 121.781 -0.575 . . . . 60.35 110.814 171.371 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 121.323 0.582 . . . . 72.41 109.845 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.7 p -63.74 -46.29 85.99 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.309 0.644 . . . . 71.15 112.561 -172.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m -61.68 -41.7 97.93 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.705 0.628 . . . . 61.35 111.449 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.452 HG23 HD13 ' A' ' 56' ' ' ILE . 58.7 m -70.44 -42.21 71.86 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.587 -0.733 . . . . 65.4 111.297 -177.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.444 ' HA ' HD12 ' A' ' 8' ' ' ILE . 9.9 p -75.58 -35.24 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 117.506 0.139 . . . . 73.34 111.251 -174.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.29 -34.0 74.05 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.906 -0.405 . . . . 72.04 109.906 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.25 -44.35 92.39 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.19 0.996 . . . . 74.53 110.434 172.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 4' ' ' THR . 95.2 mt -59.95 -57.25 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 124.66 1.184 . . . . 53.21 111.409 177.035 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 59.6 m-80 -59.73 -41.58 91.22 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.54 0.736 . . . . 63.5 111.484 -176.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.633 HH22 ' HD2' ' A' ' 50' ' ' LYS . 22.4 mtm180 -71.73 -31.35 66.61 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 118.956 -0.545 . . . . 73.42 111.695 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.465 ' HH2' HD22 ' A' ' 457' ' ' LEU . 22.0 m95 -66.75 -38.02 85.8 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.288 0.494 . . . . 74.42 111.243 173.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -56.85 -44.7 82.42 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.504 0.502 . . . . 70.05 110.22 170.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.2 mmt180 -58.65 -53.26 60.32 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.683 0.614 . . . . 74.32 110.076 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.6 mt -56.21 -43.55 76.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 124.617 1.167 . . . . 75.22 111.643 -174.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.53 70.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.258 0.623 . . . . 65.32 112.105 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.69 -35.3 77.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.054 -0.521 . . . . 65.04 110.506 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 78.6 mt -65.79 -55.33 17.77 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.645 0.778 . . . . 75.52 110.301 176.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.1 p -53.73 -44.26 69.75 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.311 1.007 . . . . 72.31 111.265 -176.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -63.59 -47.74 80.23 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 124.384 1.053 . . . . 64.02 111.407 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -65.8 -51.78 56.21 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.096 0.558 . . . . 75.25 112.172 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.578 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -69.81 -24.3 63.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.768 0.427 . . . . 70.44 111.396 -177.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD21 HD12 ' A' ' 77' ' ' LEU . 61.6 tp -61.43 -47.86 83.8 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.965 0.506 . . . . 43.35 110.005 170.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.88 -45.58 89.88 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.231 -0.895 . . . . 62.4 110.148 175.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 32' ' ' LEU . 60.7 mt -63.12 -33.31 75.19 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.606 0.762 . . . . 64.35 111.947 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -67.26 -47.83 69.54 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.79 0.836 . . . . 62.31 110.899 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.06 -17.57 58.65 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.416 -0.356 . . . . 61.3 111.668 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -79.98 -24.69 40.74 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.348 0.659 . . . . 71.01 110.181 171.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.88 -1.63 51.94 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 119.556 -0.58 . . . . 74.41 114.303 173.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -81.14 90.51 6.05 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 117.513 0.656 . . . . 61.35 109.867 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 26.6 m95 -69.21 -34.55 75.03 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 114.563 -1.199 . . . . 42.32 109.985 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.6 -48.02 69.64 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.043 0.537 . . . . 63.33 110.92 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.554 ' HB3' HD13 ' A' ' 24' ' ' LEU . 83.6 mt -75.3 -35.86 61.22 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.342 -0.845 . . . . 51.34 111.339 -178.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 21' ' ' LEU . 50.0 tp -57.8 -49.08 77.81 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.929 0.892 . . . . 61.11 110.961 174.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.535 HD21 HD12 ' A' ' 443' ' ' LEU . 47.0 mt -79.64 -24.34 41.95 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.332 1.053 . . . . 74.32 110.829 -174.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -63.36 -39.87 95.71 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.656 0.783 . . . . 73.41 109.549 172.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 80.1 mm-40 -84.23 -24.56 29.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.054 -0.976 . . . . 74.42 111.221 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -50.42 -53.1 31.96 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.145 0.978 . . . . 74.04 111.782 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.88 -46.63 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 O-C-N 124.328 1.018 . . . . 62.23 111.334 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 m -67.41 -40.5 85.58 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.855 0.862 . . . . 64.42 110.926 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.451 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 29.8 t80 -67.62 -61.5 1.86 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.995 1.318 . . . . 63.23 111.539 -173.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.14 -35.42 80.72 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.086 0.866 . . . . 53.53 111.172 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -61.13 -44.03 97.97 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.309 0.244 . . . . 75.05 111.074 174.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 46' ' ' THR . 72.8 m -63.97 -36.66 84.68 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.456 0.473 . . . . 55.4 111.589 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.557 HG23 HD21 ' A' ' 457' ' ' LEU . 75.1 mt -66.02 -50.34 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 121.686 0.755 . . . . 72.52 110.401 175.371 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.15 -26.96 67.67 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.325 -0.852 . . . . 71.23 111.81 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 43' ' ' SER . 6.2 t -86.88 -28.53 22.78 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.602 0.593 . . . . 64.14 112.602 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.02 -23.99 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 118.72 0.691 . . . . 70.34 109.991 170.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.408 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 22.8 mmt -87.15 -23.4 24.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.489 0.715 . . . . 62.3 111.993 172.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 34.7 tt0 -68.37 -31.99 71.75 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.424 0.69 . . . . 71.02 109.273 167.467 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.633 ' HD2' HH22 ' A' ' 10' ' ' ARG . 0.1 OUTLIER -68.36 -15.28 63.5 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.548 -1.205 . . . . 74.23 110.815 175.501 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 72.52 2.61 4.41 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.542 1.537 . . . . 74.44 111.194 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.404 HG21 ' NE2' ' A' ' 460' ' ' GLN . 90.8 m 62.21 109.57 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 124.474 1.109 . . . . 73.13 110.68 -169.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.529 ' O ' HG12 ' A' ' 56' ' ' ILE . 32.3 Cg_exo -59.2 128.22 26.85 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.307 2.005 . . . . 63.03 111.489 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -63.7 -14.11 40.87 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.472 2.115 . . . . 71.21 112.986 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.32 50.99 4.16 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.109 -0.496 . . . . 75.33 113.091 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 53' ' ' PRO . 47.0 mm -96.65 99.31 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 108.392 -0.966 . . . . 72.4 108.392 171.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 t -77.18 168.59 19.8 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.065 0.546 . . . . 75.35 110.441 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -29.92 69.63 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 115.281 1.586 . . . . 73.44 115.281 -158.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -74.9 -38.55 61.81 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 118.841 0.746 . . . . 65.42 110.068 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.439 HG23 HG12 ' A' ' 8' ' ' ILE . 68.6 mt -62.37 -45.19 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 115.475 -0.784 . . . . 60.32 109.367 173.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.1 -42.41 85.62 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.882 1.273 . . . . 75.1 110.908 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.77 -46.97 87.3 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.795 0.838 . . . . 64.22 110.759 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 52.5 mtm -64.27 -61.82 2.0 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.801 -0.636 . . . . 71.0 110.975 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 68' ' ' ILE . 32.3 m -61.58 -40.6 87.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 118.594 -0.717 . . . . 60.22 111.862 -173.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.3 -34.39 78.01 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.173 0.442 . . . . 74.01 110.775 177.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.66 99.62 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.537 0.523 . . . . 52.11 112.355 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -70.56 -33.79 71.5 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.255 0.622 . . . . 65.0 111.601 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 64' ' ' VAL . 45.8 mt -69.05 -43.38 81.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 N-CA-C 108.572 -0.899 . . . . 64.32 108.572 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -59.3 -41.96 90.2 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.456 0.703 . . . . 74.32 110.608 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -62.06 -54.17 45.12 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 123.659 0.599 . . . . 64.21 110.588 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.6 t -64.77 -36.72 85.23 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 123.784 0.678 . . . . 51.13 110.824 -173.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.98 -45.54 93.18 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.66 0.784 . . . . 72.21 110.884 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.2 -52.58 63.23 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 124.193 0.933 . . . . 74.24 110.89 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -67.05 -38.37 85.71 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.141 -0.936 . . . . 65.44 111.606 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.7 tt0 -76.3 -25.21 54.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.38 1.072 . . . . 74.42 111.257 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -68.37 -41.4 80.68 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.317 0.647 . . . . 75.11 109.788 169.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.424 HD12 HD21 ' A' ' 22' ' ' LEU . 81.0 mt -67.63 -33.85 75.8 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.499 -0.773 . . . . 74.51 110.71 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.1 mt -64.03 -45.18 90.04 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.007 0.523 . . . . 73.22 110.285 173.129 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -50.6 -54.37 23.29 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.328 1.051 . . . . 74.03 110.944 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.89 -45.93 61.97 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 116.137 -0.483 . . . . 43.1 113.939 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tt -60.19 -56.31 23.12 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.198 0.999 . . . . 72.34 110.159 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.32 -32.07 73.52 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 124.142 0.902 . . . . 52.53 110.984 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 59.8 tt0 -57.07 -46.84 82.17 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 118.209 0.459 . . . . 74.41 111.369 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.23 -45.76 93.2 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.236 -0.893 . . . . 60.43 110.486 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.445 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 8.2 mmp_? -58.78 -51.34 70.41 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.015 0.822 . . . . 75.15 111.07 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 443' ' ' LEU . 96.0 mt -65.13 -30.29 71.21 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.389 1.076 . . . . 74.32 112.241 -175.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.28 -45.21 77.29 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.683 0.614 . . . . 64.43 109.556 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.07 -44.4 84.58 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.162 -0.926 . . . . 72.22 111.237 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 97.2 mt -61.43 -50.68 71.85 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.735 0.814 . . . . 71.43 110.192 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.9 t -63.04 -34.9 78.57 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.94 0.775 . . . . 72.23 111.233 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 23.0 t -61.63 -45.45 94.03 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.062 0.545 . . . . 74.14 109.771 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.21 -41.06 81.9 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.679 0.791 . . . . 75.31 111.53 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 89' ' ' LEU . 82.1 mt -61.5 -41.62 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.93 0.892 . . . . 72.43 110.038 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.03 -24.49 71.73 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.606 -0.725 . . . . 23.1 113.183 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 91' ' ' SER . 13.4 mm100 -84.56 -51.23 7.03 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.245 0.618 . . . . 54.41 111.163 178.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.88 -47.18 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 122.493 0.317 . . . . 75.35 111.612 -174.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.524 ' HA ' HD11 ' A' ' 429' ' ' ILE . 4.4 tt -79.47 114.0 18.05 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.574 -0.898 . . . . 73.11 108.574 -176.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -95.59 95.88 8.66 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 107.696 -1.224 . . . . 73.41 107.696 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -80.21 -31.01 38.7 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.162 0.585 . . . . 54.51 110.929 -178.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.76 -73.98 0.01 OUTLIER Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.399 -0.667 . . . . 54.24 112.467 -174.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -59.44 170.41 3.25 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 123.25 2.633 . . . . 55.04 114.142 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.8 m 69.03 26.55 5.6 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.298 1.439 . . . . 73.0 112.027 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -149.6 154.3 38.46 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.312 0.645 . . . . 74.11 110.979 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -73.92 -50.8 10.08 Favored Glycine 0 C--N 1.35 1.353 0 N-CA-C 111.404 -0.678 . . . . 43.13 111.404 173.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 pp -83.99 -174.54 5.34 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.617 0.767 . . . . 63.22 110.549 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.2 t -94.39 101.39 6.55 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 108.343 -0.984 . . . . 70.35 108.343 174.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -87.08 45.75 1.32 Allowed 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.71 2.94 . . . . 62.31 112.164 -173.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -65.9 87.2 0.1 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.612 0.765 . . . . 73.44 110.119 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -85.22 64.31 4.21 Favored Glycine 0 C--N 1.349 1.25 0 CA-C-N 115.403 -0.817 . . . . 72.22 111.878 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.0 m -69.91 94.7 0.86 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.728 0.811 . . . . 62.31 110.448 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.73 -70.78 0.25 Allowed Glycine 0 C--N 1.339 0.722 0 N-CA-C 111.544 -0.622 . . . . 75.44 111.544 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -133.29 135.14 7.89 Favored Glycine 0 C--N 1.351 1.371 0 CA-C-O 120.118 -0.268 . . . . 74.1 113.152 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.26 160.04 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.396 0 N-CA-C 108.175 -1.046 . . . . 70.24 108.175 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.42 32.49 0.64 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 124.422 1.089 . . . . 44.02 113.306 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -147.57 -176.15 20.95 Favored Glycine 0 N--CA 1.482 1.764 0 O-C-N 121.754 -0.591 . . . . 74.54 113.554 -175.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 23.9 t -73.1 -21.47 60.74 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.566 0.747 . . . . 60.12 110.099 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 429' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -51.24 -37.91 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 124.759 1.224 . . . . 61.25 110.731 168.461 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.49 -41.53 90.07 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.827 0.851 . . . . 72.12 111.689 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 39.1 mt-10 -67.91 -48.59 65.55 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.505 0.722 . . . . 74.32 110.723 -177.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 14.8 t -66.26 -35.74 81.18 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.259 0.35 . . . . 72.55 111.138 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 429' ' ' ILE . 38.9 t -57.7 -54.25 33.95 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 N-CA-C 108.946 -0.761 . . . . 61.13 108.946 171.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -53.16 -35.44 59.79 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.308 1.005 . . . . 65.04 111.947 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 26.4 mmt180 -66.88 -63.47 1.06 Allowed 'General case' 0 C--N 1.356 0.859 0 C-N-CA 122.73 0.412 . . . . 75.41 110.494 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -68.69 -25.13 64.63 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.439 0.533 . . . . 72.25 112.439 -174.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -81.36 -39.47 25.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.101 0.96 . . . . 71.42 110.365 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.76 74.18 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 109.08 -0.711 . . . . 72.31 109.08 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 26.3 mm-40 -59.23 -36.87 76.2 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.165 0.586 . . . . 52.41 111.127 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -63.75 -63.14 1.25 Allowed 'General case' 0 C--N 1.35 0.588 0 CA-C-N 116.199 -0.455 . . . . 74.11 109.943 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 38.3 m -60.36 -35.72 76.34 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.964 0.906 . . . . 71.12 112.671 -173.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 92.5 mt-30 -70.85 -50.85 30.87 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.405 0.682 . . . . 71.32 111.513 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.535 HD12 HD21 ' A' ' 34' ' ' LEU . 9.5 mp -70.22 -21.27 63.03 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.63 0.372 . . . . 64.23 110.998 176.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.39 -43.62 18.72 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.962 0.905 . . . . 71.43 110.811 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.5 t -71.94 -31.14 66.03 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.476 -0.565 . . . . 71.13 109.476 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.618 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.8 ttt -61.77 -45.31 94.46 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.834 0.709 . . . . 54.11 109.102 170.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.544 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 38.1 ttm -61.47 -50.49 72.52 Favored 'General case' 0 C--N 1.36 1.034 0 O-C-N 124.207 0.942 . . . . 61.54 112.751 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 36.2 p -62.08 -42.21 98.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.022 0.529 . . . . 75.1 110.765 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -70.35 -40.54 74.01 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.416 -0.811 . . . . 61.12 111.049 176.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.618 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.3 pp -74.64 -23.22 58.65 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 118.264 0.484 . . . . 63.04 110.868 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -75.75 -41.77 52.29 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.87 0.868 . . . . 72.24 109.034 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -63.62 -44.18 94.66 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 114.937 -1.029 . . . . 65.35 110.363 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 453' ' ' THR . . . . . 0.458 ' HB ' HG21 ' A' ' 44' ' ' ILE . 41.3 p -67.15 -57.94 5.81 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 118.23 -0.891 . . . . 73.22 109.626 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.8 p -53.24 -31.26 42.52 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.528 0.731 . . . . 73.34 112.331 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.7 t -59.7 -66.14 0.56 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.079 0.552 . . . . 71.21 111.047 172.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 456' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 2.0 p90 -71.37 -20.72 62.12 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.383 0.512 . . . . 73.14 112.383 -175.745 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 44' ' ' ILE . 56.8 mt -72.08 -43.62 64.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.367 0.667 . . . . 74.44 110.54 177.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.4 t -73.11 -33.18 65.4 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 117.641 0.201 . . . . 72.41 111.021 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -66.06 -49.04 69.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.264 0.626 . . . . 73.34 110.434 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 460' ' ' GLN . . . . . 0.404 ' NE2' HG21 ' A' ' 52' ' ' THR . 13.3 tm0? -71.16 -28.27 64.14 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.434 -0.803 . . . . 74.43 109.819 -178.259 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' PHE . . . . . 0.508 ' HB2' HG21 ' A' ' 68' ' ' ILE . 55.8 t80 -63.61 -43.05 98.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.479 0.712 . . . . 74.21 109.86 173.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 29.6 m -61.48 -37.41 83.53 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.663 0.602 . . . . 70.11 110.79 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -68.95 -53.93 18.1 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.026 0.38 . . . . 51.5 112.026 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 464' ' ' MET . . . . . 0.477 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.0 ttm -65.39 -34.55 78.58 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.638 0.775 . . . . 64.34 111.335 -172.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -80.91 -59.47 2.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.628 0.771 . . . . 73.44 109.283 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 77.56 1.59 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.001 0.52 . . . . 63.43 111.855 176.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.485 1.32 0 C-N-CA 123.686 0.794 . . . . 73.14 112.486 166.863 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 18.8 ptt? . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.393 0.616 . . . . 62.21 109.822 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.7 p -60.37 -56.83 16.65 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.663 0.785 . . . . 70.32 112.257 -170.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -60.03 -33.61 72.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.055 0.942 . . . . 61.32 112.296 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' A' ' 1' ' ' MET . 33.8 m -74.78 -41.61 59.71 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.574 0.749 . . . . 73.44 111.881 -176.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -74.46 -38.44 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 122.326 0.251 . . . . 60.34 110.677 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.6 -37.2 84.38 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 110.083 -0.34 . . . . 74.2 110.083 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' CE2' HG11 ' A' ' 64' ' ' VAL . 76.0 t80 -53.98 -52.62 60.14 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.141 0.977 . . . . 73.14 110.976 173.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.463 HG12 HG23 ' A' ' 60' ' ' ILE . 87.6 mt -55.81 -58.96 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 123.928 0.891 . . . . 73.31 111.585 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.58 -42.24 99.44 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 114.665 -1.152 . . . . 72.04 112.28 -170.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 14' ' ' ILE . 67.0 mtm180 -77.04 -32.24 56.8 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 118.621 -0.704 . . . . 74.31 110.836 -176.575 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.512 ' HH2' HD22 ' A' ' 457' ' ' LEU . 21.8 m95 -64.86 -39.89 94.26 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.465 0.575 . . . . 72.4 110.591 173.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 58.9 tt0 -53.58 -48.67 68.98 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.941 0.775 . . . . 72.3 109.342 171.078 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -63.66 -40.65 97.36 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.911 -0.586 . . . . 71.33 112.172 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.4 mt -61.36 -41.08 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.154 0.582 . . . . 61.42 110.344 -176.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.83 -41.88 67.64 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.139 0.575 . . . . 64.43 112.084 178.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 95.0 mt -64.79 -42.13 95.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.046 0.538 . . . . 64.4 110.812 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.7 mt -69.42 -47.9 62.67 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.87 0.868 . . . . 75.21 109.964 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 75.5 p -55.99 -42.86 77.0 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.838 0.711 . . . . 70.11 111.167 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -58.65 -53.57 56.87 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.256 -0.883 . . . . 71.11 111.114 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 68.3 m -60.25 -51.17 70.69 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.336 0.655 . . . . 75.22 112.173 -174.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.666 ' HB2' HD12 ' A' ' 33' ' ' LEU . 3.9 pp -71.87 -26.5 62.37 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 122.664 0.386 . . . . 65.33 111.782 -176.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.87 -43.35 99.04 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.279 0.362 . . . . 73.03 110.103 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.75 -45.07 90.54 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 115.383 -0.826 . . . . 64.35 109.812 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 32' ' ' LEU . 63.8 mt -66.92 -29.8 69.77 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.67 0.788 . . . . 73.13 112.006 -178.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -73.67 -43.76 58.52 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.583 0.753 . . . . 71.14 111.039 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -79.99 -14.92 58.2 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.029 -0.532 . . . . 64.45 111.031 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -78.4 -25.27 46.09 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.503 0.721 . . . . 75.32 109.694 167.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.42 -5.8 62.88 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.834 -0.621 . . . . 40.22 113.384 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.95 88.05 2.92 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 109.54 -0.541 . . . . 74.14 109.54 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.465 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 22.3 m95 -64.68 -37.8 88.82 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 115.07 -0.968 . . . . 71.23 109.931 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -55.25 -44.35 75.47 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.377 1.071 . . . . 64.35 111.868 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 24' ' ' LEU . 84.1 mt -72.19 -39.56 68.53 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.782 -0.645 . . . . 74.21 110.74 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 21' ' ' LEU . 38.0 tp -56.75 -46.01 81.66 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.319 1.048 . . . . 75.53 111.478 174.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.556 HD21 HD12 ' A' ' 443' ' ' LEU . 55.6 mt -77.19 -24.22 51.4 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.511 1.124 . . . . 63.24 110.901 -175.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.91 -37.82 82.16 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.896 -0.593 . . . . 72.21 110.085 172.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -82.86 -21.58 34.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.204 0.602 . . . . 74.43 111.379 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' HG3' ' HG3' ' A' ' 446' ' ' MET . 30.3 tt0 -50.89 -52.89 37.46 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.371 1.068 . . . . 71.15 111.402 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.7 m -60.86 -45.42 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 114.791 -1.095 . . . . 75.44 111.601 -172.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 p -69.69 -41.1 75.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.306 0.642 . . . . 72.43 110.986 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 32.8 t80 -62.17 -63.66 1.17 Allowed 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.953 1.301 . . . . 73.45 111.737 -177.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.75 -40.61 93.08 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.628 -0.714 . . . . 75.4 110.721 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -53.17 -48.3 68.12 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.263 0.625 . . . . 72.11 111.113 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.472 ' HA ' HG22 ' A' ' 46' ' ' THR . 71.1 m -62.15 -36.82 83.0 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 124.048 0.842 . . . . 74.13 111.534 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.36 -51.26 73.17 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 123.276 0.36 . . . . 75.33 110.808 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.98 -31.59 72.91 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 112.605 0.595 . . . . 74.03 112.605 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.5 t -84.23 -23.78 30.31 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 118.413 0.551 . . . . 61.21 112.166 -174.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -77.59 -33.3 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 118.54 0.609 . . . . 71.24 109.916 168.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.454 ' HG3' ' HE1' ' A' ' 456' ' ' TYR . 23.6 mmt -91.35 0.07 57.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.655 0.782 . . . . 72.11 112.781 -178.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.65 -30.53 67.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.449 0.642 . . . . 60.42 109.444 167.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -104.76 -4.93 21.74 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.907 0.883 . . . . 64.53 110.954 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 54.81 36.02 25.52 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.099 1.36 . . . . 73.23 112.719 171.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m 69.93 112.6 0.03 OUTLIER Pre-proline 0 CA--C 1.559 1.322 0 C-N-CA 124.395 1.078 . . . . 63.44 110.818 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.515 ' O ' HG12 ' A' ' 56' ' ' ILE . 33.6 Cg_endo -63.34 144.78 91.97 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.353 2.036 . . . . 75.43 111.681 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.31 2.99 3.31 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 123.04 2.493 . . . . 54.44 114.945 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -104.83 28.14 16.02 Favored Glycine 0 C--N 1.345 1.05 0 CA-C-N 117.629 0.195 . . . . 51.35 113.365 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 53' ' ' PRO . 37.2 mm -81.59 106.5 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 123.044 0.538 . . . . 74.23 109.662 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 t -75.78 166.9 22.85 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.174 0.59 . . . . 74.31 110.167 177.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.558 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -67.82 -23.42 65.18 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 113.28 0.844 . . . . 74.21 113.28 -165.841 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.3 t -70.38 -48.57 55.6 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.496 0.318 . . . . 51.11 110.418 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.463 HG23 HG12 ' A' ' 8' ' ' ILE . 81.6 mt -64.23 -40.81 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.644 0.777 . . . . 72.23 110.009 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.32 -39.95 92.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.942 1.297 . . . . 75.22 111.114 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.23 -41.83 76.49 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.162 0.585 . . . . 73.12 110.922 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 58.6 mtm -60.14 -55.2 36.77 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.576 0.547 . . . . 72.2 110.087 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.9 m -71.42 -28.36 31.65 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 CA-C-N 115.483 -0.781 . . . . 74.31 111.549 -174.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.94 91.9 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 118.201 0.455 . . . . 63.32 110.091 172.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -58.9 -47.34 91.08 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-N 115.649 -0.705 . . . . 53.23 111.934 171.299 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -66.54 -36.33 82.42 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.239 0.616 . . . . 74.02 112.35 -177.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 64' ' ' VAL . 68.7 mt -70.97 -42.01 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.161 -0.681 . . . . 75.14 109.161 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -42.58 97.99 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.249 0.62 . . . . 73.15 110.464 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 78.8 mt-30 -61.59 -50.43 72.62 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.028 -0.533 . . . . 75.35 110.75 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.7 t -68.54 -34.21 75.45 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 123.796 0.685 . . . . 62.22 110.672 -173.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.8 -42.46 95.01 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.292 0.637 . . . . 74.11 110.969 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.71 -48.77 70.87 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.43 0.692 . . . . 74.42 110.588 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 87.8 m-20 -66.76 -40.61 88.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.276 0.631 . . . . 74.44 111.006 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.505 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.0 tt0 -74.47 -25.3 59.31 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.452 1.101 . . . . 52.44 111.159 -177.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 -69.26 -42.51 75.5 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.47 0.708 . . . . 65.32 109.567 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.64 -33.23 75.4 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.473 -0.785 . . . . 65.25 111.529 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 75' ' ' GLU . 89.0 mt -66.57 -45.39 79.44 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.793 -0.447 . . . . 74.14 109.793 174.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.54 -50.76 67.14 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.629 0.772 . . . . 71.04 110.588 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.64 -52.3 35.39 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 116.451 -0.341 . . . . 73.0 113.645 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 6.6 tt -60.67 -57.71 11.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.124 0.969 . . . . 63.01 110.247 -175.181 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.35 -30.3 71.46 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-O 118.648 -0.692 . . . . 71.21 111.164 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.77 -42.33 98.85 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 118.685 0.675 . . . . 74.13 111.398 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -60.71 -45.91 92.43 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.783 -0.644 . . . . 65.31 110.265 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 1.2 mmp_? -62.68 -46.27 88.92 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.654 -0.703 . . . . 74.35 111.214 -178.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.04 -38.85 92.58 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.044 0.938 . . . . 75.52 111.128 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.06 -45.52 93.2 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.73 0.812 . . . . 75.05 110.344 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 41.1 mt-10 -65.14 -48.29 74.06 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.154 -0.93 . . . . 74.31 110.708 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.21 -36.17 77.08 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.144 0.577 . . . . 74.1 110.619 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -69.12 -34.06 74.44 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.031 0.933 . . . . 74.15 110.759 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.7 t -68.81 -37.28 79.11 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.202 0.601 . . . . 65.45 110.227 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 72.6 mt -66.29 -55.54 15.58 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.048 -0.524 . . . . 71.3 109.91 177.797 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.94 -42.4 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.994 1.318 . . . . 64.4 111.334 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.77 -34.12 69.93 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 116.211 -0.449 . . . . 34.34 113.552 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -86.85 -44.14 11.93 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 122.954 0.502 . . . . 61.21 111.324 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.574 HG23 HG22 ' A' ' 433' ' ' VAL . 21.6 m -90.16 -30.27 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 113.189 0.811 . . . . 74.34 113.189 -167.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt -80.58 113.28 18.66 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.02 -1.104 . . . . 63.45 108.02 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -99.39 110.75 23.22 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.021 -1.103 . . . . 73.51 108.021 174.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -106.19 -9.25 16.98 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.367 0.667 . . . . 62.44 111.47 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.82 -74.15 0.04 OUTLIER Glycine 0 C--N 1.346 1.123 0 CA-C-O 119.682 -0.51 . . . . 71.15 112.784 -177.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -83.37 -174.39 1.96 Allowed 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 122.643 2.229 . . . . 73.23 112.779 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.5 m 63.45 22.84 13.42 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.721 1.208 . . . . 74.23 112.528 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.83 147.59 34.31 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.907 0.883 . . . . 73.24 109.887 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.95 -48.6 53.38 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 123.579 0.55 . . . . 23.45 111.902 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.59 170.17 17.08 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.255 0.622 . . . . 73.15 110.326 170.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.7 t -89.15 102.81 4.64 Favored Pre-proline 0 CA--C 1.548 0.904 0 N-CA-C 108.161 -1.051 . . . . 54.22 108.161 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.14 126.14 7.61 Favored 'Trans proline' 0 C--N 1.37 1.664 0 C-N-CA 122.775 2.317 . . . . 74.12 111.713 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -154.45 44.52 0.53 Allowed 'General case' 0 C--O 1.244 0.799 0 N-CA-C 108.178 -1.045 . . . . 75.33 108.178 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.635 ' HA3' HG13 ' A' ' 113' ' ' ILE . . . -59.87 -27.35 64.27 Favored Glycine 0 C--N 1.351 1.37 0 CA-C-N 114.009 -1.45 . . . . 60.22 112.639 175.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 62.8 p 51.59 32.33 8.92 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.077 1.351 . . . . 51.24 112.149 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.32 45.55 4.96 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 115.281 -0.872 . . . . 30.21 111.846 -174.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.13 64.54 0.1 OUTLIER Glycine 0 C--N 1.348 1.245 0 N-CA-C 111.616 -0.594 . . . . 51.22 111.616 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . 0.635 HG13 ' HA3' ' A' ' 109' ' ' GLY . 3.6 mp -101.39 149.96 6.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 123.732 0.813 . . . . 61.21 108.972 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.24 106.2 17.74 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.429 0.633 . . . . 71.13 110.123 176.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 145.88 -178.28 23.71 Favored Glycine 0 C--N 1.344 0.989 0 CA-C-N 115.705 -0.68 . . . . 55.22 112.103 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 23.2 t -72.07 -19.88 61.75 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.633 0.773 . . . . 74.53 110.305 174.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -43.23 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.005 0.922 . . . . 75.51 110.886 175.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.21 -50.32 73.24 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.316 0.646 . . . . 73.12 110.971 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 431' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 29.5 mt-10 -65.82 -54.19 30.06 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.463 1.102 . . . . 75.51 111.316 -173.204 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.1 t -62.84 -39.39 94.22 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 111.759 0.281 . . . . 63.01 111.759 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 433' ' ' VAL . . . . . 0.574 HG22 HG23 ' A' ' 96' ' ' VAL . 51.0 t -64.77 -45.88 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.777 0.431 . . . . 60.12 110.138 174.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.03 -30.33 71.42 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.641 0.776 . . . . 70.45 111.786 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 435' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 79.2 mmt-85 -69.38 -55.81 9.3 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.347 0.404 . . . . 73.54 109.969 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -66.44 -30.2 70.51 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.227 0.329 . . . . 74.34 111.679 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -74.0 -43.2 58.85 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.28 0.632 . . . . 72.02 110.444 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.61 72.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.644 0.378 . . . . 74.12 110.641 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -60.75 -40.17 91.47 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.421 0.45 . . . . 71.52 111.049 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -57.71 -59.23 5.53 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 109.463 -0.569 . . . . 70.01 109.463 174.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 86.1 m -59.72 -33.28 71.43 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.168 0.987 . . . . 52.43 112.782 -173.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 95.5 mt-30 -75.25 -48.53 22.92 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.678 0.791 . . . . 64.35 111.443 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 443' ' ' LEU . . . . . 0.556 HD12 HD21 ' A' ' 34' ' ' LEU . 9.3 mp -69.35 -21.89 63.79 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.641 0.376 . . . . 51.51 110.478 175.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.21 -42.8 20.22 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.588 1.155 . . . . 74.21 111.419 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.0 t -71.06 -35.87 72.08 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.276 -0.639 . . . . 73.21 109.276 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 446' ' ' MET . . . . . 0.676 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.7 ttt -58.91 -46.24 88.38 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.849 0.718 . . . . 74.14 109.49 171.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' MET . . . . . 0.471 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 19.6 ttm -61.35 -54.09 48.25 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.282 0.989 . . . . 72.44 112.662 -177.437 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 30.7 p -58.49 -40.17 82.02 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.932 0.493 . . . . 64.31 111.163 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 449' ' ' LYS . . . . . 0.449 ' HB3' ' NZ ' ' A' ' 449' ' ' LYS . 8.9 mtpm? -69.36 -45.92 68.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.456 -0.793 . . . . 62.21 111.454 177.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' LEU . . . . . 0.676 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -72.34 -19.75 61.59 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.057 0.223 . . . . 61.41 111.039 -176.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -75.67 -47.98 24.0 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.879 0.872 . . . . 64.33 109.415 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 35.5 t-20 -61.07 -44.05 97.96 Favored 'General case' 0 C--O 1.25 1.13 0 CA-C-N 114.67 -1.15 . . . . 74.43 109.465 178.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 54.6 p -64.36 -60.47 3.14 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 118.434 -0.794 . . . . 63.15 110.352 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.1 p -52.13 -30.48 26.67 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.459 0.704 . . . . 73.44 112.277 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 455' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 458' ' ' THR . 34.9 t -60.45 -65.29 0.71 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 122.968 0.507 . . . . 50.13 110.423 172.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 456' ' ' TYR . . . . . 0.454 ' HE1' ' HG3' ' A' ' 48' ' ' MET . 6.4 p90 -71.28 -20.63 62.19 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 112.502 0.556 . . . . 64.22 112.502 -176.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 457' ' ' LEU . . . . . 0.512 HD22 ' HH2' ' A' ' 11' ' ' TRP . 64.9 mt -75.54 -38.25 59.44 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.711 0.804 . . . . 73.02 110.393 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 455' ' ' SER . 2.5 t -73.91 -35.12 64.61 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 110.164 -0.31 . . . . 71.31 110.164 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.33 -43.88 89.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.322 0.582 . . . . 72.31 110.097 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -57.64 -43.96 85.25 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.708 -1.133 . . . . 72.35 110.673 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -63.93 -38.18 90.13 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.388 -0.824 . . . . 73.11 110.807 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 4.3 m -63.0 -47.03 84.88 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 123.314 0.384 . . . . 64.32 110.891 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.06 -52.08 21.56 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.401 0.438 . . . . 73.11 111.799 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 464' ' ' MET . . . . . 0.426 ' SD ' HG23 ' A' ' 64' ' ' VAL . 53.8 ttm -62.14 -35.66 79.43 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.345 0.658 . . . . 73.51 111.617 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -79.47 -59.78 2.62 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.051 -0.722 . . . . 51.43 109.051 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.76 80.79 1.99 Allowed 'General case' 0 CA--C 1.565 1.554 0 N-CA-C 113.429 0.9 . . . . 61.33 113.429 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.49 1.565 0 O-C-N 120.839 -1.163 . . . . 73.21 109.354 161.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.9 p . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 111.423 0.157 . . . . 72.31 111.423 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -57.49 -41.89 81.63 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.602 0.761 . . . . 54.41 111.159 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 24.8 m -69.36 -43.53 73.4 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.898 -1.046 . . . . 75.54 112.193 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -70.21 -42.61 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 118.024 0.375 . . . . 53.53 111.593 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.85 -33.95 76.74 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.775 0.43 . . . . 73.2 110.463 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.464 ' HB3' ' O ' ' A' ' 4' ' ' THR . 58.2 t80 -53.56 -52.1 60.82 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.135 0.974 . . . . 74.52 110.611 169.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 4' ' ' THR . 86.1 mt -57.47 -57.01 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.911 0.884 . . . . 75.04 111.598 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 65.0 m-80 -59.02 -41.94 88.98 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.355 0.662 . . . . 75.21 112.686 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.427 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.8 mtm180 -74.07 -39.37 63.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 118.886 -0.578 . . . . 61.52 111.833 -175.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.423 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 77.4 m95 -65.22 -34.55 78.63 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.415 0.552 . . . . 74.42 111.155 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -57.94 -46.61 84.78 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 123.909 0.756 . . . . 75.31 109.61 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 83.7 mmt-85 -58.59 -51.12 71.26 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 123.771 0.669 . . . . 64.22 110.558 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.4 mt -54.26 -45.46 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.325 1.05 . . . . 44.25 112.013 -174.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.58 -41.79 65.3 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 112.625 0.602 . . . . 54.02 112.625 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.88 -39.99 91.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.836 0.454 . . . . 74.31 111.123 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.7 mt -67.41 -53.71 26.81 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 123.927 0.891 . . . . 71.12 109.661 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 47.0 p -54.7 -45.35 73.96 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.173 0.921 . . . . 73.13 111.809 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -58.19 -51.67 68.76 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.149 0.906 . . . . 60.2 111.722 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 67.2 m -73.38 -38.79 65.54 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.993 0.738 . . . . 51.31 112.993 -173.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.514 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -74.67 -19.92 60.08 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.1 0.409 . . . . 63.31 110.71 177.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -69.01 -41.75 77.36 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 110.035 -0.357 . . . . 71.32 110.035 169.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.87 -39.73 74.86 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.846 0.716 . . . . 64.41 109.725 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 21' ' ' LEU . 66.7 mt -72.65 -37.53 67.93 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.098 -0.955 . . . . 64.33 111.839 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.95 85.75 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.432 0.693 . . . . 23.44 111.174 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -73.3 -28.7 62.24 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.196 -0.457 . . . . 74.13 110.873 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.591 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 4.1 mmm180 -73.15 -19.52 61.11 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.48 0.712 . . . . 71.42 111.723 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.89 7.88 85.02 Favored Glycine 0 C--N 1.347 1.142 0 O-C-N 123.452 0.47 . . . . 42.32 112.789 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 55.5 mm-40 -71.07 85.88 0.73 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.442 0.697 . . . . 60.01 109.897 176.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.421 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 17.7 m95 -75.44 -39.47 58.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.623 0.369 . . . . 75.22 110.714 -176.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.64 -51.31 67.65 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.947 0.899 . . . . 74.53 109.974 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 88.7 mt -69.64 -39.72 76.95 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.109 -1.405 . . . . 71.13 111.124 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' A' ' 21' ' ' LEU . 63.8 tp -55.88 -45.56 78.55 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.952 0.901 . . . . 72.42 111.31 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.622 HD21 HD12 ' A' ' 443' ' ' LEU . 84.1 mt -77.82 -25.84 49.13 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.275 -0.875 . . . . 54.12 111.719 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -66.33 -37.57 85.67 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 121.08 0.467 . . . . 74.54 110.043 172.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 79.5 mm-40 -80.27 -28.54 38.35 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.475 -0.784 . . . . 64.42 111.346 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -50.48 -57.15 8.73 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.877 1.271 . . . . 75.31 111.707 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.62 -47.41 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 124.136 0.898 . . . . 62.12 111.86 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 p -68.71 -37.85 79.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.138 0.575 . . . . 51.14 111.367 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 27.5 t80 -68.31 -59.06 3.47 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.114 0.965 . . . . 72.23 111.455 -175.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.42 -41.29 93.66 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 124.15 0.906 . . . . 65.21 110.26 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.79 -34.45 77.93 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.589 0.556 . . . . 63.22 112.028 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.5 m -65.69 -42.39 91.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.665 0.386 . . . . 74.03 110.891 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.566 HG23 HD21 ' A' ' 457' ' ' LEU . 59.0 mt -64.58 -43.98 96.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-O 121.736 0.779 . . . . 73.02 110.431 176.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.87 -48.38 82.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.867 -1.06 . . . . 60.14 110.439 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 t -71.95 -27.93 63.12 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 118.932 -0.556 . . . . 70.03 112.007 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -75.54 -31.27 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 CA-C-N 118.769 0.713 . . . . 72.43 111.386 175.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 24.5 mmt -88.08 -22.47 24.14 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.834 0.679 . . . . 65.44 112.834 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -83.72 -28.68 28.08 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.944 0.498 . . . . 74.3 110.266 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HG3' HH22 ' A' ' 10' ' ' ARG . 7.9 tmtm? -72.75 -38.85 67.24 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.293 -1.003 . . . . 73.51 108.293 169.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 72.97 133.21 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 126.188 1.795 . . . . 74.21 111.292 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.424 HG23 ' CE1' ' A' ' 7' ' ' PHE . 98.8 m -52.54 112.84 3.76 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.743 1.217 . . . . 63.2 111.365 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HG2' HD11 ' A' ' 56' ' ' ILE . 30.8 Cg_endo -63.86 146.64 91.91 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.483 2.122 . . . . 63.31 111.98 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 27.5 Cg_exo -65.39 -17.47 57.9 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.622 2.214 . . . . 72.21 113.547 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.58 62.83 3.36 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 116.6 -0.273 . . . . 71.23 113.178 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.523 HD11 ' HG2' ' A' ' 53' ' ' PRO . 46.0 mm -117.29 114.88 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.928 0.891 . . . . 53.42 108.782 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -75.74 175.49 8.63 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.368 0.267 . . . . 40.34 110.444 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.467 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -66.79 -32.48 73.8 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.229 0.612 . . . . 72.14 111.224 -173.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' MET . 16.5 m -70.68 -47.01 62.08 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.106 0.562 . . . . 72.4 110.506 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.516 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 93.1 mt -69.03 -36.52 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-N 115.289 -0.869 . . . . 72.34 110.645 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.47 -41.1 93.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.535 0.734 . . . . 54.3 110.206 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.36 -39.71 92.65 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.439 0.696 . . . . 72.1 110.804 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.516 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 45.5 mtm -60.74 -56.35 22.24 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.064 0.545 . . . . 62.33 110.297 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 68' ' ' ILE . 25.6 m -73.15 -23.47 20.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.636 0 CA-C-N 115.397 -0.819 . . . . 70.34 112.201 -175.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.23 99.35 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.397 -0.594 . . . . 64.24 109.397 171.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.63 -43.11 99.72 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-N 115.221 -0.899 . . . . 35.5 112.264 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.0 -42.93 97.02 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.619 0.6 . . . . 74.41 112.619 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 64' ' ' VAL . 64.2 mt -68.8 -41.69 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.363 -0.606 . . . . 72.31 109.363 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -45.54 89.31 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.475 0.71 . . . . 72.05 110.894 178.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.44 -52.93 63.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.113 0.565 . . . . 74.51 110.094 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.6 -27.37 66.85 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 115.226 -0.897 . . . . 51.11 111.429 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.74 -44.87 69.36 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.281 0.632 . . . . 74.34 111.05 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.1 -55.03 37.3 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.183 0.927 . . . . 74.34 110.224 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -61.27 -42.26 98.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.124 -0.944 . . . . 33.24 111.846 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.7 tt0 -75.9 -24.69 55.64 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.776 0.831 . . . . 74.24 111.898 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -72.89 -36.56 67.34 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.15 0.5 . . . . 53.32 110.086 171.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.75 -32.48 71.04 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.651 -0.704 . . . . 72.11 110.156 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.4 mt -64.7 -44.26 90.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.105 0.562 . . . . 73.14 110.174 171.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -54.49 -56.75 15.56 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 124.204 0.94 . . . . 74.31 110.478 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.88 -46.6 93.26 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 123.518 0.511 . . . . 72.14 113.983 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.08 -52.56 63.41 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.938 0.895 . . . . 70.41 110.548 -176.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.444 HD22 HD23 ' A' ' 443' ' ' LEU . 81.9 mt -70.07 -25.32 63.48 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.785 -0.643 . . . . 64.44 111.3 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.75 -41.77 99.36 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 118.452 0.569 . . . . 64.34 110.264 172.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -59.48 -50.43 73.97 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.925 0.765 . . . . 75.03 110.003 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -60.83 -51.46 69.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.633 0.773 . . . . 75.25 111.905 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.21 -34.36 77.48 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.943 0.897 . . . . 54.23 111.955 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.23 -44.8 82.75 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.775 0.672 . . . . 74.14 110.488 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 48.2 mt-10 -63.17 -51.12 67.69 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.616 -0.72 . . . . 60.25 110.375 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.9 mt -58.98 -41.9 88.69 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.722 0.809 . . . . 73.11 111.742 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.6 t -65.0 -37.61 88.22 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.0 0.92 . . . . 71.12 111.541 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.0 t -70.2 -30.39 67.49 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.844 -0.617 . . . . 72.04 110.53 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 92.2 mt -72.89 -41.78 64.3 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.274 0.629 . . . . 64.44 110.602 175.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.42 -36.78 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.238 1.015 . . . . 75.42 110.535 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.37 -13.98 52.15 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.681 -0.69 . . . . 60.3 113.953 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -106.2 -52.5 2.79 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.004 0.922 . . . . 64.02 110.733 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 433' ' ' VAL . 31.8 m -74.99 -36.89 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 116.053 -0.521 . . . . 73.11 111.782 -170.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.0 tt . . . . . 0 N--CA 1.473 0.705 0 N-CA-C 108.101 -1.074 . . . . 61.4 108.101 -179.232 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 119.683 -0.199 . . . . 73.25 111.113 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.26 -35.55 75.77 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.496 0.718 . . . . 73.44 111.626 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.65 -50.36 31.29 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.64 0.776 . . . . 71.45 110.601 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.4 t -67.42 -36.15 80.68 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.134 0.271 . . . . 62.54 111.396 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 96' ' ' VAL . 65.9 t -64.8 -47.36 88.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 123.342 0.657 . . . . 75.11 110.201 174.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.49 76.65 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.363 0.665 . . . . 72.43 111.715 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 439' ' ' GLN . 30.1 mmt180 -67.58 -56.72 8.35 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.445 0.466 . . . . 72.43 110.887 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -64.5 -35.77 82.02 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 123.443 0.464 . . . . 74.2 112.175 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -71.53 -39.44 70.72 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.411 0.684 . . . . 70.02 110.764 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.89 47.28 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.302 0.376 . . . . 55.02 110.643 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.413 ' O ' HD13 ' A' ' 443' ' ' LEU . 28.1 mm-40 -60.0 -40.33 88.87 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.602 0.564 . . . . 54.22 110.641 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.83 -61.48 2.58 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 115.741 -0.663 . . . . 74.44 110.397 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.2 m -57.16 -37.35 71.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.963 0.905 . . . . 74.42 112.511 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -67.94 -50.72 54.29 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.339 0.655 . . . . 53.23 111.307 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.622 HD12 HD21 ' A' ' 34' ' ' LEU . 9.2 mp -72.61 -19.54 61.45 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 122.754 0.422 . . . . 73.33 111.205 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.3 -47.41 14.59 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.525 1.13 . . . . 63.45 111.298 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -66.8 -33.22 75.13 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.669 -0.493 . . . . 34.51 109.669 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.63 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -59.56 -46.69 88.17 Favored 'General case' 0 C--N 1.362 1.117 0 O-C-N 123.948 0.78 . . . . 63.51 109.913 171.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.563 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 30.8 ttm -64.35 -52.0 60.56 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.093 0.871 . . . . 72.12 112.611 -176.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 29.5 p -57.3 -42.87 82.61 Favored 'General case' 0 C--O 1.243 0.748 0 O-C-N 123.674 0.609 . . . . 74.12 111.073 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 453' ' ' THR . 59.7 mtpt -72.01 -40.16 68.67 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.553 -0.749 . . . . 65.23 111.538 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.63 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.4 pp -72.82 -23.59 60.8 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 118.779 0.718 . . . . 75.33 111.137 -176.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.86 -39.14 31.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.315 0.646 . . . . 64.1 109.274 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.87 -42.4 94.87 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.731 0.813 . . . . 62.04 110.371 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.429 ' HB ' HG21 ' A' ' 44' ' ' ILE . 40.0 p -65.03 -60.41 3.07 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 118.39 -0.814 . . . . 62.23 109.542 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 60.1 p -52.42 -31.18 33.1 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.67 0.788 . . . . 70.5 112.405 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.0 t -57.82 -67.52 0.33 Allowed 'General case' 0 CA--C 1.55 0.981 0 O-C-N 123.623 0.577 . . . . 65.52 111.16 171.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . 0.432 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 2.8 p90 -70.17 -19.67 63.18 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 112.769 0.655 . . . . 75.15 112.769 -177.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.566 HD21 HG23 ' A' ' 44' ' ' ILE . 62.6 mt -71.51 -44.72 64.15 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.37 0.668 . . . . 75.13 110.537 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 10.0 t -72.95 -31.52 64.63 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.401 0.438 . . . . 75.4 111.137 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -65.07 -49.99 67.89 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.367 0.417 . . . . 74.55 110.327 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -63.27 -32.55 73.99 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.076 -0.966 . . . . 42.1 110.867 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.57 -50.75 64.0 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.792 0.437 . . . . 63.23 110.425 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 24.1 m -62.45 -37.53 86.23 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.848 0.718 . . . . 54.23 111.377 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.95 -52.51 14.28 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 116.297 -0.411 . . . . 71.02 111.376 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.7 ttm -61.63 -35.28 77.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.72 0.808 . . . . 72.41 111.167 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -76.82 -64.16 1.19 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.886 -0.783 . . . . 75.2 108.886 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.97 78.51 1.56 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.538 0.685 . . . . 71.14 111.946 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 CA--C 1.561 1.402 0 CA-C-O 118.644 -0.694 . . . . 55.13 110.996 162.386 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.0 p . . . . . 0 N--CA 1.484 1.272 0 N-CA-C 112.501 0.556 . . . . 74.51 112.501 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -65.8 -32.55 74.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.861 0.865 . . . . 54.14 111.393 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 8' ' ' ILE . 39.2 m -76.39 -40.36 51.14 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.889 -0.596 . . . . 55.45 111.6 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.87 -37.15 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 CA-C-N 118.635 0.652 . . . . 72.33 110.801 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.75 -37.91 85.57 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.761 -0.459 . . . . 72.35 109.761 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' ' 4' ' ' THR . 64.4 t80 -54.78 -59.03 5.27 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.203 1.001 . . . . 71.13 110.659 171.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.557 HG12 HG23 ' A' ' 60' ' ' ILE . 94.4 mt -55.07 -58.98 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 124.496 1.118 . . . . 65.23 111.644 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -60.53 -49.41 77.66 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.371 -1.286 . . . . 62.45 111.494 -170.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 14' ' ' ILE . 38.4 mtm180 -69.95 -36.94 75.65 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 118.468 -0.777 . . . . 73.34 111.496 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.434 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 24.4 m95 -58.59 -42.64 88.54 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 118.485 0.584 . . . . 64.34 110.741 173.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -58.31 -45.4 88.09 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.873 0.733 . . . . 74.15 110.088 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 32.9 mmt180 -66.87 -32.96 74.56 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 123.8 0.688 . . . . 70.43 111.407 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.6 mt -64.08 -44.31 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.405 0.682 . . . . 71.24 109.802 178.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -66.44 -43.32 85.95 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.591 0.756 . . . . 61.11 111.736 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.16 -47.87 84.2 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.301 -0.863 . . . . 64.24 110.633 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 80.8 mt -62.92 -54.6 36.1 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.694 0.798 . . . . 63.24 110.602 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.448 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 61.5 p -53.11 -43.85 67.18 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.885 0.874 . . . . 74.44 111.613 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.68 -51.03 68.81 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.527 -0.76 . . . . 74.53 111.082 176.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -63.35 -45.08 92.84 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.495 0.718 . . . . 62.53 112.3 -174.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.574 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -79.86 -21.67 43.82 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.65 0.38 . . . . 72.13 111.308 -176.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.58 -43.85 97.79 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.55 -0.537 . . . . 72.24 109.55 169.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.84 -45.12 93.41 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.773 -1.103 . . . . 72.51 110.154 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.64 -33.67 76.14 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.487 0.715 . . . . 55.3 111.824 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.76 64.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.515 0.726 . . . . 51.15 110.973 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -76.3 -15.61 59.95 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.56 0.344 . . . . 54.42 111.134 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -80.7 -24.52 38.78 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.749 0.82 . . . . 70.41 110.919 172.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.17 7.13 73.86 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 123.556 0.535 . . . . 43.12 112.762 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.3 75.06 4.83 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.933 0.893 . . . . 73.11 109.575 174.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -69.24 -33.01 72.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.294 -0.866 . . . . 75.52 111.168 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.54 -50.36 72.09 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.107 0.963 . . . . 74.54 110.089 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.6 mt -73.6 -35.22 65.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.141 -1.39 . . . . 74.35 110.678 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.6 tp -58.65 -48.8 79.82 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.461 0.705 . . . . 73.23 110.509 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.585 HD21 HD12 ' A' ' 443' ' ' LEU . 63.6 mt -75.82 -23.81 55.8 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.218 -0.901 . . . . 64.34 111.185 -177.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -69.39 -38.47 78.0 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.939 -0.393 . . . . 71.35 109.939 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -85.4 -15.18 43.96 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.881 -0.6 . . . . 63.43 111.668 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -53.06 -59.02 5.06 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.422 1.089 . . . . 70.2 110.721 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.82 -39.34 79.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 114.731 -1.122 . . . . 52.1 111.378 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -63.17 -47.58 82.05 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.109 0.963 . . . . 63.11 110.49 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.448 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.1 t80 -67.87 -57.66 5.88 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 125.098 1.359 . . . . 73.42 111.762 -173.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.21 -40.05 92.54 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.947 0.779 . . . . 73.12 110.832 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.54 -43.16 97.89 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.178 0.299 . . . . 61.33 111.283 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -59.94 -40.67 89.75 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 123.589 0.556 . . . . 65.53 111.307 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.582 ' O ' ' HG2' ' A' ' 48' ' ' MET . 63.0 mt -60.86 -60.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-N 115.745 -0.661 . . . . 62.11 109.383 173.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.49 -30.94 63.55 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.273 0.629 . . . . 75.21 112.301 -174.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 t -84.81 -22.99 29.31 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 112.761 0.652 . . . . 54.04 112.761 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.56 HG23 ' SD ' ' A' ' 48' ' ' MET . 34.1 m -77.07 -29.11 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 CA-C-N 119.16 0.891 . . . . 73.3 110.213 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 62.6 mmm -85.75 -19.67 30.43 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.403 0.52 . . . . 74.21 112.403 -175.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.07 -24.55 62.35 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 118.191 0.451 . . . . 60.43 110.751 172.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -78.02 -12.06 59.96 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.474 0.71 . . . . 73.24 110.9 169.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 59.82 27.53 16.86 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.32 1.448 . . . . 74.2 111.579 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m 61.77 98.94 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.172 0 O-C-N 124.434 1.084 . . . . 74.43 110.251 -170.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.515 ' O ' HG12 ' A' ' 56' ' ' ILE . 48.8 Cg_exo -57.23 124.74 16.88 Favored 'Trans proline' 0 C--N 1.371 1.719 0 C-N-CA 122.541 2.161 . . . . 65.2 110.626 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 27.3 Cg_exo -64.99 -8.0 16.88 Favored 'Trans proline' 0 C--N 1.368 1.574 0 C-N-CA 122.674 2.249 . . . . 65.44 114.754 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.61 58.49 5.0 Favored Glycine 0 C--N 1.353 1.511 0 C-N-CA 122.674 0.178 . . . . 73.0 112.695 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 53' ' ' PRO . 50.9 mm -122.49 117.83 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.45 1.1 . . . . 54.32 109.142 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.6 t -75.58 166.2 23.94 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.427 -0.583 . . . . 75.21 109.427 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -68.26 -25.66 65.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.827 0.451 . . . . 62.5 112.081 -169.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.6 t -70.52 -46.61 63.3 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.022 0.529 . . . . 73.34 110.276 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.557 HG23 HG12 ' A' ' 8' ' ' ILE . 91.2 mt -64.07 -41.97 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.29 0.636 . . . . 71.53 110.286 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -60.84 -38.86 86.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.495 1.118 . . . . 74.44 111.052 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.37 -47.23 77.11 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.809 0.843 . . . . 63.24 110.761 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.9 mtm -56.87 -52.95 63.14 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.856 0.723 . . . . 65.04 109.98 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.3 m -71.99 -29.89 34.75 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 115.249 -0.887 . . . . 73.41 111.714 -175.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.62 -35.81 78.95 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.325 0.511 . . . . 71.32 110.151 173.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.3 -46.38 93.03 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 115.449 -0.796 . . . . 75.05 111.57 171.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.2 m-85 -65.45 -34.38 78.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.108 0.563 . . . . 72.32 112.235 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 64' ' ' VAL . 51.8 mt -73.98 -38.03 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.576 -0.527 . . . . 51.32 109.576 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -38.21 89.79 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.587 -0.523 . . . . 73.12 109.587 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.449 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 28.8 mt-30 -65.83 -52.19 52.57 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 115.188 -0.915 . . . . 73.45 110.535 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 68' ' ' ILE . 6.1 t -63.75 -37.44 87.39 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 123.658 0.599 . . . . 74.12 110.814 -174.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.7 -46.33 85.97 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.38 0.672 . . . . 75.04 110.842 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.26 -51.32 66.64 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.176 0.922 . . . . 44.12 110.814 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.89 -41.88 90.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.574 0.75 . . . . 52.32 110.955 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.511 ' HA ' HD12 ' A' ' 78' ' ' LEU . 37.0 tt0 -73.71 -26.62 60.79 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.193 0.997 . . . . 74.21 111.25 -178.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -68.39 -41.76 80.05 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.726 0.81 . . . . 72.14 109.641 171.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.29 -31.99 70.85 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.51 -0.768 . . . . 62.11 110.508 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 75' ' ' GLU . 98.1 mt -63.27 -45.32 92.0 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.958 0.503 . . . . 74.55 109.889 171.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -53.14 -54.47 35.31 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.392 0.677 . . . . 72.04 110.646 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.92 -45.66 62.81 Favored Glycine 0 C--N 1.35 1.338 0 O-C-N 123.903 0.752 . . . . 63.54 113.988 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.0 -55.39 26.09 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.772 0.829 . . . . 73.22 109.824 -176.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.67 -31.49 72.67 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.9 -0.591 . . . . 64.33 111.013 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.89 -45.69 89.66 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 122.677 0.391 . . . . 72.01 110.95 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.1 -47.78 84.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.189 -0.914 . . . . 64.03 110.39 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.2 mmp_? -61.02 -46.99 88.51 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.029 0.831 . . . . 52.23 111.247 -176.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 443' ' ' LEU . 62.7 mt -64.54 -36.46 84.29 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.071 0.948 . . . . 73.24 111.628 -178.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.12 -43.57 98.55 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.927 0.767 . . . . 73.42 110.525 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -69.59 -40.82 76.46 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.685 0.794 . . . . 64.44 110.893 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 94.6 mt -61.18 -51.88 67.16 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.196 0.598 . . . . 71.21 109.786 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 t -61.38 -34.33 75.15 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.746 1.218 . . . . 74.12 111.819 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.2 t -62.33 -46.77 87.22 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.567 -0.742 . . . . 74.43 110.428 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.36 -40.09 74.24 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.778 -0.646 . . . . 75.34 111.689 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.38 -44.53 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.762 0.825 . . . . 71.25 109.928 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.81 -27.73 67.16 Favored Glycine 0 C--N 1.344 1.0 0 O-C-N 123.743 0.652 . . . . 75.25 113.554 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -80.81 -51.82 8.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 122.998 0.519 . . . . 75.35 110.892 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.6 m -78.78 -29.05 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 112.987 0.736 . . . . 73.14 112.987 -171.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 tt . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 107.699 -1.223 . . . . 71.11 107.699 -178.777 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 109.875 -0.417 . . . . 73.35 109.875 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.49 -45.33 92.0 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.543 0.737 . . . . 65.51 111.206 173.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.1 mt-10 -60.44 -53.94 51.51 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 124.207 0.942 . . . . 62.12 110.87 -175.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.3 t -61.18 -43.38 98.97 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.674 0.609 . . . . 72.11 111.485 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.24 -40.88 87.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 122.373 0.269 . . . . 75.43 110.345 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.86 79.43 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.512 0.725 . . . . 42.43 111.799 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.2 mmt180 -68.84 -54.35 16.2 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.097 -0.705 . . . . 74.13 109.097 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -69.65 -26.16 64.27 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.35 -0.841 . . . . 73.31 112.076 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -76.04 -38.46 57.18 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.703 0.801 . . . . 51.05 109.768 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.28 -55.22 26.6 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.206 -0.664 . . . . 75.41 109.206 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -54.34 -41.05 68.63 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.885 0.874 . . . . 65.43 111.352 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -61.62 -62.88 1.5 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-N 116.066 -0.515 . . . . 53.51 110.297 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 40.2 m -62.63 -35.16 78.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.036 0.934 . . . . 64.25 112.454 -172.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -69.08 -47.45 65.24 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.574 0.75 . . . . 73.0 111.322 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.585 HD12 HD21 ' A' ' 34' ' ' LEU . 8.1 mp -73.81 -19.62 60.7 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.457 0.303 . . . . 63.43 110.75 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.34 -42.25 23.3 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.338 1.055 . . . . 65.33 110.974 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.0 t -72.0 -34.09 68.61 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.414 -0.587 . . . . 73.54 109.414 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.559 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.1 ttt -60.41 -45.32 94.0 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 123.844 0.715 . . . . 64.02 109.499 170.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.46 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 33.1 ttm -60.53 -49.11 78.84 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.66 1.225 . . . . 73.15 112.56 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 41.8 p -65.1 -38.83 91.98 Favored 'General case' 0 C--O 1.246 0.895 0 O-C-N 123.482 0.489 . . . . 72.24 110.765 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -72.14 -40.7 67.86 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 115.804 -0.635 . . . . 64.33 111.518 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.559 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -72.7 -23.53 60.88 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 120.899 0.38 . . . . 73.4 110.446 -177.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.72 -50.11 53.42 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 124.148 0.979 . . . . 74.22 109.464 173.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -59.64 -46.6 88.53 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 114.902 -1.044 . . . . 70.42 110.921 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 40.1 p -62.68 -61.79 2.18 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 118.397 -0.811 . . . . 74.11 110.123 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 76.1 p -53.53 -28.98 34.33 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.19 0.596 . . . . 72.42 112.601 -178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.425 ' O ' HG22 ' A' ' 458' ' ' THR . 33.2 t -61.61 -62.31 1.9 Allowed 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.609 0.568 . . . . 73.15 110.868 174.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . 0.491 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 3.0 p90 -72.84 -20.6 61.1 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 112.053 0.39 . . . . 72.44 112.053 -177.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.52 HD21 HG23 ' A' ' 44' ' ' ILE . 70.8 mt -74.19 -37.22 63.99 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.262 0.625 . . . . 73.5 110.951 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 455' ' ' SER . 7.1 t -74.6 -32.0 62.21 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 110.267 -0.271 . . . . 71.42 110.267 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -59.89 -53.46 57.63 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.278 0.561 . . . . 71.4 109.617 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -61.86 -35.18 77.53 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 114.331 -1.304 . . . . 74.51 111.217 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . 0.411 ' HB2' HG21 ' A' ' 68' ' ' ILE . 30.0 t80 -65.58 -56.32 12.9 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.321 0.648 . . . . 73.44 110.353 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 32.0 m -61.0 -35.52 77.04 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 124.17 0.919 . . . . 64.11 111.187 -175.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.8 -52.04 14.39 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.172 0.589 . . . . 64.24 110.971 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.422 ' SD ' HG23 ' A' ' 64' ' ' VAL . 52.8 ttm -62.03 -33.98 75.36 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 115.611 -0.722 . . . . 72.12 110.784 -177.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -81.51 -69.67 0.59 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.911 -0.774 . . . . 44.25 108.911 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.11 79.37 1.83 Allowed 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.123 0.569 . . . . 41.33 112.427 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.253 1.264 0 O-C-N 121.366 -0.833 . . . . 55.35 109.382 167.197 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 p . . . . . 0 N--CA 1.484 1.252 0 CA-C-O 120.82 0.343 . . . . 64.43 111.739 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -63.74 -37.15 86.3 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.857 0.863 . . . . 50.43 111.122 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 8' ' ' ILE . 7.1 m -77.48 -34.79 54.2 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.461 -0.79 . . . . 72.15 111.548 -175.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -73.31 -42.72 57.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 118.218 0.463 . . . . 63.53 110.688 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.76 -36.55 84.24 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.471 0.308 . . . . 35.42 110.178 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.606 ' HE1' HG23 ' A' ' 52' ' ' THR . 79.9 t80 -52.86 -56.14 18.03 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.238 1.015 . . . . 62.44 111.396 171.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.54 HG12 HG23 ' A' ' 60' ' ' ILE . 72.4 mt -58.57 -52.29 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 123.607 0.763 . . . . 64.21 111.509 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 86.6 m-20 -56.52 -50.71 71.01 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.326 1.016 . . . . 74.25 111.374 -175.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -68.27 -42.0 80.21 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.651 0.594 . . . . 71.43 111.117 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -62.53 -39.45 93.6 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 118.144 0.429 . . . . 74.33 111.282 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -56.5 -48.58 76.89 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.5 0.5 . . . . 75.42 110.163 172.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 75.8 mmt-85 -60.9 -41.16 95.53 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 123.722 0.639 . . . . 71.33 110.765 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.88 -44.28 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.075 0.95 . . . . 74.01 110.997 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.09 -40.06 71.77 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.52 0.328 . . . . 74.53 111.863 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.29 -40.88 86.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.035 0.534 . . . . 75.51 111.172 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 92.7 mt -70.47 -48.86 53.76 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.548 0.739 . . . . 73.34 109.694 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.472 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.4 p -56.48 -41.26 76.28 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.816 0.698 . . . . 65.12 111.476 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -60.34 -52.65 64.36 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.385 1.053 . . . . 75.04 111.533 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -61.97 -47.31 85.42 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.484 -0.78 . . . . 73.35 111.334 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.523 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -76.15 -19.85 58.09 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 122.919 0.488 . . . . 73.51 111.708 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.91 -44.95 83.7 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.395 -0.595 . . . . 61.43 109.395 172.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 34.4 mt-10 -60.62 -40.33 91.48 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.496 -1.229 . . . . 60.22 110.452 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 21' ' ' LEU . 88.1 mt -65.35 -38.46 90.15 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.436 0.695 . . . . 55.34 111.488 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.9 75.29 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.429 0.692 . . . . 63.1 111.566 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -77.16 -19.35 56.94 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.874 -0.603 . . . . 74.51 111.204 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.563 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -80.26 -20.43 44.51 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.226 0.61 . . . . 72.23 110.834 171.229 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.91 11.41 73.59 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 123.064 0.227 . . . . 44.5 113.171 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.563 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 40.2 mm-40 -70.39 82.22 0.56 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.513 0.725 . . . . 63.2 109.647 173.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -74.23 -41.36 61.45 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.284 0.233 . . . . 64.53 110.809 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.6 -50.48 67.94 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.119 0.968 . . . . 52.2 110.708 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.4 mt -70.94 -38.19 72.87 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.064 -1.426 . . . . 72.23 110.822 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 21' ' ' LEU . 58.7 tp -59.9 -46.45 89.3 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.873 0.869 . . . . 54.43 111.384 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.553 HD21 HD12 ' A' ' 443' ' ' LEU . 63.0 mt -75.23 -27.65 59.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.452 1.101 . . . . 72.33 111.07 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -69.44 -33.65 73.26 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.996 0.427 . . . . 74.25 109.991 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -82.55 -22.9 34.76 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.945 0.898 . . . . 65.32 111.665 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -49.48 -55.01 14.72 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.865 1.266 . . . . 64.55 111.019 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.3 m -60.14 -43.73 93.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 114.717 -1.128 . . . . 64.42 111.676 -174.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -66.85 -53.67 30.15 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.734 0.814 . . . . 62.13 110.765 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.472 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 20.3 t80 -59.79 -58.74 7.24 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.807 -1.542 . . . . 72.51 112.005 -175.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.3 -40.62 97.88 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.48 -0.782 . . . . 71.01 110.926 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.79 -39.53 77.72 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.891 0.476 . . . . 74.13 111.625 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.1 m -62.99 -44.37 96.22 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 123.691 0.619 . . . . 63.41 111.529 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.447 HG23 HD21 ' A' ' 457' ' ' LEU . 51.2 mt -63.15 -44.88 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 CA-C-O 121.787 0.803 . . . . 74.23 110.639 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 45.6 mt-10 -60.55 -47.21 87.17 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 114.867 -1.06 . . . . 74.32 109.828 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -74.55 -30.07 61.6 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.154 0.427 . . . . 60.33 112.154 -171.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 m -69.08 -32.82 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.661 0.664 . . . . 73.33 110.106 173.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.0 mmt -80.57 -24.22 39.36 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.248 0.462 . . . . 64.25 112.248 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 11.4 mm-40 -77.9 -24.45 48.38 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.23 0.468 . . . . 71.12 110.033 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -83.23 -2.12 54.79 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.203 0.601 . . . . 74.52 109.766 170.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 68.98 9.06 7.21 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.739 1.616 . . . . 64.44 112.442 175.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.606 HG23 ' HE1' ' A' ' 7' ' ' PHE . 53.5 m 62.09 105.38 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.263 0 C-N-CA 124.818 1.247 . . . . 75.14 110.83 -173.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -46.42 125.18 8.78 Favored 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 123.577 2.851 . . . . 73.22 112.972 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.98 -22.69 14.6 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.826 2.35 . . . . 72.42 113.926 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.79 70.11 3.23 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-O 120.969 0.205 . . . . 65.01 112.723 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.0 mm -120.29 121.91 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.234 1.013 . . . . 71.44 109.422 -174.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 t -75.26 164.65 26.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.947 0.499 . . . . 70.53 110.377 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -67.91 -18.24 64.72 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 112.801 0.667 . . . . 70.25 112.801 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.5 m -72.26 -45.01 61.96 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.408 0.623 . . . . 61.42 111.077 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.54 HG23 HG12 ' A' ' 8' ' ' ILE . 84.6 mt -74.34 -37.81 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 114.88 -1.055 . . . . 75.05 109.543 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -63.14 -34.07 76.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.098 0.959 . . . . 75.2 110.291 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.1 -51.0 63.89 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.585 0.754 . . . . 53.41 111.23 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 64.1 mtm -56.33 -52.82 63.14 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.566 0.541 . . . . 73.43 110.841 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 68' ' ' ILE . 19.8 m -74.73 -27.71 20.94 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 CA-C-N 115.535 -0.757 . . . . 74.13 111.927 -173.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.95 81.59 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.143 0.429 . . . . 52.2 110.249 170.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.64 -42.14 93.54 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-N 115.868 -0.605 . . . . 64.21 112.175 173.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.44 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 24.2 m-85 -65.81 -43.49 88.49 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.101 0.56 . . . . 63.22 111.625 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 64' ' ' VAL . 67.7 mt -67.54 -42.9 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 109.34 -0.615 . . . . 63.33 109.34 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -57.68 -49.85 75.12 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.844 0.458 . . . . 64.34 110.913 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.22 -40.17 86.34 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.943 -0.571 . . . . 72.03 110.283 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -27.39 65.28 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.418 -0.356 . . . . 62.54 110.838 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.43 -48.75 63.78 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.72 0.808 . . . . 74.52 110.842 174.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 24.1 t70 -56.9 -53.25 60.09 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.311 1.007 . . . . 64.22 110.044 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -62.79 -45.18 93.85 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.596 -1.184 . . . . 63.31 111.107 -175.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.578 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.6 tt0 -73.92 -24.5 59.68 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.604 0.761 . . . . 74.13 111.892 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -72.39 -37.62 68.67 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.098 0.559 . . . . 74.21 110.06 172.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 68.3 mt -69.52 -32.91 72.04 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.76 -0.655 . . . . 71.42 110.102 176.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 75' ' ' GLU . 81.3 mt -63.84 -46.48 84.85 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.077 0.551 . . . . 75.21 109.82 172.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.05 -51.6 63.54 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.822 0.849 . . . . 74.43 111.286 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.7 -44.27 71.42 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 123.63 0.581 . . . . 74.12 113.679 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.11 -53.96 41.4 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.643 0.777 . . . . 75.2 109.711 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.83 -24.21 66.13 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.675 -0.693 . . . . 74.13 111.192 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.7 -46.5 87.85 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.254 0.479 . . . . 62.31 110.552 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -59.51 -48.92 79.78 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.414 1.071 . . . . 62.14 110.046 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.8 mmp_? -59.58 -49.02 79.4 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.425 -0.807 . . . . 71.32 111.383 -176.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 443' ' ' LEU . 73.9 mt -69.7 -28.23 65.67 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.682 0.793 . . . . 74.11 111.694 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.13 -44.41 88.8 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.361 0.6 . . . . 72.22 109.776 175.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -70.35 -45.04 66.93 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 114.813 -1.085 . . . . 72.24 111.259 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 93' ' ' ILE . 91.9 mt -62.96 -42.72 99.91 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 123.545 0.738 . . . . 63.44 110.147 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.4 t -59.7 -45.85 90.87 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.467 0.707 . . . . 72.12 110.484 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.2 t -59.87 -42.56 93.98 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.874 0.734 . . . . 61.13 111.086 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.68 -47.62 80.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.267 0.627 . . . . 72.24 111.002 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 89' ' ' LEU . 80.3 mt -58.83 -42.3 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.676 0.791 . . . . 70.13 110.067 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.73 -33.65 87.83 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 116.167 -0.469 . . . . 73.11 113.402 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.35 -35.74 24.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.395 0.678 . . . . 74.11 111.784 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.496 HG23 HG22 ' A' ' 433' ' ' VAL . 31.2 m -89.68 -27.79 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 122.535 0.334 . . . . 53.01 111.737 -175.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.484 1.267 0 N-CA-C 108.369 -0.975 . . . . 72.43 108.369 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 109.824 -0.436 . . . . 70.53 109.824 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.68 -39.11 83.44 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.716 0.807 . . . . 74.44 111.677 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.4 mt-10 -67.32 -58.13 5.36 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.011 0.819 . . . . 75.24 110.749 -177.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 10.0 t -61.5 -40.67 95.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.658 0.383 . . . . 72.14 111.681 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 96' ' ' VAL . 55.9 t -61.06 -49.04 86.33 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 CA-C-O 119.163 -0.446 . . . . 72.51 109.926 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.2 -34.04 71.68 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.607 0.567 . . . . 71.05 111.95 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.7 mmt180 -69.95 -52.95 20.23 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 110.287 -0.264 . . . . 73.24 110.287 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -69.39 -24.94 63.93 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.337 -0.392 . . . . 71.52 111.693 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -76.3 -39.8 53.22 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.57 1.148 . . . . 60.33 109.805 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.05 -48.11 66.52 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.978 0.511 . . . . 42.31 110.468 176.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.45 -40.37 90.88 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.989 0.516 . . . . 75.31 110.661 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.54 -56.17 22.95 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 122.866 0.466 . . . . 74.11 109.811 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 58.5 m -62.85 -34.23 76.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.914 1.285 . . . . 73.13 112.996 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -79.62 -46.15 17.77 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.111 0.564 . . . . 61.41 111.125 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.553 HD12 HD21 ' A' ' 34' ' ' LEU . 10.0 mp -67.98 -19.65 64.96 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 110.389 -0.226 . . . . 74.34 110.389 172.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -78.7 -48.62 14.62 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.689 1.196 . . . . 71.31 110.951 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -65.3 -33.65 76.49 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.597 -0.52 . . . . 75.22 109.597 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.644 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.8 ttt -62.24 -50.92 69.81 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 123.564 0.54 . . . . 71.12 110.004 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.424 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 33.3 ttm -58.99 -48.96 79.69 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.005 0.816 . . . . 52.22 112.466 -176.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 32.7 p -64.3 -45.84 86.21 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.347 0.659 . . . . 71.3 110.732 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -66.95 -40.31 87.5 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.787 -0.642 . . . . 64.34 111.428 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.644 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.1 pp -73.64 -24.34 59.99 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 123.107 0.254 . . . . 55.43 110.371 -177.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -73.29 -42.24 62.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.716 0.806 . . . . 44.42 109.206 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -67.57 -43.59 80.25 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.975 -1.012 . . . . 64.42 110.901 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 34.8 p -63.65 -60.02 3.86 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-O 118.638 -0.696 . . . . 70.24 109.587 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 87.1 p -54.46 -31.34 55.41 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.506 0.722 . . . . 44.44 112.207 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.4 t -59.5 -65.2 0.71 Allowed 'General case' 0 C--O 1.247 0.951 0 O-C-N 123.696 0.623 . . . . 74.52 110.638 173.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . 0.433 ' HA ' HE21 ' A' ' 459' ' ' GLN . 0.9 OUTLIER -69.68 -21.35 63.52 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 111.983 0.364 . . . . 74.25 111.983 -176.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.447 HD21 HG23 ' A' ' 44' ' ' ILE . 43.8 mt -73.51 -43.43 60.09 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.709 0.803 . . . . 74.32 110.897 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 11.2 t -70.71 -37.21 73.54 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.49 0.186 . . . . 73.11 110.806 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . 0.433 HE21 ' HA ' ' A' ' 456' ' ' TYR . 15.7 mt-30 -68.33 -47.41 67.61 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.044 -0.525 . . . . 53.33 110.311 177.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -64.99 -33.89 77.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.888 0.875 . . . . 74.22 110.983 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . 0.413 ' HB2' HG21 ' A' ' 68' ' ' ILE . 34.5 t80 -63.23 -47.13 83.79 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.225 0.61 . . . . 53.51 110.521 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 28.0 m -61.22 -31.24 71.02 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 123.584 0.553 . . . . 74.13 110.527 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.89 -54.55 8.43 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.095 0.558 . . . . 60.33 111.83 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 49.8 ttm -67.01 -32.25 73.35 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.959 0.904 . . . . 74.01 110.986 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -77.87 -66.08 0.89 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 108.942 -0.762 . . . . 65.25 108.942 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.74 77.41 1.51 Allowed 'General case' 0 CA--C 1.563 1.473 0 C-N-CA 122.817 0.447 . . . . 73.24 111.982 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.489 1.494 0 C-N-CA 123.555 0.742 . . . . 70.31 112.16 166.645 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 112.787 0.662 . . . . 72.43 112.787 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -60.49 -38.28 83.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.454 0.702 . . . . 70.31 111.283 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 39.3 m -71.13 -43.68 67.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.687 0.795 . . . . 71.25 111.567 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.02 -37.76 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.007 0.367 . . . . 71.12 110.809 -174.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.3 -33.72 71.89 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.624 0.37 . . . . 72.11 110.041 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 4' ' ' THR . 57.5 t80 -57.6 -56.34 23.21 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.711 0.804 . . . . 71.3 110.47 171.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 99.7 mt -56.61 -55.02 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 124.361 1.064 . . . . 65.23 111.212 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -60.61 -52.43 65.19 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 114.571 -1.195 . . . . 72.43 111.043 -173.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 14' ' ' ILE . 78.6 mtm180 -74.65 -32.22 62.19 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 118.371 -0.823 . . . . 73.41 112.221 -170.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -64.41 -38.81 92.33 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 119.008 0.822 . . . . 72.11 110.378 171.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.6 -41.65 97.76 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 123.469 0.481 . . . . 72.23 110.043 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 30.9 mmt180 -59.44 -49.62 77.1 Favored 'General case' 0 C--N 1.362 1.132 0 O-C-N 123.689 0.618 . . . . 74.23 109.621 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' ARG . 97.1 mt -55.08 -41.82 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 124.543 1.137 . . . . 70.2 111.537 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.46 80.99 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.315 0.646 . . . . 61.02 111.522 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.98 -35.15 76.39 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.338 0.655 . . . . 53.34 111.13 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.0 mt -69.44 -53.52 18.87 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.798 0.839 . . . . 73.04 109.613 -177.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.479 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 50.9 p -56.98 -43.67 81.9 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 124.459 1.099 . . . . 70.51 111.231 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -56.1 -51.96 66.01 Favored 'General case' 0 C--O 1.245 0.839 0 O-C-N 124.26 0.975 . . . . 74.22 110.819 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.423 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 56.3 m -60.61 -58.27 9.17 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.026 0.829 . . . . 71.24 111.027 -177.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.627 ' HB2' HD12 ' A' ' 33' ' ' LEU . 3.7 pp -67.88 -22.56 65.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.158 0.583 . . . . 73.34 112.43 -173.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 74' ' ' ASN . 60.1 tp -64.05 -48.99 74.1 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.233 -0.654 . . . . 74.51 109.233 172.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.71 -36.61 84.42 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 114.528 -1.215 . . . . 64.13 110.455 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 32' ' ' LEU . 64.5 mt -70.6 -31.59 68.63 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.567 0.747 . . . . 72.22 111.504 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.448 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -71.1 -45.76 63.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.721 0.808 . . . . 62.12 111.002 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -72.24 -28.06 62.91 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.935 0.494 . . . . 63.52 110.678 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -68.88 -26.09 64.94 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.545 0.738 . . . . 72.35 110.419 171.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.01 3.18 68.19 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 116.206 -0.452 . . . . 42.42 112.996 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.08 82.22 2.92 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 109.347 -0.612 . . . . 72.25 109.347 174.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -65.25 -29.06 69.8 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.153 -0.93 . . . . 73.13 110.578 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.66 -51.26 70.71 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.337 1.055 . . . . 54.32 110.671 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 24' ' ' LEU . 79.0 mt -75.1 -33.82 61.65 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.223 -0.899 . . . . 63.42 111.088 -176.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 21' ' ' LEU . 48.9 tp -58.32 -52.64 64.76 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.922 0.889 . . . . 75.14 110.613 172.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.556 HD21 HD12 ' A' ' 443' ' ' LEU . 99.0 mt -70.03 -27.09 64.38 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.872 0.869 . . . . 45.24 111.782 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -62.27 -45.21 94.3 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.445 -0.576 . . . . 71.22 109.445 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 86.1 mm-40 -82.91 -13.07 56.77 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.343 -0.844 . . . . 73.53 111.736 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.48 -55.12 38.95 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.807 0.843 . . . . 64.22 110.956 174.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 m -56.68 -45.8 82.78 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 O-C-N 124.37 1.044 . . . . 54.14 111.094 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 p -67.89 -47.8 67.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.502 0.721 . . . . 70.43 110.669 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 30.0 t80 -59.29 -59.18 5.87 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.065 0.946 . . . . 71.3 112.099 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.98 -38.66 91.7 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 123.917 0.761 . . . . 60.54 110.68 -176.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -59.89 -42.59 94.11 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.288 0.367 . . . . 61.04 111.119 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.408 ' HA ' HG22 ' A' ' 46' ' ' THR . 71.9 m -63.4 -40.52 97.43 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.436 0.694 . . . . 72.35 111.451 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.423 HG23 HD21 ' A' ' 457' ' ' LEU . 68.1 mt -64.32 -44.54 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.093 0.473 . . . . 61.25 110.756 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.82 -34.89 67.14 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.093 -0.503 . . . . 74.52 111.768 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 43' ' ' SER . 11.0 t -74.47 -34.11 63.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.022 0.129 . . . . 74.51 110.775 -178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.01 -29.87 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 O-C-N 122.145 -0.347 . . . . 61.11 110.136 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' ' 51' ' ' GLN . 21.5 mmt -79.69 -11.3 59.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.312 0.645 . . . . 53.23 112.292 175.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.45 -31.69 70.16 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 109.196 -0.668 . . . . 74.51 109.196 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -90.0 -24.76 21.14 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.934 0.894 . . . . 64.51 110.43 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 48' ' ' MET . 9.1 tt0 61.44 -79.36 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.917 1.687 . . . . 63.51 109.958 -169.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.2 m -152.38 115.77 2.91 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 124.335 1.054 . . . . 70.25 108.256 172.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.96 139.64 91.75 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.27 1.98 . . . . 75.21 111.093 166.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.31 -21.37 61.52 Favored 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.449 2.1 . . . . 75.13 113.271 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.37 58.47 4.99 Favored Glycine 0 C--N 1.351 1.401 0 C-N-CA 122.67 0.176 . . . . 65.4 112.742 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mm -122.23 117.06 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.211 1.004 . . . . 61.21 108.8 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t -79.25 173.12 12.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.791 0.836 . . . . 73.33 110.488 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -23.95 65.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.345 0.658 . . . . 74.15 112.104 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 t -70.4 -56.87 5.61 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.587 -0.523 . . . . 74.42 109.587 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.23 -35.83 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.303 1.041 . . . . 50.22 110.988 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -57.66 -47.48 82.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.008 0.923 . . . . 51.01 110.628 175.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.78 -35.35 74.82 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 123.935 0.772 . . . . 72.23 110.819 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.4 mtp -60.33 -60.34 3.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.221 1.008 . . . . 73.25 110.644 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.8 m -70.59 -24.14 25.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.918 0 CA-C-N 115.236 -0.893 . . . . 74.02 111.066 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.37 93.57 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.71 -0.478 . . . . 64.24 109.71 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.95 -43.42 98.93 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 115.939 -0.573 . . . . 65.22 112.107 174.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -64.54 -41.65 96.21 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.22 0.608 . . . . 74.14 112.0 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 461' ' ' PHE . 61.8 mt -72.45 -37.06 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.59 -0.522 . . . . 70.1 109.59 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -63.68 -40.11 95.99 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 110.207 -0.294 . . . . 74.11 110.207 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.5 -50.16 73.83 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 115.882 -0.599 . . . . 72.33 110.229 174.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.36 -32.68 73.78 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.434 -0.803 . . . . 64.51 110.975 -173.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.75 -44.81 84.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.545 0.738 . . . . 73.42 110.255 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.73 -51.1 70.79 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.316 -0.856 . . . . 72.14 110.615 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' HA ' HD22 ' A' ' 22' ' ' LEU . 12.7 m120 -65.76 -44.78 84.84 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.231 -0.895 . . . . 64.23 111.212 -177.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.579 ' HA ' HD12 ' A' ' 78' ' ' LEU . 44.0 tt0 -70.02 -28.02 65.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.355 1.062 . . . . 73.31 112.037 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.22 -42.15 72.68 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.202 0.525 . . . . 63.31 109.721 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.8 -31.06 71.81 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.479 -0.782 . . . . 71.01 111.1 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.4 mt -62.31 -49.51 75.33 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.794 0.437 . . . . 60.13 110.047 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -51.9 -54.52 28.34 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 124.123 0.889 . . . . 75.54 110.458 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.71 -58.5 11.93 Favored Glycine 0 C--N 1.354 1.547 0 O-C-N 123.714 0.634 . . . . 64.32 113.876 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.83 -56.03 26.85 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.526 1.131 . . . . 64.45 110.635 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.469 HD22 HD23 ' A' ' 443' ' ' LEU . 77.4 mt -64.8 -35.18 80.28 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 118.621 -0.704 . . . . 73.01 110.931 -176.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -61.66 -39.54 91.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 118.358 0.526 . . . . 62.32 111.389 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 25.3 mt-30 -61.79 -50.61 71.67 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.609 -0.723 . . . . 71.41 110.144 174.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -44.24 92.13 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.06 0.944 . . . . 64.52 111.618 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.716 HD21 ' HB2' ' A' ' 443' ' ' LEU . 91.9 mt -69.82 -36.52 75.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.352 1.061 . . . . 74.21 111.696 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.22 -37.61 88.1 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.705 0.628 . . . . 73.35 109.815 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 39.8 mt-10 -65.12 -47.95 75.31 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 114.964 -1.016 . . . . 71.02 110.631 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.45 ' O ' HG13 ' A' ' 93' ' ' ILE . 97.1 mt -59.55 -41.03 89.19 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.445 0.698 . . . . 75.24 111.005 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.1 t -63.21 -40.52 97.71 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.399 1.08 . . . . 70.24 111.023 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 32.4 t -63.17 -45.54 91.32 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 115.385 -0.825 . . . . 72.14 110.009 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.446 ' O ' HG22 ' A' ' 96' ' ' VAL . 95.7 mt -60.13 -39.46 86.38 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.037 0.935 . . . . 72.11 111.426 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 89' ' ' LEU . 75.7 mt -62.25 -46.24 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.342 0.657 . . . . 75.01 109.471 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.76 -26.59 67.13 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 116.09 -0.505 . . . . 73.11 113.887 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.6 mm100 -82.5 -50.38 8.9 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.404 0.681 . . . . 70.52 111.346 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 92' ' ' LEU . 26.8 m -83.83 -44.63 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 C-N-CA 122.539 0.336 . . . . 70.45 111.804 -173.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HA ' HD11 ' A' ' 429' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 108.443 -0.947 . . . . 64.32 108.443 -178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 109.785 -0.45 . . . . 51.31 109.785 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -61.86 -43.02 99.7 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.152 0.581 . . . . 63.33 111.297 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.67 -52.38 52.06 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.127 0.892 . . . . 45.41 110.871 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.2 t -65.1 -39.56 93.3 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 123.827 0.704 . . . . 71.21 111.217 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.04 -38.57 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.125 0.57 . . . . 52.53 110.862 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.96 83.55 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.88 0.472 . . . . 75.11 110.485 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -73.22 -47.12 46.03 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 123.308 0.643 . . . . 73.33 111.221 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -61.98 -44.36 96.91 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 123.257 0.348 . . . . 75.35 111.151 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.31 -42.85 92.61 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.068 0.855 . . . . 71.3 110.397 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.91 -58.77 7.1 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.735 0.647 . . . . 60.01 110.715 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -63.09 -38.82 92.71 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.204 0.602 . . . . 74.23 111.235 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . 0.45 ' HA ' HD22 ' A' ' 86' ' ' LEU . 82.5 t80 -61.82 -62.49 1.76 Allowed 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.633 0.583 . . . . 64.02 109.486 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 59.7 m -56.63 -37.88 71.35 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.19 0.931 . . . . 60.33 112.059 -174.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -65.78 -54.17 30.53 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.398 0.679 . . . . 72.11 111.784 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.716 ' HB2' HD21 ' A' ' 86' ' ' LEU . 9.1 mp -71.17 -23.94 62.15 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.462 0.305 . . . . 71.43 111.309 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -79.8 -38.31 33.27 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.093 0.957 . . . . 63.35 111.349 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.0 t -75.46 -31.9 60.44 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.201 -0.666 . . . . 54.14 109.201 174.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.596 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.5 ttt -60.22 -41.76 93.74 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 109.218 -0.66 . . . . 71.4 109.218 170.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.538 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 27.6 ttm -64.9 -49.04 72.0 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.469 1.106 . . . . 65.44 112.286 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 20.6 p -63.42 -37.24 86.53 Favored 'General case' 0 C--O 1.242 0.694 0 O-C-N 123.647 0.592 . . . . 64.11 110.803 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -69.6 -46.02 67.26 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 115.967 -0.561 . . . . 75.33 110.921 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.596 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.3 pp -73.75 -18.25 61.0 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 117.842 0.292 . . . . 71.41 111.391 -175.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -80.4 -41.48 24.54 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.283 0.633 . . . . 54.15 109.396 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -61.36 -48.09 82.86 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 115.614 -0.721 . . . . 61.44 109.779 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.435 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 68.8 p -62.34 -56.71 15.75 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 118.014 -0.993 . . . . 72.01 109.64 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 67.1 p -50.18 -38.78 41.42 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.919 0.888 . . . . 61.44 112.654 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -57.87 -64.02 1.05 Allowed 'General case' 0 C--O 1.246 0.915 0 O-C-N 124.087 0.867 . . . . 73.31 110.884 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -72.68 -20.96 61.14 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.407 0.521 . . . . 75.31 112.407 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.423 HD21 HG23 ' A' ' 44' ' ' ILE . 35.6 mt -71.92 -42.51 66.61 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.779 0.832 . . . . 70.11 110.095 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.8 t -73.4 -34.33 65.46 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.546 0.529 . . . . 72.24 110.222 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -62.04 -49.23 76.81 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.486 0.491 . . . . 73.34 110.336 172.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -69.95 -37.42 75.85 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.015 -0.993 . . . . 74.34 110.598 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . 0.565 ' HB2' HG21 ' A' ' 68' ' ' ILE . 9.1 t80 -60.91 -57.11 14.02 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.296 1.038 . . . . 71.21 110.693 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 29.5 m -63.66 -29.41 70.65 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 123.912 0.758 . . . . 74.35 110.74 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -68.92 -52.04 33.53 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.242 0.617 . . . . 74.1 111.019 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 39.8 ttm -65.04 -35.79 82.28 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.395 0.678 . . . . 65.32 110.663 -174.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -78.6 -64.2 1.23 Allowed 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.433 -0.803 . . . . 62.4 108.946 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.07 81.1 1.96 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.638 0.775 . . . . 64.2 111.955 175.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.491 1.619 0 C-N-CA 123.58 0.752 . . . . 64.32 112.135 167.336 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.4 p . . . . . 0 N--CA 1.48 1.058 0 N-CA-C 111.938 0.347 . . . . 54.51 111.938 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 m -66.64 -32.1 73.2 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.876 0.47 . . . . 72.03 111.36 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 83.7 m -74.05 -39.59 63.4 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.758 -0.656 . . . . 73.14 111.647 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 p -75.36 -35.76 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 O-C-N 121.957 -0.465 . . . . 75.24 111.169 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.25 -33.76 72.02 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.717 -0.475 . . . . 73.4 109.717 175.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.469 ' HB3' ' O ' ' A' ' 4' ' ' THR . 38.8 t80 -52.56 -53.22 49.33 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.569 0.748 . . . . 72.12 110.129 168.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.482 HG12 HG23 ' A' ' 60' ' ' ILE . 80.2 mt -57.11 -62.52 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.742 0.817 . . . . 63.5 111.536 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 57.6 m-80 -61.28 -39.61 91.04 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.725 0.81 . . . . 41.14 112.542 -173.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 14' ' ' ILE . 69.2 mtm180 -76.82 -34.36 57.9 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 118.365 -0.826 . . . . 72.23 111.457 -175.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.415 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 48.1 m95 -61.62 -39.3 90.77 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 118.923 0.783 . . . . 71.22 110.062 170.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' ASN . 64.7 tt0 -57.72 -44.62 86.08 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 115.375 -0.83 . . . . 71.41 110.435 172.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 65.9 mmt-85 -62.65 -42.32 99.54 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 122.595 0.358 . . . . 71.21 110.37 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.9 mt -59.36 -44.48 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.764 0.826 . . . . 72.32 111.128 -176.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.2 67.9 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 112.249 0.462 . . . . 72.01 112.249 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.11 -40.22 86.81 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.722 0.409 . . . . 75.51 110.616 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 80.3 mt -70.28 -48.69 55.6 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 123.278 0.631 . . . . 72.21 109.809 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 69.2 p -55.81 -43.47 76.92 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.104 0.877 . . . . 64.31 111.339 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.9 -45.49 85.7 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.155 0.909 . . . . 62.33 110.71 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.9 m -61.6 -60.31 3.88 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.97 0.508 . . . . 75.21 111.034 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.594 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -67.36 -20.8 65.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.596 0.759 . . . . 64.22 112.035 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.87 -55.37 26.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.565 -0.531 . . . . 61.54 109.565 170.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 50.1 mt-10 -66.49 -27.19 67.59 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.337 1.023 . . . . 62.3 111.162 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 32' ' ' LEU . 85.8 mt -71.35 -49.83 38.37 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.669 0.788 . . . . 71.54 110.274 175.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -61.63 -37.15 82.94 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.756 0.822 . . . . 74.43 111.484 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -68.99 -43.38 74.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.571 -1.195 . . . . 65.45 110.488 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -78.38 -10.24 59.6 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.722 0.809 . . . . 65.21 109.96 178.317 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.63 -2.91 45.79 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 119.262 -0.743 . . . . 71.1 114.79 170.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.91 92.05 0.69 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.444 0.698 . . . . 75.24 110.925 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -75.37 -32.11 60.72 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.112 -0.495 . . . . 74.34 110.286 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.54 -57.22 13.64 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.943 0.897 . . . . 74.53 110.368 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.626 ' HB3' HD13 ' A' ' 24' ' ' LEU . 95.5 mt -69.3 -35.29 75.83 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 114.658 -1.155 . . . . 73.54 111.226 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 25' ' ' ALA . 52.8 tp -54.22 -58.73 6.28 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.128 0.571 . . . . 42.02 111.085 173.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.592 HD21 HD12 ' A' ' 443' ' ' LEU . 53.4 mt -71.0 -24.15 62.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.059 0.943 . . . . 74.33 111.698 -174.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -68.11 -41.64 81.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.821 0.848 . . . . 75.42 109.807 173.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.13 -22.83 35.95 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.254 0.621 . . . . 70.21 111.42 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.91 -55.38 14.65 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.138 1.375 . . . . 53.24 111.411 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.1 m -59.99 -42.09 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.369 -1.287 . . . . 65.13 111.05 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -69.89 -36.47 75.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.531 0.732 . . . . 73.53 111.106 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 29.7 t80 -67.96 -59.38 3.32 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.747 1.219 . . . . 62.55 111.043 -176.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.25 -37.37 87.25 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.674 0.79 . . . . 73.42 110.697 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.15 -47.53 74.98 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.217 0.607 . . . . 71.51 110.869 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.467 ' HA ' HG22 ' A' ' 46' ' ' THR . 69.5 m -61.08 -40.75 94.9 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 123.876 0.735 . . . . 72.14 111.602 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.462 HG23 HD21 ' A' ' 457' ' ' LEU . 65.7 mt -65.34 -44.83 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.322 0.582 . . . . 71.23 110.686 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.1 -31.54 66.14 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.784 -0.644 . . . . 73.02 111.591 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 43' ' ' SER . 5.5 t -82.89 -26.26 31.71 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.59 0.356 . . . . 55.5 111.256 -175.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.85 -36.72 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 109.656 -0.498 . . . . 61.24 109.656 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mmt -73.96 -16.03 61.09 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.2 0.6 . . . . 75.03 111.978 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.29 -31.34 70.72 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.514 0.726 . . . . 71.52 109.778 170.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -104.35 11.46 34.68 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.287 1.035 . . . . 72.12 109.937 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.579 ' HG3' ' H ' ' A' ' 52' ' ' THR . 6.3 pt20 38.16 -94.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.668 1.987 . . . . 64.15 112.988 -172.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.579 ' H ' ' HG3' ' A' ' 51' ' ' GLN . 92.1 m -150.61 112.25 3.19 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 106.002 -1.851 . . . . 65.24 106.002 174.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.437 ' O ' HG12 ' A' ' 56' ' ' ILE . 81.3 Cg_exo -51.37 153.04 10.71 Favored 'Trans proline' 0 C--N 1.378 2.079 0 C-N-CA 123.204 2.603 . . . . 72.21 113.398 176.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.12 -24.03 28.47 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.262 1.975 . . . . 64.21 111.957 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -94.04 60.75 1.96 Allowed Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.973 -0.558 . . . . 52.35 112.268 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.438 HD13 HG23 ' A' ' 4' ' ' THR . 48.5 mm -108.31 105.97 19.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.108 -1.071 . . . . 74.12 108.108 172.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.7 t -74.89 172.28 12.52 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.5 0.5 . . . . 73.22 110.2 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -26.52 67.05 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.209 0.604 . . . . 70.11 110.914 -171.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 63' ' ' MET . 40.5 t -70.85 -51.82 24.11 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.88 0.872 . . . . 72.3 110.327 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.482 HG23 HG12 ' A' ' 8' ' ' ILE . 93.4 mt -61.67 -44.77 99.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 123.994 0.809 . . . . 74.33 110.139 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.04 -41.25 96.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.819 1.248 . . . . 72.33 111.418 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.37 -45.14 77.17 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.425 0.69 . . . . 74.1 111.104 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' A' ' 59' ' ' SER . 51.4 mtm -59.67 -58.64 7.71 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.09 0.556 . . . . 65.1 110.501 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.563 HG23 ' SD ' ' A' ' 464' ' ' MET . 26.4 m -66.01 -31.2 52.63 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.813 0 CA-C-N 115.453 -0.794 . . . . 73.42 111.824 -175.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.38 82.97 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.294 0.497 . . . . 74.05 110.496 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.14 93.33 Favored Glycine 0 C--N 1.355 1.605 0 CA-C-N 116.069 -0.514 . . . . 72.53 111.992 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.448 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 31.8 m-85 -67.95 -36.74 80.62 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.319 0.648 . . . . 71.23 111.396 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 64' ' ' VAL . 74.5 mt -71.08 -40.94 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.295 -0.631 . . . . 65.52 109.295 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -58.89 -43.94 91.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.359 0.664 . . . . 62.42 110.768 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.84 -51.58 64.05 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.389 -0.823 . . . . 73.41 110.89 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 68' ' ' ILE . 4.7 t -65.47 -31.61 72.78 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 123.713 0.633 . . . . 75.11 110.992 -174.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.34 -44.44 79.06 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.463 0.705 . . . . 75.13 111.116 175.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.422 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 25.1 t70 -59.9 -50.19 74.73 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.208 0.943 . . . . 74.11 110.419 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -65.99 -44.86 83.6 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.481 -0.781 . . . . 74.42 110.888 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.632 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.2 tt0 -70.34 -24.74 63.04 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.227 1.011 . . . . 71.31 111.778 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -66.62 -48.99 67.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.453 0.701 . . . . 54.33 109.664 171.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 75.8 mt -66.18 -32.51 73.99 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.498 -0.774 . . . . 62.13 110.522 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.3 mt -62.83 -49.2 75.86 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.459 0.704 . . . . 73.51 110.304 172.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -52.42 -50.63 62.17 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.916 0.887 . . . . 71.03 111.256 -177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.48 -44.23 59.0 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.618 0.574 . . . . 64.43 113.627 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.85 -56.85 16.67 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.975 0.91 . . . . 73.1 109.686 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.27 -30.1 71.31 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 114.855 -1.066 . . . . 73.34 111.0 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.14 -44.56 96.34 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 118.265 0.484 . . . . 50.3 110.947 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -62.9 -49.9 73.0 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 124.148 0.905 . . . . 72.15 109.875 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.6 mmp_? -57.53 -54.19 49.64 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 124.123 0.89 . . . . 73.32 111.138 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 443' ' ' LEU . 89.5 mt -61.87 -35.52 78.55 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.108 0.963 . . . . 53.24 112.501 -178.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.44 -44.4 95.86 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.597 0.759 . . . . 70.31 109.726 176.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.1 mt-10 -68.86 -50.47 49.6 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.888 -1.051 . . . . 73.22 110.691 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 85.1 mt -57.97 -44.37 87.05 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.886 0.874 . . . . 70.43 110.288 -177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.2 t -61.59 -45.67 93.1 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.017 0.927 . . . . 71.2 111.074 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.3 t -59.48 -39.25 83.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.829 0.852 . . . . 61.24 110.837 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 96.3 mt -73.0 -42.5 63.2 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.507 -0.77 . . . . 72.23 111.695 -177.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 89' ' ' LEU . 91.4 mt -60.79 -38.5 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.091 0.556 . . . . 74.12 109.949 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.52 -21.95 63.14 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 115.841 -0.618 . . . . 34.33 113.937 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.61 -57.19 3.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.732 0.813 . . . . 61.25 111.534 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.4 m -77.29 -39.75 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 111.948 0.351 . . . . 72.12 111.948 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.8 tt . . . . . 0 N--CA 1.475 0.795 0 N-CA-C 108.203 -1.036 . . . . 63.54 108.203 -177.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.025 0 N-CA-C 109.093 -0.706 . . . . 73.22 109.093 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -62.09 -45.86 91.64 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.287 0.635 . . . . 74.24 110.525 171.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.9 mt-10 -60.56 -50.91 71.63 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.612 1.195 . . . . 75.14 110.765 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 1.9 t -67.32 -34.53 77.56 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 123.626 0.579 . . . . 63.23 110.811 -173.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.43 -49.27 84.99 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 N-CA-C 109.365 -0.606 . . . . 55.3 109.365 169.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.04 70.0 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.174 0.989 . . . . 61.31 112.352 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 18.3 mmt180 -70.7 -56.61 6.01 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.506 -0.553 . . . . 52.15 109.506 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -69.54 -24.68 63.76 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.309 -0.86 . . . . 70.11 111.545 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -72.87 -41.86 64.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.673 0.789 . . . . 62.31 109.712 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.88 -52.8 62.64 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.705 0.628 . . . . 73.13 110.067 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -62.3 -38.16 88.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.605 0.566 . . . . 64.53 111.109 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -64.52 -60.02 3.63 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 119.157 -0.449 . . . . 72.43 110.168 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 56.8 m -52.61 -43.65 65.49 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.196 0.998 . . . . 51.35 112.386 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -75.22 -46.51 33.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.683 0.793 . . . . 73.03 111.86 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.592 HD12 HD21 ' A' ' 34' ' ' LEU . 9.1 mp -69.71 -23.03 63.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.295 0.238 . . . . 72.33 110.691 175.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.58 -43.96 21.97 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.911 0.884 . . . . 62.1 111.413 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.8 t -67.73 -34.03 76.03 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.448 -0.575 . . . . 64.2 109.448 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.637 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.5 ttt -61.73 -47.81 83.55 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 123.694 0.621 . . . . 73.04 109.633 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.401 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 15.8 ttm -57.13 -51.36 69.62 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.246 1.018 . . . . 72.4 112.605 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 5.4 p -65.26 -39.91 93.25 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.624 0.578 . . . . 64.13 111.401 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -71.44 -38.07 71.38 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 119.055 -0.498 . . . . 73.04 111.271 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.637 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.2 pp -76.43 -19.25 58.28 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.197 0.453 . . . . 63.34 110.613 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -75.78 -44.77 39.74 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.931 0.892 . . . . 54.33 109.314 174.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -58.21 -50.35 73.84 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 114.476 -1.238 . . . . 41.3 110.27 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 48.9 p -62.96 -59.72 4.44 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 115.111 -0.95 . . . . 71.21 110.149 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 93.2 p -51.99 -32.34 33.25 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.568 0.747 . . . . 70.31 112.399 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.445 ' O ' HG22 ' A' ' 458' ' ' THR . 28.6 t -59.91 -65.07 0.74 Allowed 'General case' 0 CA--C 1.549 0.917 0 O-C-N 123.652 0.595 . . . . 62.44 110.886 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -72.05 -20.22 61.71 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.379 0.511 . . . . 54.22 112.379 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.462 HD21 HG23 ' A' ' 44' ' ' ILE . 64.5 mt -75.51 -39.6 58.26 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.663 0.785 . . . . 63.43 110.881 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 455' ' ' SER . 5.8 t -70.7 -36.68 73.39 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.897 -0.408 . . . . 74.13 109.897 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -63.83 -43.25 96.74 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 123.492 0.495 . . . . 53.13 110.204 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -66.96 -32.84 74.35 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.375 -0.829 . . . . 72.2 110.882 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -67.42 -52.66 36.99 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.896 0.479 . . . . 64.33 110.323 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 53.5 m -59.46 -39.5 83.83 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 124.136 0.898 . . . . 71.03 111.196 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 467' ' ' SER . . . -76.13 -52.01 11.0 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.873 0.469 . . . . 52.24 111.725 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.563 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.1 ttm -61.13 -33.21 73.03 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.926 0.49 . . . . 64.45 111.095 -177.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -81.01 -63.74 1.34 Allowed 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.057 -0.519 . . . . 73.3 109.935 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 79.57 1.85 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.52 0.563 . . . . 72.12 112.52 175.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 463' ' ' ALA . 9.8 t . . . . . 0 C--O 1.251 1.145 0 O-C-N 121.338 -0.851 . . . . 65.52 109.318 167.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.1 p . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 111.55 0.204 . . . . 50.42 111.55 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -62.78 -38.97 92.75 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.808 0.843 . . . . 53.11 111.405 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 8' ' ' ILE . 20.9 m -75.76 -35.75 60.06 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.661 -0.7 . . . . 73.41 111.658 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.38 -40.09 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 117.86 0.3 . . . . 64.23 110.817 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.06 -31.22 71.58 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 120.92 0.391 . . . . 53.54 110.133 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.511 ' HE1' HG23 ' A' ' 52' ' ' THR . 37.2 t80 -57.73 -53.35 59.23 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.349 1.06 . . . . 70.42 110.875 170.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 4' ' ' THR . 77.9 mt -52.71 -57.47 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 C-N-CA 123.85 0.86 . . . . 52.55 110.504 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 80.0 m-20 -59.09 -47.53 84.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 113.435 -1.712 . . . . 73.12 111.972 -171.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' HE ' HG12 ' A' ' 47' ' ' VAL . 28.2 mtm180 -70.48 -44.23 68.12 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 118.509 -0.758 . . . . 74.2 112.071 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -60.72 -36.36 78.65 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 118.554 0.615 . . . . 72.45 110.924 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.5 tt0 -60.47 -47.6 85.42 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.133 -0.939 . . . . 75.32 109.571 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 70.8 mmt-85 -63.13 -37.15 86.06 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.498 0.499 . . . . 63.04 111.025 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.7 mt -61.77 -42.84 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.581 0.752 . . . . 72.13 110.145 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -42.67 74.76 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.957 0.503 . . . . 73.33 112.026 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 96.3 mt -65.77 -40.53 92.11 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.307 0.643 . . . . 62.12 111.134 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 81.3 mt -73.44 -46.44 48.45 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.76 0.824 . . . . 71.0 110.351 -176.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 51.9 p -57.38 -42.32 81.93 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.883 0.74 . . . . 71.34 110.81 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -59.19 -51.25 70.8 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.29 0.994 . . . . 52.42 111.146 173.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 49.3 m -57.63 -53.29 59.81 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.494 0.718 . . . . 71.13 111.349 -177.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.715 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.0 pp -74.86 -20.53 59.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.545 -0.752 . . . . 73.22 111.691 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.59 -44.03 83.3 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.569 -0.53 . . . . 73.45 109.569 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.9 -47.99 83.0 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.769 -1.105 . . . . 71.35 109.857 173.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD13 ' HB3' ' A' ' 32' ' ' LEU . 58.1 mt -65.17 -33.8 76.86 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.715 0.806 . . . . 73.22 111.801 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -68.32 -48.69 64.21 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.57 0.748 . . . . 73.41 111.22 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.48 -27.71 63.43 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.219 -0.446 . . . . 75.03 111.16 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -75.54 -18.88 59.65 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.466 0.707 . . . . 65.2 111.382 175.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.44 5.45 72.22 Favored Glycine 0 C--N 1.345 1.079 0 O-C-N 123.185 0.303 . . . . 71.21 113.281 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 83.74 2.64 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.049 0.54 . . . . 72.3 109.91 172.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -74.43 -34.54 63.25 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.176 -0.92 . . . . 63.52 111.117 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.18 -44.25 97.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.295 0.638 . . . . 72.02 110.351 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HB3' HD13 ' A' ' 24' ' ' LEU . 83.9 mt -74.07 -34.88 64.18 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.347 -0.842 . . . . 74.12 111.023 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.715 HD12 ' HB2' ' A' ' 21' ' ' LEU . 51.1 tp -56.5 -47.29 79.6 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.666 0.786 . . . . 64.03 110.497 173.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.588 HD21 HD12 ' A' ' 443' ' ' LEU . 84.0 mt -75.36 -24.59 57.33 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.087 0.955 . . . . 65.22 111.824 -177.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.61 -38.05 88.34 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.971 -0.381 . . . . 72.53 109.971 172.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 62.2 mm-40 -82.55 -29.16 30.53 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.165 -0.471 . . . . 70.43 110.94 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.09 -61.12 1.58 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 125.259 1.424 . . . . 71.02 111.84 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.5 m -59.05 -45.26 92.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 114.474 -1.239 . . . . 52.22 111.85 -173.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.7 m -68.15 -42.3 80.32 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.578 0.751 . . . . 62.51 111.739 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.5 t80 -67.34 -57.59 6.35 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 124.849 1.26 . . . . 70.23 111.256 -174.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.08 -39.28 89.32 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.089 -0.96 . . . . 71.25 110.466 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -55.55 -45.23 77.3 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.437 0.695 . . . . 74.03 111.317 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.401 ' HA ' HG22 ' A' ' 46' ' ' THR . 70.8 m -63.06 -40.72 98.53 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.739 0.649 . . . . 73.23 111.171 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.469 HG23 HD21 ' A' ' 457' ' ' LEU . 64.7 mt -63.02 -46.32 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-O 121.652 0.739 . . . . 75.21 110.323 175.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -63.02 -39.61 95.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 114.983 -1.008 . . . . 71.23 111.445 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.41 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 7.0 t -83.79 -24.67 30.93 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.062 0.393 . . . . 74.21 112.062 -172.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.512 HG12 ' HE ' ' A' ' 10' ' ' ARG . 27.2 m -74.86 -34.42 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 CA-C-N 118.551 0.614 . . . . 75.32 110.158 172.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 mmt -77.64 -25.89 50.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.996 0.519 . . . . 75.2 111.585 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 38.6 tt0 -72.94 -31.15 64.4 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.6 0.76 . . . . 72.15 109.695 170.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.529 ' HD2' ' HG3' ' A' ' 53' ' ' PRO . 1.5 tmtm? -75.48 -2.29 28.14 Favored 'General case' 0 CA--C 1.56 1.34 0 CA-C-N 115.25 -0.886 . . . . 71.43 109.735 173.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 70.42 9.39 6.94 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.706 1.602 . . . . 73.43 111.807 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.511 HG23 ' HE1' ' A' ' 7' ' ' PHE . 63.7 m 56.11 93.84 0.05 OUTLIER Pre-proline 0 CA--C 1.557 1.235 0 C-N-CA 124.346 1.058 . . . . 43.01 109.966 -168.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.529 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 67.7 Cg_exo -50.22 116.47 2.49 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 123.142 2.561 . . . . 73.1 112.251 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -63.63 -11.9 28.6 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.203 2.602 . . . . 73.42 114.448 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.49 58.3 5.03 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 122.775 0.226 . . . . 72.11 113.248 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 53' ' ' PRO . 31.9 mm -114.16 127.5 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.187 0.995 . . . . 72.31 108.837 -177.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 t -75.56 166.91 22.85 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 109.526 -0.546 . . . . 71.51 109.526 173.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -25.61 66.51 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.399 0.68 . . . . 74.52 111.399 -174.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -69.68 -51.84 31.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.677 0.791 . . . . 62.51 110.118 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.662 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 87.6 mt -66.17 -39.59 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.225 -0.898 . . . . 73.13 110.388 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -55.0 -43.37 73.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.712 1.205 . . . . 74.21 110.822 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.76 -45.35 75.17 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.695 0.622 . . . . 54.23 111.101 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.662 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 34.3 mtm -56.76 -57.17 13.6 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.198 0.599 . . . . 72.15 110.828 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.61 HG23 ' SD ' ' A' ' 464' ' ' MET . 34.9 m -68.91 -30.29 46.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-N 115.475 -0.784 . . . . 71.55 111.946 -175.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.8 83.85 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.734 -0.469 . . . . 53.24 109.734 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -63.13 -46.92 92.23 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 115.264 -0.88 . . . . 51.32 111.786 172.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.88 -37.56 87.39 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.587 0.755 . . . . 71.24 112.636 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 64' ' ' VAL . 67.4 mt -69.7 -43.01 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 108.955 -0.757 . . . . 73.41 108.955 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -40.04 84.02 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.689 0.796 . . . . 75.23 110.457 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 28.7 mt-30 -63.17 -51.56 65.89 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.514 0.725 . . . . 73.11 110.156 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.67 -30.19 69.67 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.499 -0.773 . . . . 62.05 110.958 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.8 -43.62 79.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.805 0.842 . . . . 62.34 110.801 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.92 -54.19 49.74 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.207 0.942 . . . . 71.4 110.184 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.41 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 7.9 m120 -66.16 -40.88 90.87 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.254 -0.884 . . . . 71.31 111.226 -174.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.5 tt0 -74.9 -25.11 58.7 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.937 0.895 . . . . 72.01 111.429 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.62 -35.2 65.3 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.617 -0.512 . . . . 75.25 109.617 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.14 -32.56 69.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.749 -0.659 . . . . 73.23 110.48 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -63.76 -46.64 84.35 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.009 0.524 . . . . 71.43 109.865 171.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -53.18 -49.6 66.35 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.139 -0.937 . . . . 73.44 110.925 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.02 -47.7 30.02 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 123.519 0.512 . . . . 61.53 113.591 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.26 -57.57 11.85 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.114 0.966 . . . . 72.22 109.763 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.461 HD22 HD23 ' A' ' 443' ' ' LEU . 78.7 mt -65.52 -26.9 68.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.486 -0.779 . . . . 54.45 111.36 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -56.98 -49.76 74.75 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 118.476 0.58 . . . . 51.43 110.495 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -62.23 -49.52 75.41 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 124.426 1.079 . . . . 65.1 110.055 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 1.6 mmp_? -56.14 -52.59 63.78 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.791 0.837 . . . . 72.43 111.415 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 443' ' ' LEU . 98.1 mt -68.61 -32.35 72.18 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.951 0.9 . . . . 73.12 112.59 -177.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.97 -46.87 82.69 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 121.289 0.566 . . . . 63.01 109.996 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 41.6 mt-10 -61.56 -51.63 67.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.7 -1.137 . . . . 74.32 110.183 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 77.0 mt -57.97 -43.32 86.41 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.521 0.728 . . . . 75.43 111.157 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.6 t -62.28 -40.91 97.81 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.377 0.671 . . . . 61.32 110.997 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.6 t -65.43 -40.3 93.13 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.183 0.593 . . . . 72.54 110.808 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.2 mt -66.75 -42.07 86.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.837 0.855 . . . . 74.34 111.264 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.1 mt -65.64 -38.12 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.074 0.95 . . . . 70.32 109.707 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.56 -31.08 76.42 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 116.314 -0.403 . . . . 53.23 113.069 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.98 -40.19 24.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.217 0.607 . . . . 61.12 112.024 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.71 -32.02 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 112.813 0.672 . . . . 64.33 112.813 -168.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 108.642 -0.873 . . . . 73.25 108.642 -177.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 109.872 -0.418 . . . . 74.24 109.872 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -57.09 -40.88 77.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.577 0.751 . . . . 73.52 111.376 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 50.5 mt-10 -68.03 -52.38 36.11 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 124.032 0.832 . . . . 63.25 111.046 -176.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.2 t -66.59 -34.63 78.31 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.15 0.281 . . . . 33.11 111.008 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.61 -41.31 91.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 C-N-CA 122.584 0.354 . . . . 63.1 110.208 173.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.23 98.78 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.172 0.589 . . . . 71.05 111.808 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 27.8 mmt180 -68.78 -50.62 48.83 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.935 0.494 . . . . 64.41 110.406 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -71.29 -29.1 64.64 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.356 -0.838 . . . . 64.55 111.852 -177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -68.35 -43.5 77.33 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 109.421 -0.585 . . . . 74.15 109.421 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.96 -57.72 11.46 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 123.853 0.72 . . . . 60.22 109.932 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.15 -44.71 83.68 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.226 0.611 . . . . 73.41 111.696 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -62.91 -62.58 1.62 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.742 0.417 . . . . 71.32 110.739 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 37.6 m -63.52 -34.01 76.84 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.856 0.862 . . . . 73.2 112.372 -171.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.6 -46.18 66.89 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.388 0.675 . . . . 35.51 111.442 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.588 HD12 HD21 ' A' ' 34' ' ' LEU . 9.8 mp -73.79 -20.28 60.52 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.399 0.28 . . . . 75.42 110.947 175.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -79.77 -43.58 22.25 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.314 1.046 . . . . 74.14 110.909 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.0 t -69.14 -35.55 76.48 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.782 -0.821 . . . . 64.4 108.782 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.619 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -60.22 -44.09 95.45 Favored 'General case' 0 C--N 1.364 1.213 0 O-C-N 123.547 0.529 . . . . 72.04 109.874 172.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.507 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 35.7 ttm -62.36 -53.86 48.85 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.11 0.881 . . . . 74.33 112.371 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 26.0 p -60.06 -38.44 82.83 Favored 'General case' 0 C--O 1.247 0.953 0 O-C-N 123.553 0.533 . . . . 71.34 110.972 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.98 -49.84 64.14 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 115.597 -0.729 . . . . 74.24 110.835 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.619 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.1 pp -70.41 -19.34 63.01 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 123.132 0.27 . . . . 74.03 111.537 -174.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -75.11 -50.47 16.27 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.751 0.821 . . . . 72.04 109.178 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -61.87 -41.81 98.31 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 115.141 -0.936 . . . . 73.22 110.581 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 56.0 p -65.49 -56.64 11.3 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.557 -0.735 . . . . 70.22 109.718 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 88.9 p -53.25 -32.62 49.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.206 0.603 . . . . 64.12 112.096 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.9 t -60.38 -64.22 1.03 Allowed 'General case' 0 CA--C 1.55 0.958 0 O-C-N 123.771 0.669 . . . . 51.01 110.872 174.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -71.48 -21.36 61.95 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.474 0.546 . . . . 74.14 112.474 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.469 HD21 HG23 ' A' ' 44' ' ' ILE . 65.8 mt -73.79 -39.17 64.33 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.37 0.668 . . . . 65.14 110.755 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 8.0 t -74.36 -33.02 62.98 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 110.381 -0.229 . . . . 74.14 110.381 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.95 -41.56 82.29 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.93 0.492 . . . . 75.25 110.587 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -70.52 -33.67 71.45 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.324 0.65 . . . . 73.21 109.539 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -67.03 -37.26 83.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.347 0.659 . . . . 74.11 110.438 174.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 76.8 m -61.74 -39.71 92.52 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.462 0.305 . . . . 64.32 110.529 175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.23 -51.87 22.22 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.344 -0.389 . . . . 72.21 111.423 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.61 ' SD ' HG23 ' A' ' 64' ' ' VAL . 58.6 ttm -62.05 -33.14 73.83 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.856 0.862 . . . . 74.45 111.254 -176.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -79.83 -65.12 1.04 Allowed 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 108.74 -0.837 . . . . 70.55 108.74 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.4 79.96 1.8 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.119 0.568 . . . . 72.03 111.987 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 64.1 m . . . . . 0 C--O 1.253 1.276 0 C-N-CA 123.466 0.706 . . . . 73.23 111.58 166.101 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 p . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 112.38 0.511 . . . . 75.34 112.38 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -68.35 -35.13 77.29 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.338 0.655 . . . . 43.24 111.494 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.454 ' O ' HG13 ' A' ' 8' ' ' ILE . 41.4 m -71.57 -37.95 70.99 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.211 0.604 . . . . 75.45 111.685 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 p -79.53 -37.26 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.604 0.362 . . . . 74.43 110.614 -175.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.67 -33.69 75.42 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.757 -0.46 . . . . 73.1 109.757 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HE1' HG23 ' A' ' 52' ' ' THR . 53.4 t80 -55.06 -56.59 18.06 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.973 0.909 . . . . 64.04 110.434 169.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.533 HG12 HG23 ' A' ' 60' ' ' ILE . 81.3 mt -55.2 -60.75 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.821 0.848 . . . . 75.14 111.447 -178.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.472 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 63.5 m-80 -59.88 -45.33 92.85 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.291 0.994 . . . . 72.41 111.525 -173.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.3 mtm180 -72.44 -32.88 66.66 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.361 -0.828 . . . . 61.31 112.387 -174.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.435 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 57.2 m95 -64.13 -38.03 89.58 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 118.744 0.702 . . . . 75.13 110.325 171.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -62.81 -40.01 96.08 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.656 0.597 . . . . 75.53 110.157 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 34.1 mmt180 -61.26 -52.37 65.04 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 109.07 -0.715 . . . . 72.4 109.07 175.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.7 mt -52.67 -42.14 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.738 1.215 . . . . 74.15 111.491 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.62 65.06 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.777 0.831 . . . . 51.21 112.178 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.5 mt -74.39 -31.41 62.34 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.119 0.568 . . . . 53.13 111.239 -176.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.9 mt -71.93 -50.86 25.46 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 118.724 -0.655 . . . . 71.22 109.333 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.535 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 67.8 p -55.36 -44.64 76.19 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 124.248 0.967 . . . . 73.55 111.072 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.12 -48.47 81.49 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 124.283 0.989 . . . . 65.31 111.111 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -65.22 -53.15 48.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.275 0.63 . . . . 64.44 111.767 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.59 ' HA ' HD12 ' A' ' 24' ' ' LEU . 4.3 pp -69.8 -20.99 63.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.944 0.497 . . . . 72.35 111.54 -177.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.441 ' HG ' ' NE2' ' A' ' 26' ' ' GLN . 65.9 tp -64.09 -52.18 60.5 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.033 -0.729 . . . . 71.24 109.033 171.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.78 -37.82 66.5 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.168 0.987 . . . . 75.41 110.735 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 21' ' ' LEU . 70.6 mt -68.42 -44.38 75.12 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.139 0.976 . . . . 72.35 111.19 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -65.98 -38.36 88.34 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.298 0.639 . . . . 64.33 111.36 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.441 ' NE2' ' HG ' ' A' ' 22' ' ' LEU . 45.3 mt-30 -68.89 -33.1 73.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.587 0.755 . . . . 42.11 110.571 177.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.595 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -78.04 -14.21 59.59 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.885 0.874 . . . . 63.44 111.611 175.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.52 12.84 79.65 Favored Glycine 0 C--N 1.345 1.037 0 O-C-N 123.146 0.279 . . . . 54.44 113.25 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.595 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 25.6 mm-40 -77.5 86.79 3.85 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.972 0.909 . . . . 74.22 109.54 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -76.06 -35.22 59.53 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.234 -0.439 . . . . 75.52 110.929 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.57 -46.82 81.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.688 0.795 . . . . 74.44 109.888 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 24' ' ' LEU . 93.9 mt -68.97 -35.55 76.88 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 114.877 -1.056 . . . . 70.35 111.092 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 21' ' ' LEU . 61.8 tp -61.07 -49.54 76.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.751 0.82 . . . . 72.41 110.786 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.562 HD21 HD12 ' A' ' 443' ' ' LEU . 96.0 mt -68.87 -30.31 68.8 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.894 0.877 . . . . 73.54 111.402 -176.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -58.49 -44.73 89.5 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.199 0.523 . . . . 74.42 110.036 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -88.56 -11.58 45.21 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.243 -0.89 . . . . 73.23 112.387 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -54.42 -54.53 39.49 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.347 0.659 . . . . 74.12 111.165 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -62.73 -43.6 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.139 -0.937 . . . . 55.04 111.909 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.0 p -65.74 -45.07 84.0 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.187 0.595 . . . . 54.41 110.297 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.8 t80 -63.22 -64.68 0.84 Allowed 'General case' 0 C--O 1.242 0.709 0 C-N-CA 124.71 1.204 . . . . 64.23 112.145 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.38 -43.53 88.54 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.192 0.932 . . . . 62.52 111.058 -175.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.61 -41.22 98.85 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-O 119.344 -0.36 . . . . 41.23 110.923 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.9 m -59.07 -40.12 84.22 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.16 0.287 . . . . 71.1 111.482 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.588 HG23 HD21 ' A' ' 457' ' ' LEU . 68.0 mt -62.7 -50.0 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 121.75 0.786 . . . . 73.4 110.412 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.48 -35.77 81.55 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.879 -1.055 . . . . 74.32 111.577 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -83.82 -28.23 28.21 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 112.088 0.403 . . . . 75.41 112.088 -173.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.1 m -70.54 -29.15 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 118.603 0.638 . . . . 73.12 109.603 169.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.3 mmt -83.22 -15.03 52.02 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.118 0.567 . . . . 73.42 112.523 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.78 -31.26 71.03 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.316 -0.624 . . . . 74.42 109.316 165.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -91.99 6.56 45.86 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.973 -1.012 . . . . 75.12 110.747 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 46.32 26.98 0.52 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 126.797 2.039 . . . . 73.52 113.862 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.492 HG23 ' HE1' ' A' ' 7' ' ' PHE . 53.0 m 56.51 95.74 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 123.999 0.92 . . . . 74.3 110.366 -170.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.471 ' O ' HG12 ' A' ' 56' ' ' ILE . 12.1 Cg_endo -54.3 128.86 31.76 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.844 2.363 . . . . 64.43 111.049 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.37 -12.37 25.1 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.343 2.028 . . . . 65.21 113.573 -173.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.71 68.03 3.45 Favored Glycine 0 C--N 1.355 1.622 0 N-CA-C 111.493 -0.643 . . . . 74.14 111.493 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 53' ' ' PRO . 47.5 mm -126.79 119.87 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.59 1.156 . . . . 64.31 108.663 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -74.53 165.1 25.76 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.77 -0.455 . . . . 70.11 109.77 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.31 -20.48 65.62 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.884 0.474 . . . . 54.03 111.187 -173.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.3 t -70.68 -51.16 29.47 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.28 0.632 . . . . 55.12 110.622 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.533 HG23 HG12 ' A' ' 8' ' ' ILE . 83.3 mt -63.49 -42.25 95.56 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 123.347 0.659 . . . . 70.33 109.73 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -56.52 -41.45 76.77 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.848 1.259 . . . . 74.01 111.38 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -63.28 -49.02 75.7 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.375 0.67 . . . . 72.11 110.788 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.439 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 51.5 mtm -57.45 -55.79 30.29 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.88 0.737 . . . . 72.34 110.719 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.61 HG23 ' SD ' ' A' ' 464' ' ' MET . 31.2 m -70.89 -31.29 45.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.533 -0.758 . . . . 74.41 112.228 -172.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.55 -38.75 91.26 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.953 -0.388 . . . . 54.25 109.953 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.81 -41.13 99.91 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-N 115.862 -0.608 . . . . 65.11 111.774 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.5 m-85 -66.34 -37.3 85.02 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.343 0.657 . . . . 74.14 111.548 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 64' ' ' VAL . 59.2 mt -71.1 -38.55 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 109.332 -0.618 . . . . 64.33 109.332 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -58.08 -46.21 85.85 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.572 0.749 . . . . 73.45 109.413 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.75 -54.98 41.01 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.821 0.701 . . . . 71.21 110.302 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 68' ' ' ILE . 4.6 t -65.22 -31.29 72.39 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.272 -0.876 . . . . 74.35 111.686 -170.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.31 -48.15 68.44 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.073 0.549 . . . . 73.25 110.409 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.07 -52.99 63.36 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.649 0.78 . . . . 73.14 110.342 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -64.53 -44.32 91.21 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.97 -1.013 . . . . 35.04 111.166 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.562 ' HA ' HD12 ' A' ' 78' ' ' LEU . 43.5 tt0 -70.17 -26.29 63.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.861 0.865 . . . . 62.32 112.11 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -68.82 -42.4 77.31 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.136 0.493 . . . . 72.23 109.783 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.88 -33.19 74.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.296 -0.865 . . . . 75.3 110.785 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 75' ' ' GLU . 95.7 mt -62.32 -49.35 75.96 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.901 0.48 . . . . 74.32 109.748 172.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.02 -50.67 66.13 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.866 0.866 . . . . 74.13 111.092 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.29 -47.46 63.73 Favored Glycine 0 C--N 1.354 1.542 0 O-C-N 123.538 0.524 . . . . 55.44 113.754 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 26' ' ' GLN . 6.9 tt -64.86 -53.43 46.76 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.849 0.859 . . . . 63.04 110.139 -174.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.31 -30.21 71.04 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 123.432 0.693 . . . . 71.22 110.805 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -61.67 -41.81 98.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.836 0.454 . . . . 71.31 110.519 175.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.11 -45.53 93.05 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.569 -0.741 . . . . 75.13 110.757 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 8.2 mmp_? -61.01 -46.79 89.33 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.316 0.646 . . . . 74.53 111.126 -178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.77 -37.4 87.48 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.933 0.893 . . . . 72.44 111.262 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.01 -42.17 97.23 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 123.92 0.762 . . . . 75.43 110.668 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 72.2 mt-10 -70.11 -45.76 66.25 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.069 -0.969 . . . . 71.5 110.696 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.96 -35.83 79.62 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.791 0.436 . . . . 64.34 110.794 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 t -64.93 -43.65 92.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.61 0.764 . . . . 73.04 110.308 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 p -69.14 -33.44 73.45 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 123.244 0.34 . . . . 74.15 111.038 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 96' ' ' VAL . 94.9 mt -63.57 -62.21 1.81 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.833 0.453 . . . . 74.44 109.985 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 69.7 mt -54.97 -46.46 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.585 1.154 . . . . 75.05 111.146 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.83 -37.86 80.34 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 123.997 0.811 . . . . 75.22 113.972 -174.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -85.88 -41.62 14.81 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 122.941 0.496 . . . . 65.01 111.674 -176.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 433' ' ' VAL . 30.4 m -81.67 -35.85 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 N-CA-C 112.181 0.437 . . . . 71.41 112.181 -173.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 107.994 -1.113 . . . . 74.45 107.994 179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 433' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.896 0 N-CA-C 109.761 -0.459 . . . . 74.42 109.761 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.32 -46.88 84.61 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.425 0.69 . . . . 74.42 111.283 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.5 mt-10 -70.79 -35.51 72.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.332 -0.849 . . . . 73.25 111.749 -173.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.0 t -70.3 -38.66 75.04 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 110.168 -0.308 . . . . 65.31 110.168 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . 0.491 HG22 HG23 ' A' ' 96' ' ' VAL . 76.7 t -59.34 -41.12 83.24 Favored 'Isoleucine or valine' 0 C--N 1.364 1.222 0 O-C-N 123.458 0.474 . . . . 54.45 110.13 171.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.56 79.21 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.786 0.834 . . . . 40.15 111.096 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 439' ' ' GLN . 16.3 mmt180 -69.91 -47.03 64.08 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.107 -0.331 . . . . 72.44 110.107 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -61.65 -42.94 99.59 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 123.638 0.586 . . . . 71.41 111.438 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -73.34 -30.63 63.46 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.966 0.792 . . . . 73.34 110.542 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.0 -53.24 58.36 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.389 -0.597 . . . . 64.3 109.389 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 23.9 mm-40 -61.6 -38.01 86.03 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.618 -0.719 . . . . 51.23 110.246 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -65.36 -63.37 1.12 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.956 -0.566 . . . . 60.14 110.081 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 76.9 m -61.05 -35.95 78.3 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.38 1.072 . . . . 71.51 112.288 -172.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.01 -47.95 60.04 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.188 0.595 . . . . 74.44 111.523 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.562 HD12 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -72.06 -19.85 61.76 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 122.5 0.32 . . . . 74.53 111.36 176.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.58 -46.77 24.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.651 1.181 . . . . 63.44 110.39 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.1 t -70.8 -33.88 71.18 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 109.765 -0.457 . . . . 73.21 109.765 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.49 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.2 ttt -59.49 -44.27 93.11 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 123.344 0.657 . . . . 63.32 110.167 173.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.56 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 26.8 ttm -65.5 -48.16 73.52 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.971 0.909 . . . . 73.24 112.511 -176.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 13.7 p -61.94 -39.26 91.5 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.6 0.562 . . . . 73.42 110.685 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -66.95 -45.18 78.55 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 115.771 -0.649 . . . . 73.4 111.143 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.56 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 3.1 pp -75.02 -17.8 60.45 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 118.052 0.387 . . . . 72.41 111.71 -175.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.66 -45.24 38.18 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.005 -0.739 . . . . 64.4 109.005 173.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -59.02 -47.13 86.31 Favored 'General case' 0 C--O 1.254 1.338 0 C-N-CA 124.131 0.972 . . . . 75.24 110.55 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 456' ' ' TYR . 68.0 p -62.15 -57.17 12.53 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.329 -0.851 . . . . 64.44 110.009 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 63.0 p -50.27 -36.81 33.0 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.002 0.921 . . . . 53.01 112.337 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 42.5 m -56.68 -68.32 0.23 Allowed 'General case' 0 CA--C 1.551 1.012 0 O-C-N 123.988 0.805 . . . . 62.15 111.117 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 4.9 p90 -71.82 -20.39 61.84 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 113.202 0.815 . . . . 75.4 113.202 -174.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 44' ' ' ILE . 58.8 mt -71.25 -45.76 62.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.616 0.766 . . . . 71.53 110.486 178.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.3 t -70.11 -31.77 69.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 123.487 0.492 . . . . 72.21 110.643 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -64.1 -50.79 66.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.236 0.614 . . . . 54.03 110.769 173.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -61.4 -33.98 74.59 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 114.771 -1.104 . . . . 72.23 110.426 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -69.74 -41.41 75.3 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 123.852 0.861 . . . . 71.54 111.056 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 23.8 m -60.26 -43.92 95.75 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.493 0.496 . . . . 35.31 110.538 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -70.86 -50.02 39.82 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.909 -0.587 . . . . 62.23 111.435 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.61 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.3 ttm -63.16 -32.32 73.68 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.498 0.719 . . . . 60.55 111.65 -175.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -81.21 -60.03 2.43 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.611 -0.722 . . . . 63.33 109.102 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.2 77.0 1.51 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.506 0.67 . . . . 64.14 111.786 177.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 CA--C 1.561 1.385 0 C-N-CA 123.201 0.601 . . . . 70.11 111.388 165.446 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.7 p . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 111.91 0.337 . . . . 75.21 111.91 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -58.65 -45.55 89.08 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.408 1.083 . . . . 72.11 111.118 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.508 ' O ' HG13 ' A' ' 8' ' ' ILE . 13.8 m -72.9 -37.44 67.25 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.226 -0.897 . . . . 45.03 111.761 -174.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.2 p -75.14 -41.19 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 117.871 0.305 . . . . 63.33 111.147 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.91 -33.75 76.26 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 110.111 -0.329 . . . . 74.01 110.111 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 4' ' ' THR . 40.3 t80 -52.71 -53.84 42.01 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.337 1.055 . . . . 72.02 110.312 168.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.547 HG12 HG23 ' A' ' 60' ' ' ILE . 75.9 mt -55.81 -55.53 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.911 0.884 . . . . 71.0 111.325 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 55.3 m-80 -56.92 -49.4 75.73 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.039 0.837 . . . . 73.24 111.653 -176.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.593 HH22 ' HG2' ' A' ' 50' ' ' LYS . 35.9 mtm180 -65.96 -42.8 89.46 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.752 0.657 . . . . 52.13 111.7 -174.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -63.44 -37.12 86.06 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.931 0.332 . . . . 64.15 111.148 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.14 -43.39 95.75 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.476 0.485 . . . . 65.02 109.968 173.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 34.3 mmt-85 -58.84 -52.92 63.66 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 109.541 -0.54 . . . . 65.14 109.541 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.0 mt -55.05 -39.33 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.315 1.046 . . . . 64.25 111.308 -176.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.55 63.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.414 0.685 . . . . 50.02 112.377 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.47 -38.73 84.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.282 0.633 . . . . 71.21 110.484 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.8 mt -69.72 -49.5 52.64 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 115.232 -0.895 . . . . 75.44 109.605 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.425 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 77.2 p -55.02 -44.04 74.21 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.249 0.62 . . . . 71.04 111.292 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.81 -52.54 62.77 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 123.974 0.796 . . . . 61.33 111.205 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -62.69 -46.05 89.96 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.405 0.441 . . . . 61.35 112.116 -173.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.564 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.4 pp -73.85 -26.15 60.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.623 0.369 . . . . 73.53 111.874 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.41 -44.38 96.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.025 0.441 . . . . 75.3 110.111 173.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.65 -42.44 98.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.937 -1.029 . . . . 75.25 110.221 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 21' ' ' LEU . 72.6 mt -64.27 -35.53 81.15 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.416 0.687 . . . . 71.21 111.122 177.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.513 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -69.76 -49.83 49.26 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.69 0.796 . . . . 73.42 111.531 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -70.97 -26.45 63.17 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.128 0.571 . . . . 71.41 111.115 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -73.84 -26.61 60.68 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.901 0.48 . . . . 74.22 111.104 173.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.47 3.26 55.4 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 123.356 0.41 . . . . 63.32 113.215 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.01 81.43 1.71 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.708 0.803 . . . . 72.52 109.661 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -71.93 -34.81 69.34 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.442 -0.799 . . . . 72.51 110.698 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.68 -43.01 99.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.938 0.895 . . . . 72.22 110.38 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.6 mt -78.66 -31.2 46.65 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.845 -1.07 . . . . 74.42 110.73 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 21' ' ' LEU . 47.6 tp -60.5 -46.37 90.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.421 0.689 . . . . 71.31 110.335 172.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 443' ' ' LEU . 85.8 mt -74.35 -26.71 60.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.229 1.012 . . . . 64.15 110.787 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -61.02 -40.48 93.76 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.0 -0.545 . . . . 62.41 109.796 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -85.62 -22.94 27.74 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.511 -0.768 . . . . 73.13 111.83 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -51.88 -48.93 63.85 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.315 1.046 . . . . 71.45 111.213 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -56.87 -52.56 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 124.176 0.923 . . . . 75.04 111.386 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.9 p -69.69 -39.08 77.16 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.656 0.782 . . . . 61.03 111.326 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.9 t80 -65.7 -62.96 1.22 Allowed 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.442 1.097 . . . . 70.14 111.775 -174.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.0 -34.99 79.25 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.687 -0.688 . . . . 51.54 110.569 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.53 -43.78 89.35 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.688 0.395 . . . . 64.34 111.169 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.525 ' HA ' HG22 ' A' ' 46' ' ' THR . 73.1 m -66.29 -36.53 83.21 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.481 0.488 . . . . 73.13 111.684 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.594 HG23 HD21 ' A' ' 457' ' ' LEU . 62.9 mt -66.27 -44.83 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 121.944 0.878 . . . . 64.21 110.231 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.29 -36.04 82.82 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.884 -1.053 . . . . 73.21 111.196 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.5 t -81.83 -31.2 31.8 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 119.067 -0.492 . . . . 70.43 112.119 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.0 m -67.01 -39.16 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 118.895 0.771 . . . . 73.41 110.288 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 25.1 mmt -79.78 -25.45 40.96 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.289 -0.414 . . . . 71.22 111.985 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.95 -30.0 63.52 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.277 -0.638 . . . . 55.25 109.277 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HG2' HH22 ' A' ' 10' ' ' ARG . 50.0 tptt -73.88 -0.23 15.37 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.978 0.911 . . . . 53.15 110.76 171.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 72.53 10.51 5.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.832 1.653 . . . . 73.03 111.245 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 58.2 m 51.99 94.12 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.886 1.274 . . . . 70.41 110.521 -170.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 52' ' ' THR . 10.1 Cg_endo -50.28 120.32 6.1 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 123.232 2.622 . . . . 74.43 111.926 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -80.92 -4.21 12.62 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 123.124 2.549 . . . . 64.24 114.772 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.99 62.84 4.58 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 112.184 -0.366 . . . . 64.44 112.184 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.4 mm -120.47 123.25 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.546 1.139 . . . . 74.05 109.737 -169.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -76.12 167.52 21.71 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.708 0.403 . . . . 64.22 110.069 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.435 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -66.37 -28.15 68.43 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.111 0.564 . . . . 71.21 111.853 -171.65 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.7 m -69.94 -48.22 59.27 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.235 0.614 . . . . 64.3 110.685 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.547 HG23 HG12 ' A' ' 8' ' ' ILE . 99.1 mt -68.9 -40.48 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 114.958 -1.019 . . . . 63.44 110.523 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.81 -36.1 80.15 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.537 1.135 . . . . 73.52 110.846 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.2 -39.52 68.54 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.604 -0.725 . . . . 52.22 110.64 177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.434 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 53.3 mtm -57.72 -54.48 46.37 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.156 0.503 . . . . 75.14 110.241 176.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.637 HG23 ' SD ' ' A' ' 464' ' ' MET . 33.0 m -74.8 -25.41 18.8 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 CA-C-N 115.143 -0.935 . . . . 62.51 112.104 -173.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.85 85.41 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.56 -0.533 . . . . 61.0 109.56 170.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.7 -42.49 97.2 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 115.711 -0.677 . . . . 72.11 112.312 171.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.79 -37.59 82.24 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.163 0.585 . . . . 64.11 111.921 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 64' ' ' VAL . 73.5 mt -72.08 -38.89 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.898 -0.779 . . . . 71.32 108.898 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.15 -38.45 79.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.981 0.512 . . . . 72.12 110.755 174.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -63.5 -53.25 55.0 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 123.407 0.442 . . . . 71.11 110.641 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 68' ' ' ILE . 14.5 t -65.91 -30.91 71.58 Favored 'General case' 0 C--O 1.211 -0.966 0 O-C-N 123.589 0.555 . . . . 75.2 111.084 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.68 -45.93 73.78 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.806 0.442 . . . . 73.14 111.272 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.6 -52.24 66.0 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.823 0.702 . . . . 74.31 110.151 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -67.33 -41.67 84.87 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.304 -0.862 . . . . 62.31 111.287 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.472 ' HA ' HD12 ' A' ' 78' ' ' LEU . 34.2 tt0 -77.88 -20.91 52.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.688 0.795 . . . . 55.25 111.478 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -68.9 -40.38 79.16 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.382 0.673 . . . . 63.45 109.794 168.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.8 -32.95 65.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.381 -0.827 . . . . 71.14 110.715 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 75' ' ' GLU . 90.6 mt -65.98 -38.43 88.53 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.998 0.519 . . . . 75.21 109.889 171.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -59.32 -58.22 9.57 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 116.091 -0.504 . . . . 73.02 110.069 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -61.49 -48.62 83.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 123.977 0.798 . . . . 73.31 113.201 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.68 -56.81 11.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.672 0.789 . . . . 74.14 110.534 -173.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.52 -29.43 69.51 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.418 0.449 . . . . 73.33 111.445 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.24 -41.17 94.61 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 122.776 0.431 . . . . 72.4 110.941 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 28.5 mt-30 -64.28 -44.49 91.52 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.684 -0.689 . . . . 75.21 110.028 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 2.4 mmp_? -58.84 -47.18 85.76 Favored 'General case' 0 C--O 1.208 -1.107 0 O-C-N 123.971 0.794 . . . . 74.44 110.428 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.85 -35.93 82.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.51 0.724 . . . . 71.54 111.666 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.07 -46.28 91.31 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-O 121.385 0.612 . . . . 72.52 110.397 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.6 mt-10 -65.83 -54.06 31.75 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.723 -1.126 . . . . 74.44 110.527 178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 90.3 mt -56.01 -43.05 77.36 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.3 1.04 . . . . 62.44 110.794 -177.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -59.9 -47.07 87.26 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.46 0.704 . . . . 74.04 110.86 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.507 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 21.3 t -63.5 -42.58 98.5 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.845 0.715 . . . . 72.44 110.667 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 95.9 mt -61.26 -47.96 83.63 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.032 0.933 . . . . 62.43 111.467 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.6 -41.01 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.133 0.973 . . . . 74.12 109.805 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.18 -34.31 88.69 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-N 115.757 -0.656 . . . . 73.21 113.29 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 91' ' ' SER . 12.6 mm100 -78.88 -35.35 43.82 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.113 0.565 . . . . 72.35 111.728 -176.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.8 -40.64 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 N-CA-C 112.306 0.484 . . . . 72.11 112.306 -173.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tt . . . . . 0 N--CA 1.479 1.011 0 N-CA-C 107.048 -1.464 . . . . 55.41 107.048 173.526 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.568 -0.16 . . . . 53.33 110.568 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.17 -48.82 80.18 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.798 0.839 . . . . 64.4 111.162 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.2 mt-10 -63.16 -52.6 61.79 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 124.07 0.856 . . . . 74.52 111.247 -176.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.1 t -65.2 -42.23 93.74 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 123.303 0.377 . . . . 74.54 111.338 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 49.2 t -60.19 -43.35 93.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 109.643 -0.503 . . . . 50.01 109.643 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -60.81 -33.57 73.2 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.669 0.605 . . . . 35.41 112.133 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 21.3 mmt180 -73.68 -54.43 8.12 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.615 0.366 . . . . 73.31 110.499 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -66.02 -32.36 73.78 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.914 -0.584 . . . . 75.02 111.667 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -78.57 -37.88 41.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.866 0.866 . . . . 61.21 110.844 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.89 52.58 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.56 -0.533 . . . . 74.25 109.56 173.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -62.83 -33.63 75.63 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.927 -0.578 . . . . 72.12 111.246 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.09 -61.13 2.69 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 110.062 -0.347 . . . . 72.45 110.062 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 46.2 m -61.19 -35.73 77.97 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.929 0.892 . . . . 72.52 112.4 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.09 -47.84 55.9 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.585 0.754 . . . . 75.34 111.474 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.621 HD12 HD21 ' A' ' 34' ' ' LEU . 10.9 mp -70.85 -19.29 62.66 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.648 0.379 . . . . 64.5 111.042 174.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.22 -44.71 17.39 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.68 0.792 . . . . 72.22 111.253 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.9 t -66.72 -35.35 79.9 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.898 -0.779 . . . . 44.11 108.898 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.597 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.2 ttt -62.54 -42.44 99.53 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 123.5 0.5 . . . . 72.51 110.285 172.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -53.52 57.19 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.195 0.998 . . . . 54.11 112.068 -177.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 23.7 p -65.29 -40.95 94.52 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 115.372 -0.831 . . . . 53.12 110.986 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -66.48 -44.54 82.4 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.607 -0.724 . . . . 75.42 111.147 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.597 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -72.4 -25.82 61.63 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.692 0.282 . . . . 74.52 110.604 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -67.95 -50.53 55.37 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 123.601 0.761 . . . . 64.44 109.72 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.49 -43.62 96.72 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.207 -0.906 . . . . 63.32 110.954 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.532 ' HB ' HG21 ' A' ' 44' ' ' ILE . 37.3 p -61.12 -62.86 1.54 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 116.022 -0.535 . . . . 65.25 110.0 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 81.1 p -52.87 -32.25 43.86 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.665 0.786 . . . . 64.24 112.225 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.3 t -60.1 -59.7 5.0 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 123.592 0.557 . . . . 63.44 111.234 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 2.6 p90 -73.51 -20.91 60.54 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 112.312 0.486 . . . . 74.5 112.312 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.594 HD21 HG23 ' A' ' 44' ' ' ILE . 73.9 mt -68.59 -41.25 79.89 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.093 0.557 . . . . 54.21 110.578 175.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.5 t -77.3 -28.0 53.14 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.014 0.196 . . . . 73.13 111.313 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.11 -53.22 60.36 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.647 0.737 . . . . 73.51 109.659 168.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.86 -34.56 77.62 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 114.122 -1.399 . . . . 70.21 111.074 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.41 -50.85 57.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.303 0.641 . . . . 74.21 111.062 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 25.6 m -62.7 -33.97 76.2 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 123.736 0.647 . . . . 73.2 110.664 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -70.59 -47.25 61.1 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.26 0.624 . . . . 64.04 111.518 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.637 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.2 ttm -70.63 -27.73 64.28 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.035 0.934 . . . . 43.12 111.179 -174.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -85.07 -60.81 1.93 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 108.512 -0.921 . . . . 74.24 108.512 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.21 78.53 1.65 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.828 0.451 . . . . 71.34 111.783 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.253 1.27 0 C-N-CA 123.58 0.752 . . . . 74.32 111.401 163.467 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.5 p . . . . . 0 N--CA 1.484 1.23 0 N-CA-C 112.402 0.519 . . . . 72.24 112.402 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -65.43 -38.47 89.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.558 0.743 . . . . 74.11 111.283 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.479 ' O ' HG13 ' A' ' 8' ' ' ILE . 46.3 m -73.68 -37.26 65.28 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.219 -0.9 . . . . 74.3 111.49 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.8 -41.32 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 117.928 0.331 . . . . 60.31 111.007 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.78 -34.62 78.77 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 109.987 -0.375 . . . . 72.15 109.987 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' A' ' 4' ' ' THR . 69.9 t80 -57.2 -55.16 38.31 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.912 0.885 . . . . 72.11 110.955 172.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.509 HG12 HG23 ' A' ' 60' ' ' ILE . 82.0 mt -54.94 -60.33 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 124.236 1.014 . . . . 54.31 111.185 -177.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 38.7 m-80 -60.2 -49.24 78.41 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.774 -1.103 . . . . 74.1 111.846 -174.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 14' ' ' ILE . 84.1 mtm180 -68.0 -35.75 78.85 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 118.451 -0.785 . . . . 74.15 112.353 -173.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -63.13 -40.42 97.55 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.582 0.628 . . . . 75.4 110.898 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.83 -41.96 92.52 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.589 0.556 . . . . 74.24 110.501 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 23.3 mmt180 -61.98 -48.55 79.85 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.703 0.627 . . . . 75.54 110.334 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.4 mt -55.0 -42.19 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 124.468 1.107 . . . . 72.34 110.759 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -69.15 -42.16 76.32 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.983 0.913 . . . . 71.42 112.131 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.52 -39.89 85.08 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.235 0.614 . . . . 64.13 110.373 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.3 mt -66.04 -50.5 63.97 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.866 0.866 . . . . 70.33 109.774 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.515 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 52.7 p -56.41 -44.82 80.7 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 124.579 1.174 . . . . 55.53 111.186 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -62.55 -51.06 68.86 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.98 0.8 . . . . 72.32 111.243 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.1 m -59.31 -51.61 69.21 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.79 0.682 . . . . 73.45 111.595 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.548 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.5 pp -74.69 -19.59 60.2 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.067 0.547 . . . . 73.35 111.876 -177.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -63.52 -47.18 82.72 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.295 -0.631 . . . . 60.4 109.295 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.58 -34.58 78.57 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.07 -0.968 . . . . 74.11 110.534 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.97 -44.43 69.49 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.731 0.812 . . . . 73.21 111.418 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.548 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -61.31 -41.92 97.8 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.681 0.792 . . . . 74.35 110.237 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.87 -33.77 74.33 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.752 -1.113 . . . . 74.5 111.076 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.628 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -79.47 -8.51 59.18 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.714 0.806 . . . . 70.33 111.333 178.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.83 9.54 86.19 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 123.181 0.3 . . . . 63.24 112.904 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.628 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 10.9 mm-40 -77.0 80.71 3.53 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.296 -1.002 . . . . 45.32 108.296 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -72.22 -40.3 67.9 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.213 0.605 . . . . 64.53 111.094 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.46 -41.16 98.62 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.649 0.593 . . . . 64.5 110.391 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.59 -33.34 62.62 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.39 -0.823 . . . . 64.34 111.064 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 21' ' ' LEU . 49.9 tp -60.59 -50.59 72.91 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.85 0.86 . . . . 74.34 110.126 174.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.462 HD21 HD12 ' A' ' 443' ' ' LEU . 78.7 mt -72.38 -26.34 61.85 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.429 1.092 . . . . 73.21 111.369 -176.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -61.01 -40.97 95.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.085 0.954 . . . . 51.11 109.986 172.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -88.94 -23.53 22.66 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.657 -0.702 . . . . 74.44 111.69 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -49.48 -57.89 6.19 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.109 1.364 . . . . 73.25 111.487 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.0 m -57.45 -45.18 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 124.708 1.255 . . . . 73.32 110.751 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.5 m -60.64 -45.83 92.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.982 0.913 . . . . 50.51 110.34 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.6 t80 -69.93 -64.43 0.89 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.13 1.372 . . . . 74.31 111.962 -171.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.85 -39.44 81.29 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.123 0.89 . . . . 74.4 111.02 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -65.62 -40.07 92.17 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.593 0.357 . . . . 61.31 111.316 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.2 m -60.63 -39.8 89.61 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.524 0.515 . . . . 74.11 111.394 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.668 HG23 HD21 ' A' ' 457' ' ' LEU . 69.6 mt -63.4 -48.91 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 121.163 0.506 . . . . 73.1 110.406 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.13 -42.3 90.28 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.079 -0.964 . . . . 61.35 111.515 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 t -77.45 -35.58 53.77 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 112.21 0.448 . . . . 73.45 112.21 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.96 -30.03 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 CA-C-N 118.446 0.566 . . . . 74.23 110.545 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.547 ' HE2' HD23 ' A' ' 457' ' ' LEU . 23.0 mmt -85.61 -19.75 30.54 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.165 0.586 . . . . 64.23 112.117 176.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -72.98 -28.01 62.14 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.086 -0.709 . . . . 74.25 109.086 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -68.71 -15.47 63.53 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 114.739 -1.119 . . . . 74.23 110.844 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 70.78 9.35 6.81 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.285 1.434 . . . . 74.12 111.143 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.413 HG23 ' CE1' ' A' ' 7' ' ' PHE . 83.3 m 65.07 109.32 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.41 0 C-N-CA 124.601 1.16 . . . . 73.24 110.648 -172.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.532 ' HG2' HD11 ' A' ' 56' ' ' ILE . 19.7 Cg_endo -56.22 132.63 53.07 Favored 'Trans proline' 0 C--N 1.381 2.28 0 C-N-CA 122.877 2.385 . . . . 72.01 112.458 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 41.9 Cg_exo -60.77 -27.32 84.62 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 123.117 2.545 . . . . 71.12 114.202 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -85.71 60.54 4.66 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.462 -0.336 . . . . 24.11 113.439 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.532 HD11 ' HG2' ' A' ' 53' ' ' PRO . 39.8 mm -114.38 113.59 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.825 0.85 . . . . 63.01 108.854 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.3 t -74.27 169.85 16.78 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.971 0.508 . . . . 73.54 110.094 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -66.27 -25.82 67.05 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.141 0.576 . . . . 70.42 111.652 -171.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -75.65 -44.69 41.21 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.365 0.666 . . . . 74.14 110.887 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 8' ' ' ILE . 95.6 mt -67.31 -43.9 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.584 0.754 . . . . 75.11 109.641 176.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -54.64 -40.29 68.85 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.163 1.385 . . . . 54.05 111.237 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.38 -48.12 68.35 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.8 0.84 . . . . 73.44 110.987 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.422 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 59.1 mtm -58.36 -53.59 56.54 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.587 0.554 . . . . 73.51 110.32 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 68' ' ' ILE . 20.4 m -71.3 -25.89 25.96 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 CA-C-N 115.029 -0.987 . . . . 63.34 111.742 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.27 87.05 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.65 0.659 . . . . 61.33 109.778 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.65 -44.36 97.64 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 123.911 0.757 . . . . 72.25 111.737 170.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -67.52 -32.28 72.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.722 0.809 . . . . 72.32 112.257 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.563 ' HA ' HG22 ' A' ' 71' ' ' THR . 86.8 mt -75.43 -37.34 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 108.909 -0.775 . . . . 74.13 108.909 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -64.24 -33.01 74.82 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.375 0.27 . . . . 73.25 110.443 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.512 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 28.3 mt-30 -69.08 -51.91 33.87 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.092 0.557 . . . . 62.21 110.768 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 68' ' ' ILE . 14.0 t -64.01 -35.35 80.43 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.441 0.463 . . . . 55.13 110.775 -175.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.72 -44.24 74.28 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.443 0.697 . . . . 41.01 111.421 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.76 -54.77 42.42 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.933 0.77 . . . . 64.1 110.56 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.408 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 9.4 m120 -68.14 -38.59 82.34 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.239 -0.892 . . . . 70.15 110.847 -173.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.1 tt0 -75.66 -25.15 56.54 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.702 0.801 . . . . 61.52 111.869 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -69.79 -40.62 75.89 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.348 -0.612 . . . . 54.44 109.348 170.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.42 -33.33 72.82 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.665 -0.698 . . . . 72.14 110.472 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 75' ' ' GLU . 92.3 mt -67.0 -37.58 84.46 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.563 0.745 . . . . 54.1 110.16 172.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -59.25 -54.02 51.6 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 123.704 0.628 . . . . 74.43 109.968 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.31 -47.77 84.89 Favored Glycine 0 C--N 1.348 1.22 0 O-C-N 123.829 0.706 . . . . 62.2 112.784 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.2 -59.9 4.6 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.482 1.113 . . . . 62.35 110.469 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.57 -28.12 67.51 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 123.482 0.713 . . . . 73.52 111.29 -175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.72 -44.89 96.05 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 118.318 0.508 . . . . 72.43 110.523 174.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -58.96 -46.41 88.11 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.884 0.74 . . . . 64.53 110.386 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.4 mmp_? -60.04 -50.0 75.43 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 124.328 1.017 . . . . 54.22 110.895 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.53 -35.04 78.18 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.296 1.039 . . . . 72.25 111.852 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.27 -48.05 81.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.869 0.731 . . . . 63.01 109.559 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.49 -45.57 79.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.83 0.852 . . . . 65.31 111.372 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 93' ' ' ILE . 97.5 mt -60.32 -52.28 65.94 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.914 0.759 . . . . 70.52 109.883 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.0 t -59.2 -39.13 81.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.118 0.967 . . . . 71.1 111.722 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.5 t -63.83 -33.26 75.28 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.648 0.592 . . . . 72.2 110.814 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.9 mt -84.56 -30.88 24.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.939 0.895 . . . . 71.32 111.898 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 89' ' ' LEU . 96.9 mt -66.94 -52.58 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.402 0.681 . . . . 51.34 110.159 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.8 -25.4 58.95 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.843 0.714 . . . . 52.12 113.946 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -70.37 -53.44 16.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.158 0.583 . . . . 61.31 110.516 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.566 HG23 HG22 ' A' ' 433' ' ' VAL . 26.9 m -83.55 -21.86 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.74 0.816 . . . . 75.04 112.495 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 N--CA 1.474 0.762 0 N-CA-C 107.369 -1.345 . . . . 73.23 107.369 -177.359 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 109.939 -0.393 . . . . 63.12 109.939 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.02 -44.89 83.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.147 0.579 . . . . 70.21 111.196 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.6 mt-10 -63.91 -56.34 15.99 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.096 0.873 . . . . 73.0 110.409 -176.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.9 t -60.82 -40.42 92.67 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 123.698 0.623 . . . . 65.14 111.604 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . 0.566 HG22 HG23 ' A' ' 96' ' ' VAL . 55.7 t -60.39 -49.78 82.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 N-CA-C 109.029 -0.73 . . . . 53.44 109.029 174.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.91 -29.07 69.99 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.893 0.877 . . . . 61.23 112.346 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.1 mmt180 -68.39 -57.08 6.43 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 109.486 -0.561 . . . . 73.04 109.486 178.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -70.1 -25.57 63.57 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.602 -0.726 . . . . 74.55 111.627 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -72.12 -45.78 59.22 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.057 0.943 . . . . 72.11 109.714 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.55 -52.92 59.01 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 123.802 0.689 . . . . 51.24 109.7 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -55.47 -41.33 72.81 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.061 0.851 . . . . 64.11 111.459 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.44 -63.89 1.05 Allowed 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 118.899 -0.572 . . . . 74.14 109.935 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 44.1 m -55.35 -34.71 64.51 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.387 1.075 . . . . 64.5 112.374 -173.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -70.58 -50.78 33.73 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.79 0.836 . . . . 74.24 111.432 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.462 HD12 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -74.0 -18.47 60.85 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 122.636 0.374 . . . . 73.25 111.009 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.23 -44.24 18.06 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.593 1.157 . . . . 75.24 110.527 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.7 t -67.65 -32.95 73.99 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 109.341 -0.614 . . . . 72.4 109.341 172.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.493 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.7 ttt -62.5 -44.08 97.24 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 109.756 -0.461 . . . . 44.33 109.756 171.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 36.7 tpp -60.47 -50.28 74.2 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.397 1.079 . . . . 74.1 112.037 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 8.6 p -66.58 -40.68 89.07 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.479 -0.782 . . . . 71.34 111.304 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.57 -36.22 70.85 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 119.068 -0.491 . . . . 72.35 111.425 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.493 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -73.75 -23.93 59.81 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.798 0.332 . . . . 45.11 110.16 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.4 -53.14 25.75 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.335 0.654 . . . . 62.43 109.541 172.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -56.17 -47.02 79.08 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 124.518 1.127 . . . . 61.11 111.253 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.48 ' HB ' HG21 ' A' ' 44' ' ' ILE . 34.0 p -62.13 -61.26 2.59 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.016 -0.993 . . . . 72.3 109.962 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.1 p -53.19 -29.53 32.44 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.463 0.705 . . . . 71.03 112.843 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 71.2 m -59.83 -62.44 1.87 Allowed 'General case' 0 C--O 1.247 0.962 0 C-N-CA 122.919 0.488 . . . . 74.02 110.554 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 3.7 p90 -73.86 -21.2 60.19 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.551 0.575 . . . . 65.35 112.551 -178.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.668 HD21 HG23 ' A' ' 44' ' ' ILE . 66.6 mt -69.47 -42.41 74.89 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.568 0.747 . . . . 73.23 110.621 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 3.7 t -75.8 -33.18 60.12 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 123.542 0.526 . . . . 64.4 110.692 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -62.76 -42.96 99.92 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.443 0.464 . . . . 72.51 110.306 171.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -62.79 -40.37 97.13 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.145 -0.934 . . . . 71.4 110.393 175.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -64.48 -40.34 95.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.147 0.579 . . . . 71.14 110.37 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 57.7 m -63.81 -45.21 90.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.417 0.687 . . . . 72.32 110.603 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.66 -50.74 23.05 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.052 0.453 . . . . 74.42 111.814 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.469 ' SD ' HG23 ' A' ' 64' ' ' VAL . 59.0 ttm -63.47 -33.02 74.64 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.834 0.854 . . . . 72.43 111.513 -174.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -89.18 -56.45 3.27 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 122.637 0.375 . . . . 61.33 110.046 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 78.53 1.78 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 112.316 0.487 . . . . 65.45 112.316 174.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 CA--C 1.56 1.339 0 O-C-N 121.578 -0.702 . . . . 64.05 110.708 167.266 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.5 p . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 112.199 0.444 . . . . 61.54 112.199 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -68.54 -35.79 77.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.218 0.607 . . . . 61.54 110.994 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 8' ' ' ILE . 76.1 m -73.38 -41.93 62.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.844 -0.616 . . . . 64.41 111.331 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.39 -38.07 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 117.827 0.285 . . . . 74.54 110.988 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.54 -37.86 83.34 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 109.57 -0.53 . . . . 72.53 109.57 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HZ ' ' HE1' ' A' ' 464' ' ' MET . 60.9 t80 -53.55 -55.49 25.11 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.112 0.965 . . . . 73.13 110.547 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.472 HG12 HG23 ' A' ' 60' ' ' ILE . 92.4 mt -55.72 -57.98 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.136 0.974 . . . . 65.25 111.463 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 88.6 m-20 -57.08 -46.6 82.39 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.606 1.191 . . . . 74.42 111.737 -172.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.471 ' O ' HG13 ' A' ' 14' ' ' ILE . 62.3 mtm180 -74.76 -32.04 61.96 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 118.41 -0.805 . . . . 71.45 111.663 -174.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -64.68 -37.79 88.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 118.542 0.61 . . . . 74.24 110.64 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -60.44 -44.48 95.78 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 123.69 0.618 . . . . 54.13 109.779 173.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 44.3 mmt-85 -58.89 -49.85 76.23 Favored 'General case' 0 C--N 1.359 1.02 0 O-C-N 123.578 0.549 . . . . 63.1 109.883 175.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.9 mt -55.58 -44.69 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.137 0.975 . . . . 65.14 111.164 -175.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.418 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -74.59 -47.35 32.88 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 123.619 0.768 . . . . 64.45 112.62 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.5 mt -71.99 -38.82 69.62 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.308 -0.405 . . . . 74.33 110.439 -176.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.7 mt -69.78 -40.4 76.06 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 118.404 -0.808 . . . . 63.42 110.663 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 70.3 p -59.6 -43.78 93.61 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.521 0.513 . . . . 74.54 110.545 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.03 -43.26 99.18 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 123.89 0.744 . . . . 42.52 110.704 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -63.16 -52.59 61.79 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.377 0.671 . . . . 64.03 112.02 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.595 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.0 pp -71.4 -22.34 61.88 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.847 0.459 . . . . 74.3 111.433 -177.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.86 -44.9 88.21 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 122.762 0.425 . . . . 72.33 110.16 172.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -57.64 -45.65 85.19 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.021 0.826 . . . . 74.22 110.092 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 32' ' ' LEU . 55.5 mt -64.82 -32.49 74.21 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.847 0.859 . . . . 75.22 111.7 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -72.5 -46.43 54.72 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.658 0.783 . . . . 61.22 110.813 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.44 -17.6 59.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.053 0.541 . . . . 74.43 111.855 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -85.81 -26.54 25.67 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.807 0.443 . . . . 65.33 110.065 169.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.52 1.66 50.18 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-O 118.927 -0.93 . . . . 75.05 114.684 174.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -68.54 88.43 0.34 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.477 1.138 . . . . 74.32 109.985 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -68.5 -36.87 79.5 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 123.054 0.541 . . . . 75.44 110.173 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.56 -46.85 80.49 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.463 0.705 . . . . 74.02 111.062 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.559 ' HB3' HD13 ' A' ' 24' ' ' LEU . 85.5 mt -75.62 -35.59 60.45 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.736 -0.665 . . . . 62.34 111.167 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.595 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.4 tp -57.56 -46.18 84.27 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.786 0.835 . . . . 74.54 110.432 173.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.43 HD21 HD12 ' A' ' 443' ' ' LEU . 78.9 mt -77.38 -25.17 50.67 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.217 1.007 . . . . 71.15 111.36 -177.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -65.0 -39.58 93.67 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.256 0.55 . . . . 73.32 109.579 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -87.58 -19.0 28.42 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.415 -0.811 . . . . 73.23 111.63 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.3 -59.92 3.27 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.044 0.937 . . . . 64.45 111.339 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.8 m -59.19 -42.7 87.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 CA-C-N 114.777 -1.102 . . . . 53.33 111.243 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 m -61.09 -47.05 88.09 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.84 0.856 . . . . 71.11 110.479 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 26.5 t80 -69.62 -61.32 1.83 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.52 1.528 . . . . 74.11 111.869 -172.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.24 -40.53 86.23 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.028 0.83 . . . . 75.45 110.951 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.91 -40.92 99.07 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.428 0.455 . . . . 72.44 111.587 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 m -60.64 -41.09 94.24 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.411 0.444 . . . . 53.32 111.226 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.485 HG23 HD21 ' A' ' 457' ' ' LEU . 58.5 mt -63.89 -44.46 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-O 121.44 0.638 . . . . 75.41 110.08 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -57.51 -47.55 81.65 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.795 -1.093 . . . . 75.03 111.323 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -77.36 -30.35 53.79 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.478 0.547 . . . . 72.55 112.478 -171.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.28 -31.68 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 CA-C-N 118.682 0.674 . . . . 62.33 110.241 172.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.413 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 25.4 mmt -82.78 -24.94 33.21 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 112.622 0.601 . . . . 74.21 112.622 176.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.17 -29.33 63.91 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.912 0.485 . . . . 61.15 110.047 171.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -88.47 18.51 4.47 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.905 0.882 . . . . 71.24 110.419 168.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 48.89 14.89 0.08 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 127.152 2.181 . . . . 65.34 115.792 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.468 HG23 ' HE1' ' A' ' 7' ' ' PHE . 98.7 m 56.86 94.04 0.05 OUTLIER Pre-proline 0 CA--C 1.561 1.385 0 C-N-CA 123.789 0.835 . . . . 74.41 109.971 -168.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.461 ' O ' HG12 ' A' ' 56' ' ' ILE . 16.9 Cg_endo -55.67 136.83 76.11 Favored 'Trans proline' 0 C--N 1.385 2.464 0 C-N-CA 122.8 2.334 . . . . 71.04 111.822 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 11.9 Cg_exo -73.56 -9.6 22.93 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.672 2.248 . . . . 63.44 113.393 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.92 58.54 5.03 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 112.09 -0.404 . . . . 62.54 112.09 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 53' ' ' PRO . 45.1 mm -123.43 115.43 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.694 1.198 . . . . 72.22 108.675 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -74.95 174.29 9.49 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.027 0.531 . . . . 75.35 110.293 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -28.63 67.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.679 0.392 . . . . 75.4 111.211 -175.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -70.32 -47.75 59.67 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.543 0.737 . . . . 71.42 110.531 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.538 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 93.6 mt -67.41 -39.0 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.098 -0.955 . . . . 71.51 109.842 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.07 -40.74 90.56 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.973 0.909 . . . . 75.31 111.091 175.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.27 -50.25 73.79 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.612 0.57 . . . . 74.44 110.187 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.538 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 49.6 mtm -55.08 -54.37 44.01 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 124.258 0.974 . . . . 75.15 110.46 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.5 m -75.32 -28.09 20.01 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 CA-C-O 118.624 -0.703 . . . . 72.22 112.551 -171.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.34 82.32 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.3 -0.629 . . . . 70.13 109.3 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.99 -36.92 92.68 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.541 -0.754 . . . . 65.12 112.108 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.462 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 21.5 m-85 -68.67 -36.53 78.65 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.169 0.588 . . . . 55.3 111.399 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 64' ' ' VAL . 52.3 mt -71.99 -38.87 65.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 108.898 -0.778 . . . . 73.33 108.898 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -55.7 -48.6 74.84 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.335 0.654 . . . . 74.23 110.622 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.418 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 26.2 mt-30 -61.36 -50.83 71.32 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 115.33 -0.85 . . . . 54.51 111.021 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.496 HG22 ' HA ' ' A' ' 68' ' ' ILE . 7.5 t -63.53 -40.17 96.34 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 123.584 0.553 . . . . 71.13 110.823 -174.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.38 -42.06 98.83 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.429 0.692 . . . . 70.11 111.109 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.67 -56.92 14.56 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.785 0.678 . . . . 73.12 110.421 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -66.01 -38.56 88.78 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.508 -0.769 . . . . 63.11 111.792 -173.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 78' ' ' LEU . 37.0 tt0 -77.27 -27.7 53.23 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.112 0.965 . . . . 73.51 111.463 -176.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -66.22 -41.06 90.65 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.123 0.569 . . . . 65.44 109.814 169.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.3 -32.53 72.73 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.445 -0.798 . . . . 73.21 110.941 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.0 mt -64.63 -45.86 85.04 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.946 0.498 . . . . 55.12 110.004 172.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -53.34 -52.49 59.04 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 123.974 0.796 . . . . 71.24 110.451 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -66.51 -49.31 57.06 Favored Glycine 0 C--N 1.351 1.416 0 O-C-N 123.941 0.776 . . . . 55.42 113.496 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.99 -55.97 27.47 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.464 1.105 . . . . 62.12 110.369 -176.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.438 HD22 HD23 ' A' ' 443' ' ' LEU . 62.6 mt -68.02 -27.03 66.2 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.236 -0.893 . . . . 62.13 110.581 -177.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.08 -44.13 97.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.65 0.38 . . . . 73.14 110.244 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 22.1 mt-30 -58.79 -51.48 69.82 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.212 0.945 . . . . 55.12 109.557 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -59.98 -44.65 94.35 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.948 -1.024 . . . . 71.43 111.899 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 443' ' ' LEU . 73.7 mt -73.04 -31.3 64.34 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.517 0.727 . . . . 62.03 111.646 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.06 -40.93 95.45 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.685 0.615 . . . . 75.12 109.377 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 34.5 mt-10 -69.51 -47.05 65.05 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.159 0.912 . . . . 75.23 110.89 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 93' ' ' ILE . 89.8 mt -59.23 -49.54 77.44 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.186 0.594 . . . . 74.25 110.004 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.7 t -60.52 -38.14 83.44 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.66 0.784 . . . . 55.33 111.303 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.8 t -63.24 -33.11 74.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.018 0.527 . . . . 62.34 110.864 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 85.9 mt -73.47 -49.14 28.32 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.15 0.58 . . . . 65.54 109.628 175.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 89' ' ' LEU . 89.2 mt -58.71 -41.53 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 124.476 1.11 . . . . 74.33 111.79 -174.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.29 -23.55 71.7 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 121.906 -0.188 . . . . 52.41 113.427 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -100.03 -29.84 12.31 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.272 0.629 . . . . 73.34 112.002 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.504 HG23 HG22 ' A' ' 433' ' ' VAL . 23.4 m -97.08 -32.41 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 122.846 0.458 . . . . 74.53 111.21 -175.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 tt . . . . . 0 N--CA 1.476 0.852 0 N-CA-C 106.312 -1.736 . . . . 71.23 106.312 172.348 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.222 -0.288 . . . . 71.04 110.222 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.63 -46.49 70.51 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 123.421 0.689 . . . . 64.42 110.967 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -70.59 -50.07 41.15 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.736 -1.12 . . . . 65.54 111.34 -172.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.3 t -68.58 -40.44 80.52 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 123.487 0.492 . . . . 61.31 111.455 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . 0.504 HG22 HG23 ' A' ' 96' ' ' VAL . 55.5 t -66.7 -38.24 81.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.551 0 C-N-CA 123.314 0.646 . . . . 71.32 109.716 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -67.73 -29.08 68.23 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.091 0.556 . . . . 64.41 111.228 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -72.0 -45.06 62.32 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.671 0.388 . . . . 71.14 110.368 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -64.73 -39.63 93.97 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.469 0.48 . . . . 75.31 110.649 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.87 -39.99 83.63 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.944 1.297 . . . . 50.51 110.511 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -66.36 -57.18 8.01 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.966 0.507 . . . . 42.35 110.645 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -61.24 -34.54 75.3 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.936 0.773 . . . . 75.21 110.673 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -62.17 -64.99 0.76 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 109.233 -0.654 . . . . 61.33 109.233 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 34.3 m -58.76 -34.32 71.28 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.31 1.044 . . . . 61.24 112.401 -171.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.05 -58.05 7.07 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.537 0.735 . . . . 72.53 111.334 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.543 ' HB2' HD21 ' A' ' 86' ' ' LEU . 7.9 mp -70.57 -18.73 62.91 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.12 0.568 . . . . 72.01 110.825 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.37 -53.35 8.28 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.145 1.378 . . . . 74.13 110.835 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.0 t -67.06 -30.82 70.98 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 123.511 0.507 . . . . 73.32 109.69 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.662 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.4 ttt -59.96 -47.98 83.57 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 123.865 0.728 . . . . 63.5 109.396 173.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.6 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 47.3 ttm -64.06 -46.97 81.98 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.285 0.991 . . . . 75.0 112.152 -175.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 7.8 p -63.71 -37.12 86.16 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 123.557 0.536 . . . . 54.13 111.201 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -71.82 -40.95 68.75 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 119.241 -0.409 . . . . 72.42 111.231 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.662 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -77.46 -21.28 53.15 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 117.941 0.337 . . . . 74.14 111.135 -175.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -82.35 -38.25 24.5 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.095 -0.706 . . . . 74.21 109.095 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -57.61 -50.06 74.39 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.891 0.876 . . . . 63.53 109.787 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.409 ' HB ' HG21 ' A' ' 44' ' ' ILE . 41.6 p -63.54 -61.61 2.21 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 115.063 -0.971 . . . . 75.32 109.763 -178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 77.6 p -51.27 -32.02 23.21 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.497 0.719 . . . . 62.43 112.824 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -63.14 -62.24 1.84 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 122.898 0.479 . . . . 72.13 110.574 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 1.7 p90 -70.9 -20.74 62.47 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.067 0.395 . . . . 65.25 112.067 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.485 HD21 HG23 ' A' ' 44' ' ' ILE . 65.2 mt -71.92 -43.46 65.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.776 0.83 . . . . 71.33 110.549 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.5 t -72.08 -33.34 67.82 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.303 0.377 . . . . 62.33 110.673 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -62.4 -50.2 72.47 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.048 0.452 . . . . 74.43 110.113 171.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -64.47 -36.33 83.82 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.189 -0.914 . . . . 75.05 110.076 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . 0.516 ' HB2' HG21 ' A' ' 68' ' ' ILE . 40.9 t80 -65.0 -45.21 86.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.674 0.79 . . . . 74.32 110.482 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 52.0 m -59.94 -38.37 82.22 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.121 0.888 . . . . 54.4 110.136 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.17 -51.19 18.77 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.864 0.466 . . . . 55.21 111.724 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.473 ' HE1' ' HZ ' ' A' ' 7' ' ' PHE . 51.1 ttm -60.33 -34.73 74.24 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.915 0.886 . . . . 71.44 110.783 -174.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -86.6 -67.71 0.79 Allowed 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.158 -0.928 . . . . 74.15 109.06 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 78.0 1.69 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 118.069 0.395 . . . . 74.31 112.026 175.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 C--O 1.255 1.348 0 CA-C-O 118.965 -0.54 . . . . 51.31 111.233 171.813 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 p . . . . . 0 N--CA 1.483 1.201 0 N-CA-C 112.105 0.409 . . . . 50.44 112.105 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -64.7 -41.14 96.23 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.84 0.856 . . . . 74.51 111.809 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.494 ' O ' HG13 ' A' ' 8' ' ' ILE . 33.4 m -74.54 -36.63 63.13 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.538 -0.755 . . . . 70.41 111.385 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.4 p -76.95 -39.22 29.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 119.501 -0.285 . . . . 71.15 110.516 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.99 -36.04 82.68 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.425 -0.583 . . . . 60.21 109.425 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 63.0 t80 -55.63 -57.71 10.82 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.501 1.12 . . . . 75.13 111.448 172.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 4' ' ' THR . 66.1 mt -57.28 -58.19 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 123.952 0.901 . . . . 73.34 110.746 -177.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.494 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 82.3 m-20 -52.93 -53.45 49.34 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 125.144 1.527 . . . . 72.2 111.592 -174.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.498 HH21 ' HD3' ' A' ' 50' ' ' LYS . 87.3 mtm180 -73.07 -36.21 66.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 118.415 -0.802 . . . . 72.44 112.846 -171.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -62.42 -40.88 97.99 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.769 0.713 . . . . 74.2 110.37 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -59.08 -43.82 91.83 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.235 1.014 . . . . 70.41 110.047 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 78.9 mmt-85 -62.48 -44.55 96.11 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.868 0.73 . . . . 72.43 111.009 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 10' ' ' ARG . 75.7 mt -60.87 -41.78 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 124.052 0.845 . . . . 73.33 111.24 -177.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.75 89.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.051 0.54 . . . . 70.24 111.523 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.32 -43.65 94.02 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.404 -0.816 . . . . 75.44 110.922 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 86.1 mt -67.31 -49.16 65.26 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.7 0.8 . . . . 63.21 110.463 -176.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 57.8 p -58.38 -46.27 86.65 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 124.243 0.964 . . . . 73.33 111.289 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -61.27 -44.2 97.63 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 124.193 0.933 . . . . 75.02 111.01 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.5 m -61.2 -54.23 46.85 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 123.887 0.742 . . . . 72.33 111.266 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.544 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -72.86 -19.02 61.38 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.098 0.559 . . . . 73.3 111.977 -175.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 74' ' ' ASN . 61.4 tp -68.94 -44.97 71.94 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.545 -0.539 . . . . 74.14 109.545 171.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.1 -38.81 77.16 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.109 0.881 . . . . 42.25 110.142 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 21' ' ' LEU . 59.1 mt -68.1 -43.88 77.48 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.403 -0.817 . . . . 70.34 111.112 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.08 88.95 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.568 0.747 . . . . 64.41 111.41 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -75.6 -29.61 59.3 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 123.349 0.405 . . . . 75.31 110.504 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.605 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -71.81 -22.73 61.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.54 0.736 . . . . 71.3 111.666 173.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 10.53 65.39 Favored Glycine 0 C--N 1.343 0.969 0 O-C-N 123.246 0.341 . . . . 60.11 112.85 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.605 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 17.6 mm-40 -75.48 82.07 2.53 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.724 0.81 . . . . 60.42 109.229 175.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.52 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 7.5 m95 -70.51 -44.26 67.94 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 122.778 0.431 . . . . 70.45 110.462 -177.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.44 -48.83 68.45 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.947 0.899 . . . . 70.24 111.417 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.76 -38.11 83.01 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.186 -0.915 . . . . 44.12 110.643 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.544 HD12 ' HB2' ' A' ' 21' ' ' LEU . 54.8 tp -61.24 -37.78 84.3 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.387 1.075 . . . . 71.45 111.078 175.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 83.2 mt -72.59 -33.71 66.91 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.218 1.007 . . . . 61.34 111.334 -178.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.67 -40.39 94.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.495 0.664 . . . . 71.3 109.88 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -82.48 -19.43 38.84 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.522 -1.217 . . . . 72.32 111.729 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.58 -62.12 1.86 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.193 0.997 . . . . 75.43 111.353 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.5 -41.27 89.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 115.018 -0.992 . . . . 75.14 112.039 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.4 p -70.08 -52.42 24.05 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.536 0.734 . . . . 71.43 110.684 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 36.3 t80 -60.27 -50.88 71.87 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.466 1.106 . . . . 71.12 111.969 -176.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.498 HD13 ' HD3' ' A' ' 449' ' ' LYS . 96.0 mt -61.92 -42.55 99.22 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.694 0.622 . . . . 74.51 110.459 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.97 -36.63 77.54 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.195 0.598 . . . . 73.1 111.394 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.4 m -62.78 -37.54 87.08 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.313 0.645 . . . . 61.15 110.394 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.5 ' HA ' HG22 ' A' ' 47' ' ' VAL . 46.1 mt -72.12 -38.24 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 CA-C-N 115.651 -0.704 . . . . 73.05 110.866 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.93 -43.67 86.42 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.675 0.39 . . . . 75.35 111.256 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.409 HG23 ' HD2' ' A' ' 10' ' ' ARG . 13.9 t -78.33 -25.73 46.56 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 123.186 0.304 . . . . 74.35 111.554 -174.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 44' ' ' ILE . 32.6 m -78.38 -18.58 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.698 -0.626 . . . . 72.12 111.385 170.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.1 mmt -86.1 -21.31 27.72 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.776 0.43 . . . . 74.13 111.104 171.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -73.27 -31.63 64.19 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 122.883 0.473 . . . . 55.23 110.231 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HD3' HH21 ' A' ' 10' ' ' ARG . 16.2 pttp -85.65 -19.55 30.77 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.705 0.402 . . . . 70.21 110.745 172.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 60.81 -89.46 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.868 1.267 . . . . 65.13 109.286 -167.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 m -174.57 106.54 0.28 Allowed Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.087 1.755 . . . . 62.43 106.963 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.437 ' O ' HG12 ' A' ' 56' ' ' ILE . 51.2 Cg_exo -58.76 139.92 92.81 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.71 2.273 . . . . 74.3 112.73 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.09 -28.25 87.29 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.97 2.447 . . . . 73.01 113.924 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.45 66.76 3.62 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 122.987 0.18 . . . . 53.51 113.531 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 53' ' ' PRO . 48.6 mm -126.01 120.5 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.49 1.116 . . . . 73.04 108.023 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -77.29 174.47 10.74 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.644 0.378 . . . . 73.44 111.133 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HD2' ' H ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -66.13 -34.27 77.66 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.343 1.057 . . . . 65.3 112.323 -174.242 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.49 ' H ' ' HD2' ' A' ' 58' ' ' ARG . 49.9 m -72.09 -44.8 62.67 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.864 0.466 . . . . 72.11 110.758 -178.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.485 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 94.8 mt -67.91 -40.0 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.044 0.938 . . . . 75.24 110.259 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -61.5 -38.22 86.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.233 1.013 . . . . 70.33 110.48 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.08 -51.27 64.86 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.268 0.627 . . . . 74.4 111.184 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 44.6 mtm -55.87 -53.06 61.36 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 123.823 0.702 . . . . 75.5 110.513 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 68' ' ' ILE . 31.9 m -71.27 -31.27 43.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 CA-C-N 115.311 -0.859 . . . . 72.45 112.086 -173.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.04 85.79 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.164 0.438 . . . . 55.45 109.916 173.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.7 -42.43 98.66 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.767 -0.651 . . . . 63.44 111.752 172.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 22.4 m-85 -65.36 -39.6 92.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.556 0.742 . . . . 73.43 111.848 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 64' ' ' VAL . 72.9 mt -72.03 -39.9 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.333 -0.618 . . . . 62.53 109.333 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.8 -40.49 95.41 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.327 0.251 . . . . 70.31 110.434 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -59.47 -53.17 61.25 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.028 0.83 . . . . 72.11 110.081 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 t -67.26 -30.09 69.89 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 124.274 0.984 . . . . 71.13 111.386 -172.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.73 -46.24 72.74 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.455 0.702 . . . . 75.14 110.722 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.2 -46.94 78.7 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.195 0.934 . . . . 75.11 110.496 -177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.429 ' HA ' HD22 ' A' ' 22' ' ' LEU . 13.6 m120 -62.88 -46.45 87.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.526 0.73 . . . . 74.25 110.52 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.572 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.1 tt0 -72.83 -22.61 60.77 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.25 1.02 . . . . 71.43 111.939 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.14 -45.35 73.81 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.454 0.702 . . . . 53.14 109.612 170.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.33 -27.39 65.32 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.731 -0.668 . . . . 71.41 110.946 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 75' ' ' GLU . 91.0 mt -66.71 -47.35 72.62 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.146 0.579 . . . . 71.12 109.736 170.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -53.63 -49.28 68.22 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.133 0.896 . . . . 75.3 110.537 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -65.65 -59.35 7.77 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.307 0.379 . . . . 75.15 113.071 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.85 -50.08 75.17 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.18 0.992 . . . . 63.25 111.239 -172.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 68.9 mt -72.05 -27.9 63.0 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 118.656 -0.688 . . . . 55.01 111.377 -177.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.71 -37.02 86.16 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 118.489 0.586 . . . . 75.53 110.463 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 22.5 mt-30 -61.68 -49.34 76.91 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.076 0.86 . . . . 72.34 109.212 174.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -54.43 -46.11 73.17 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.443 1.089 . . . . 72.41 111.53 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 83.7 mt -65.66 -39.2 91.1 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.948 0.78 . . . . 74.54 111.398 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.25 -42.07 96.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.357 0.663 . . . . 63.1 110.33 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.2 mt-10 -65.83 -55.05 19.12 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.044 -0.98 . . . . 54.14 110.588 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.71 -33.31 75.66 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.763 0.825 . . . . 65.12 111.739 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 t -64.83 -42.42 94.97 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.285 0.634 . . . . 63.32 110.067 176.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 28.0 t -63.57 -43.04 98.15 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.659 -0.701 . . . . 63.31 110.205 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 98.1 mt -64.17 -43.11 96.14 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.612 0.765 . . . . 73.42 111.649 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.74 -42.68 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.581 0.752 . . . . 52.42 109.402 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.35 -27.41 71.61 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.487 -0.778 . . . . 63.31 113.954 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.4 mm100 -86.33 -45.56 11.11 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.404 0.682 . . . . 73.1 111.687 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.68 -33.83 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 111.876 0.324 . . . . 64.5 111.876 -173.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 108.168 -1.049 . . . . 74.33 108.168 -178.599 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 110.127 -0.323 . . . . 61.31 110.127 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.76 -42.89 94.27 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 123.163 0.585 . . . . 71.02 111.135 172.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.7 mt-10 -67.99 -35.58 78.58 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.761 0.663 . . . . 71.42 110.735 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.9 m -57.08 -52.9 63.44 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.949 0.899 . . . . 73.05 110.638 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.78 -37.11 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 114.318 -1.31 . . . . 63.52 110.807 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.03 89.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.012 0.525 . . . . 73.14 111.092 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 28.0 mmt180 -66.12 -55.45 16.39 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.61 0.569 . . . . 71.51 110.066 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -66.49 -41.95 88.14 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.225 -0.898 . . . . 75.21 112.043 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -76.33 -28.62 56.96 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.774 0.671 . . . . 62.53 110.848 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.84 -59.7 4.96 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.398 -0.593 . . . . 64.34 109.398 171.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -62.47 -35.72 80.22 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.617 -0.719 . . . . 64.42 110.921 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -68.12 -64.64 0.82 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 123.095 0.558 . . . . 70.44 110.271 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.6 m -58.37 -33.37 69.51 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.408 1.083 . . . . 73.34 112.245 -171.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.409 ' HB3' HD22 ' A' ' 34' ' ' LEU . 19.1 mt-30 -73.81 -53.39 10.37 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.327 0.651 . . . . 74.14 110.923 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.21 -20.1 66.28 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 117.577 0.171 . . . . 72.52 111.278 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -80.26 -46.06 16.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.875 1.27 . . . . 75.54 111.066 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.0 t -67.11 -36.67 82.43 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 109.574 -0.528 . . . . 63.34 109.574 174.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.621 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.3 ttt -60.12 -43.08 95.93 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.932 0.77 . . . . 73.33 109.663 174.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.564 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 4.2 ttm -67.95 -51.1 51.49 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.026 0.829 . . . . 63.35 112.908 -176.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 57.2 p -58.35 -40.73 82.96 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.76 0.663 . . . . 44.4 110.35 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . 0.498 ' HD3' HD13 ' A' ' 41' ' ' LEU . 8.1 mtpm? -69.82 -45.74 67.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.12 -0.946 . . . . 75.02 110.883 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.621 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.6 pp -73.08 -20.97 60.85 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 118.24 0.473 . . . . 64.14 111.309 -172.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -76.49 -45.42 31.09 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.981 -0.748 . . . . 64.15 108.981 174.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -58.09 -42.8 86.4 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.07 0.856 . . . . 74.32 110.444 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 456' ' ' TYR . 67.4 p -66.67 -59.5 3.54 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 123.785 0.678 . . . . 51.05 109.869 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.0 p -53.4 -29.27 34.02 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.556 0.742 . . . . 71.04 112.466 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.474 ' O ' HG22 ' A' ' 458' ' ' THR . 23.3 t -63.92 -62.77 1.42 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.42 0.688 . . . . 72.02 110.96 175.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 1.2 p90 -72.94 -20.98 60.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.507 -0.745 . . . . 73.22 112.371 -177.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.84 -34.1 60.07 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.258 0.623 . . . . 51.42 110.47 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 455' ' ' SER . 13.0 t -74.23 -33.09 63.24 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 117.878 0.308 . . . . 55.44 110.386 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 455' ' ' SER . 17.2 mt-30 -64.47 -47.04 80.5 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 123.467 0.479 . . . . 74.51 109.898 172.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -60.31 -39.78 88.2 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 114.67 -1.15 . . . . 72.42 110.204 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.11 -47.54 76.79 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 123.606 0.762 . . . . 71.32 110.807 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 94.2 m -60.58 -41.2 94.19 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 123.975 0.797 . . . . 61.24 111.276 -175.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.33 -52.99 8.83 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.927 -0.579 . . . . 70.24 111.558 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.477 ' SD ' HG23 ' A' ' 64' ' ' VAL . 53.8 ttm -61.15 -33.24 73.1 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.426 0.69 . . . . 44.53 110.994 -176.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -73.27 -71.47 0.31 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.316 -0.994 . . . . 74.44 108.316 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 86.23 2.46 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 112.88 0.696 . . . . 71.45 112.88 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 CA--C 1.558 1.252 0 O-C-N 121.761 -0.587 . . . . 74.52 109.881 162.316 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.4 p . . . . . 0 N--CA 1.486 1.353 0 N-CA-C 112.05 0.389 . . . . 65.1 112.05 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -64.88 -35.1 80.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.723 0.809 . . . . 71.35 111.388 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.418 ' O ' HG13 ' A' ' 8' ' ' ILE . 38.5 m -78.44 -40.08 36.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 122.869 0.468 . . . . 72.12 111.542 -177.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.7 p -70.6 -37.06 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 118.117 0.417 . . . . 74.45 110.959 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.69 -40.58 88.59 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 109.242 -0.651 . . . . 74.24 109.242 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' THR . 57.9 t80 -52.69 -53.82 42.12 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.116 0.966 . . . . 74.41 111.418 173.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 4' ' ' THR . 98.7 mt -55.31 -59.34 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 124.589 1.156 . . . . 63.13 111.186 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 88.2 m-20 -60.68 -46.08 91.73 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.428 -1.26 . . . . 71.03 111.807 -172.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 14' ' ' ILE . 80.6 mtm180 -72.81 -35.04 67.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 118.564 -0.731 . . . . 74.32 111.832 -173.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.473 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 48.5 m95 -61.32 -41.4 96.96 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 118.609 0.641 . . . . 63.55 110.274 172.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.28 -42.41 95.38 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.585 0.553 . . . . 72.13 110.519 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 22.0 mmt180 -59.47 -45.61 91.14 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.656 0.598 . . . . 71.12 110.196 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' ARG . 90.2 mt -54.38 -50.64 55.76 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 O-C-N 124.396 1.06 . . . . 62.14 109.926 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -63.08 -43.91 97.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.185 0.994 . . . . 72.24 112.802 -177.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.65 -46.26 90.54 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.768 0.827 . . . . 75.14 110.141 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 90.8 mt -61.25 -45.89 92.63 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.811 -1.086 . . . . 74.11 110.066 177.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.0 m -52.22 -53.51 42.58 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.639 1.175 . . . . 54.43 111.139 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.95 -47.21 84.2 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-N 114.821 -1.081 . . . . 72.43 110.732 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 52.2 m -57.99 -55.84 29.67 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.951 0.782 . . . . 70.55 111.831 -177.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.588 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -70.3 -25.13 63.18 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.219 0.608 . . . . 53.24 112.071 -175.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.6 tp -63.98 -46.48 84.42 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.467 0.479 . . . . 43.42 110.067 175.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.69 -43.33 94.11 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.766 -1.107 . . . . 73.25 109.965 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 32' ' ' LEU . 67.1 mt -66.89 -29.2 69.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.844 0.857 . . . . 72.42 112.061 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.39 -46.15 56.56 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.559 0.744 . . . . 62.14 110.939 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -75.6 -22.34 57.0 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.046 0.538 . . . . 73.12 111.281 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 27.5 mmm-85 -70.93 -24.53 62.47 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.724 0.81 . . . . 72.43 110.934 170.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.66 8.24 73.87 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-N 116.243 -0.435 . . . . 70.03 112.64 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 34.5 mm-40 -76.51 89.77 3.28 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.05 0.94 . . . . 65.3 109.884 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -77.61 -35.68 52.54 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.489 0.493 . . . . 72.14 111.421 -176.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.86 -45.89 90.47 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.147 0.499 . . . . 62.5 110.087 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' A' ' 24' ' ' LEU . 87.8 mt -70.48 -41.06 73.21 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.11 -0.95 . . . . 60.32 111.129 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.0 tp -58.19 -49.36 77.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.716 0.806 . . . . 74.3 111.23 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 443' ' ' LEU . 81.7 mt -77.91 -18.71 55.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.857 0.863 . . . . 50.31 111.712 -175.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -67.58 -38.83 84.61 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.609 -0.515 . . . . 53.34 109.609 169.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 73.4 mm-40 -79.97 -27.52 39.69 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.435 -0.802 . . . . 75.45 110.822 178.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -47.23 -60.02 2.77 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.887 1.275 . . . . 72.4 111.809 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.7 m -58.94 -44.49 91.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 115.048 -0.978 . . . . 65.32 111.357 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m -60.15 -46.77 88.54 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.197 0.999 . . . . 51.14 110.571 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -68.81 -57.96 4.86 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 125.704 1.602 . . . . 72.23 111.993 -170.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.69 -40.59 97.59 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.125 0.891 . . . . 52.44 110.558 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -65.73 -38.12 88.26 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.513 0.508 . . . . 74.31 110.916 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.453 ' HA ' HG22 ' A' ' 46' ' ' THR . 69.0 m -61.08 -38.22 85.48 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.072 0.549 . . . . 71.45 111.331 177.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.565 HG23 HD21 ' A' ' 457' ' ' LEU . 75.4 mt -65.82 -43.03 93.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 121.459 0.647 . . . . 62.54 110.53 176.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.66 -35.48 77.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.313 0.645 . . . . 74.41 112.094 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 43' ' ' SER . 13.1 t -79.0 -31.25 44.7 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.66 0.384 . . . . 74.54 111.141 -175.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 m -70.87 -33.35 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 118.259 0.482 . . . . 75.41 110.086 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.1 mmt -77.42 -12.71 59.99 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.277 0.631 . . . . 73.03 112.405 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -67.69 -33.49 75.01 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 109.677 -0.49 . . . . 64.33 109.677 168.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -89.49 -17.92 27.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.432 0.693 . . . . 72.42 110.848 171.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 43.36 39.52 2.18 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 126.102 1.761 . . . . 74.04 112.911 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.9 m 68.07 101.51 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 125.146 1.379 . . . . 74.24 111.095 -174.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -51.57 155.67 7.21 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 123.466 2.777 . . . . 75.51 113.815 172.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -63.13 -38.52 44.87 Favored 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.761 2.307 . . . . 71.02 112.522 174.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.99 66.9 3.82 Favored Glycine 0 C--N 1.35 1.31 0 CA-C-N 115.964 -0.562 . . . . 71.42 113.107 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.5 mm -118.94 113.43 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 108.201 -1.037 . . . . 55.02 108.201 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -77.91 170.8 15.98 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.184 0.594 . . . . 61.34 110.009 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -24.99 65.03 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.292 0.637 . . . . 74.44 111.961 -174.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 63' ' ' MET . 29.0 t -72.35 -46.67 54.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.39 0.676 . . . . 73.12 110.545 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.417 HG23 HG12 ' A' ' 8' ' ' ILE . 80.2 mt -67.45 -41.11 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.749 0.819 . . . . 64.14 110.093 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.8 -46.43 74.47 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.831 1.253 . . . . 64.13 110.801 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.66 -49.28 78.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.95 0.9 . . . . 52.31 111.634 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 59' ' ' SER . 48.5 mtm -59.95 -55.97 27.44 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 123.789 0.681 . . . . 53.4 110.475 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 68' ' ' ILE . 29.2 m -69.11 -33.12 56.98 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 CA-C-N 115.388 -0.823 . . . . 74.43 111.693 -173.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.82 -34.67 78.43 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.386 0.429 . . . . 61.31 110.208 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -64.09 -39.33 97.08 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.697 -0.683 . . . . 64.54 111.958 172.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.86 -30.02 64.99 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.325 0.65 . . . . 61.35 111.456 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 64' ' ' VAL . 50.8 mt -73.75 -36.84 47.5 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 N-CA-C 109.049 -0.723 . . . . 64.14 109.049 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -60.01 -45.15 93.72 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.052 -0.722 . . . . 60.43 109.052 175.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.442 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 26.1 mt-30 -62.72 -49.03 76.67 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 115.684 -0.689 . . . . 54.34 111.079 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.547 HG22 ' HA ' ' A' ' 68' ' ' ILE . 10.7 t -64.24 -44.22 92.49 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 123.617 0.573 . . . . 72.41 110.728 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.44 -44.4 92.92 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.809 0.844 . . . . 62.11 112.062 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.44 -54.86 33.99 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.166 0.987 . . . . 75.0 110.657 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.429 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 10.1 m120 -67.68 -37.74 82.74 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.273 -0.876 . . . . 62.55 111.036 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.538 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.8 tt0 -73.97 -27.18 60.86 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.821 1.248 . . . . 74.44 111.564 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.47 -43.46 90.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.786 0.834 . . . . 75.11 110.043 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.82 -31.22 68.98 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.15 -0.932 . . . . 70.01 111.002 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 75' ' ' GLU . 92.3 mt -66.23 -42.07 89.18 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.365 0.666 . . . . 73.43 110.132 172.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.25 -52.32 63.78 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.861 0.725 . . . . 75.44 110.103 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.09 -46.47 65.39 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.761 0.663 . . . . 70.13 113.712 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.4 -56.32 19.36 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.184 0.993 . . . . 65.44 110.022 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.06 -22.56 64.02 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 115.772 -0.649 . . . . 73.34 111.473 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.68 -46.21 90.69 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.353 0.524 . . . . 64.21 110.192 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.82 -50.46 73.71 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.863 -1.062 . . . . 71.14 110.434 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.1 mmp_? -59.22 -49.37 78.11 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.006 -0.997 . . . . 63.13 111.286 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.2 -31.41 70.91 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.881 0.872 . . . . 75.11 112.152 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.79 -48.24 81.53 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.336 0.589 . . . . 71.54 109.604 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 33.4 mt-10 -60.69 -57.46 12.59 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 114.675 -1.148 . . . . 73.52 110.237 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 88.0 mt -56.61 -41.63 77.38 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.041 0.936 . . . . 74.51 111.506 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -60.55 -46.84 88.7 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.628 0.771 . . . . 61.04 110.966 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 26.9 t -65.22 -39.87 93.34 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 123.77 0.669 . . . . 74.32 111.061 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 95.9 mt -64.57 -47.64 77.97 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.555 0.742 . . . . 65.13 111.177 -177.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.63 -41.07 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.06 0.944 . . . . 62.24 109.671 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.22 -29.05 67.77 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 115.696 -0.684 . . . . 63.41 113.561 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.4 mm100 -86.89 -52.48 5.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.401 0.68 . . . . 74.31 111.315 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 26.7 m -75.43 -37.81 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.747 0.419 . . . . 74.32 111.495 -170.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 107.175 -1.417 . . . . 72.12 107.175 175.533 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.172 0 N-CA-C 110.043 -0.355 . . . . 64.22 110.043 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.14 -45.09 91.87 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.662 0.785 . . . . 72.2 111.482 175.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 50.7 mt-10 -66.44 -48.88 68.56 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 123.832 0.708 . . . . 71.21 110.758 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.8 t -65.64 -34.21 77.7 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.039 0.212 . . . . 74.21 111.306 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 46.6 t -61.74 -51.01 77.87 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 N-CA-C 108.848 -0.797 . . . . 73.42 108.848 170.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.73 86.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.791 0.836 . . . . 70.14 112.547 -175.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 18.5 mmt180 -76.25 -54.24 7.07 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.8 0.44 . . . . 53.25 110.337 -175.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -67.88 -27.07 66.35 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.392 0.432 . . . . 73.14 111.395 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -75.75 -41.93 51.87 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.211 0.605 . . . . 63.2 110.508 176.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.1 73.04 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.337 0.398 . . . . 61.22 109.935 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -60.12 -44.35 94.96 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.428 0.691 . . . . 71.4 111.128 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.94 -57.13 14.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.744 0.418 . . . . 72.44 110.388 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 28.8 m -59.05 -35.7 73.78 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.106 0.962 . . . . 75.51 111.951 -175.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -71.19 -49.94 38.36 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.694 0.797 . . . . 73.21 111.591 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.487 HD12 HD21 ' A' ' 34' ' ' LEU . 10.4 mp -69.17 -21.96 63.95 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.742 0.417 . . . . 63.32 111.097 175.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.78 -43.36 16.83 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.967 0.907 . . . . 64.14 110.808 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.8 t -69.93 -31.89 69.88 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 109.068 -0.716 . . . . 43.14 109.068 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.564 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.3 ttt -62.55 -46.42 88.45 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 123.801 0.688 . . . . 70.1 109.608 171.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.484 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 17.4 ttm -62.67 -50.62 70.44 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.234 0.958 . . . . 73.53 112.366 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 24.3 p -63.78 -38.06 89.7 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.158 0.583 . . . . 71.21 110.792 -176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -70.35 -44.67 67.68 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 115.896 -0.593 . . . . 72.02 111.055 174.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.564 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -71.85 -19.13 62.01 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 118.016 0.371 . . . . 71.54 110.924 -176.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -74.8 -49.27 21.38 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.991 0.916 . . . . 75.43 109.158 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -60.46 -44.78 95.51 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-N 115.201 -0.909 . . . . 72.33 110.583 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.429 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 63.0 p -64.45 -59.56 4.2 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 118.108 -0.949 . . . . 63.34 109.736 -177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 80.9 p -52.39 -30.47 29.3 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.576 0.75 . . . . 75.44 112.585 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.4 t -60.62 -65.3 0.71 Allowed 'General case' 0 CA--C 1.548 0.899 0 O-C-N 123.677 0.611 . . . . 73.24 110.714 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -71.13 -18.33 62.52 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.645 0.609 . . . . 74.4 112.645 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.565 HD21 HG23 ' A' ' 44' ' ' ILE . 70.6 mt -77.19 -39.12 49.94 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.95 0.9 . . . . 62.44 111.22 177.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 12.3 t -72.44 -33.16 66.88 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 109.839 -0.43 . . . . 74.12 109.839 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -65.0 -46.56 80.91 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.591 0.557 . . . . 74.23 109.919 171.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -57.75 -44.05 85.84 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.545 1.138 . . . . 55.13 110.925 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -63.39 -55.37 24.96 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 124.09 0.869 . . . . 73.14 110.784 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 34.7 m -60.09 -37.47 80.03 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 124.13 0.894 . . . . 73.24 111.582 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.51 -50.63 20.49 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.091 0.556 . . . . 61.14 111.259 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.464 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.8 ttm -61.65 -35.57 78.3 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.375 0.67 . . . . 74.4 110.936 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -81.26 -66.03 0.94 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.327 -0.851 . . . . 53.04 109.117 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.04 79.53 1.8 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.419 0.688 . . . . 71.55 111.667 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.561 1.397 0 O-C-N 121.818 -0.551 . . . . 61.12 111.295 168.739 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.6 p . . . . . 0 N--CA 1.485 1.281 0 CA-C-O 120.839 0.352 . . . . 51.01 111.193 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -63.73 -32.5 74.01 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 115.804 -0.635 . . . . 42.33 110.445 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' HG13 ' A' ' 8' ' ' ILE . 36.4 m -81.0 -33.81 33.41 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.884 -0.598 . . . . 71.31 111.855 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.91 -42.02 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 118.933 0.788 . . . . 74.24 110.19 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.96 -34.26 75.05 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.6 0.36 . . . . 63.53 110.506 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 4' ' ' THR . 46.0 t80 -53.34 -53.63 48.32 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.171 0.989 . . . . 72.11 110.818 170.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.501 HG12 HG23 ' A' ' 60' ' ' ILE . 92.3 mt -54.2 -57.72 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 124.025 0.93 . . . . 75.14 110.72 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.515 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 74.8 m-20 -58.82 -47.41 84.89 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.916 -1.493 . . . . 71.4 111.515 -172.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.2 mtm180 -72.49 -35.03 68.07 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 118.626 -0.702 . . . . 74.12 111.949 -175.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -65.87 -36.32 83.11 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 118.676 0.671 . . . . 55.51 110.839 173.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -58.66 -44.87 90.29 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 123.798 0.687 . . . . 74.25 109.717 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 21.3 mmt180 -63.97 -42.15 97.35 Favored 'General case' 0 C--N 1.358 0.974 0 O-C-N 123.465 0.478 . . . . 75.12 110.384 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 10' ' ' ARG . 95.9 mt -60.52 -43.7 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 123.876 0.87 . . . . 71.44 110.737 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.78 77.2 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.697 0.399 . . . . 71.43 111.715 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.82 -35.11 78.04 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.919 0.488 . . . . 73.42 111.165 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 79.6 mt -72.61 -49.17 33.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.548 0.739 . . . . 61.02 110.522 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.8 p -56.27 -40.14 73.77 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.971 0.794 . . . . 74.21 110.487 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -64.82 -47.16 79.03 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.235 0.96 . . . . 73.32 111.264 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.2 m -58.67 -56.98 15.17 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.377 0.671 . . . . 52.13 111.065 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.726 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -74.44 -19.41 60.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.009 0.524 . . . . 61.01 112.068 -174.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.3 -47.89 82.29 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.316 -0.624 . . . . 71.12 109.316 170.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.91 -42.56 98.3 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 114.548 -1.206 . . . . 73.2 110.464 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 20' ' ' SER . 55.9 mt -68.86 -32.1 71.53 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.85 0.86 . . . . 61.01 111.446 -178.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -72.48 -48.51 40.17 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.779 0.832 . . . . 43.11 111.06 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -70.79 -26.99 63.58 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.682 0.393 . . . . 72.42 111.048 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -79.14 -21.17 46.91 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.923 0.889 . . . . 63.12 112.027 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.05 6.41 71.8 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 119.975 -0.347 . . . . 54.01 113.705 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -79.55 80.24 5.95 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.206 -0.664 . . . . 73.54 109.206 172.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.44 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 42.3 m95 -68.35 -38.81 81.81 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 114.81 -1.087 . . . . 62.43 111.512 -175.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.37 -38.01 70.85 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.671 0.788 . . . . 51.54 111.206 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.4 mt -80.61 -32.91 36.21 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.401 -0.818 . . . . 45.21 110.995 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' A' ' 21' ' ' LEU . 42.9 tp -60.35 -37.95 82.31 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.553 0.741 . . . . 74.54 110.291 171.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 443' ' ' LEU . 87.2 mt -78.03 -32.34 50.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.639 1.175 . . . . 72.32 110.886 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.4 -44.05 96.08 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.441 -0.799 . . . . 63.55 109.587 173.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -89.07 -10.41 47.53 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.492 -0.777 . . . . 75.04 112.514 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -57.56 -55.78 30.36 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.129 0.572 . . . . 75.43 110.15 173.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.2 m -61.46 -41.39 89.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.831 -1.077 . . . . 51.22 111.576 -174.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 p -72.38 -43.5 63.89 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.721 0.809 . . . . 74.25 111.075 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.05 -56.21 14.37 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.417 1.087 . . . . 73.13 111.722 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.11 -37.53 87.8 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.41 -0.814 . . . . 74.11 110.46 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -55.15 -46.45 75.72 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 123.773 0.671 . . . . 63.13 111.558 172.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.3 m -61.28 -42.13 98.12 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 123.341 0.657 . . . . 72.33 111.413 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.408 HG23 HD21 ' A' ' 457' ' ' LEU . 56.9 mt -66.9 -41.22 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 116.019 -0.537 . . . . 61.44 110.323 177.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.67 -32.13 72.59 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.389 0.675 . . . . 55.33 111.516 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -84.75 -27.77 26.7 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 111.965 0.357 . . . . 72.32 111.965 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' HG2' ' A' ' 48' ' ' MET . 35.5 m -75.92 -32.85 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 121.75 -0.594 . . . . 75.25 110.386 170.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.478 ' HG2' HG23 ' A' ' 47' ' ' VAL . 17.2 mmt -98.75 0.02 43.62 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.547 0.944 . . . . 74.33 113.547 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.27 -31.15 63.91 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.692 -0.855 . . . . 74.32 108.692 166.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -35.73 16.07 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 114.262 -1.335 . . . . 71.34 108.621 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 69.84 59.13 0.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.115 1.366 . . . . 72.24 110.812 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.2 m 64.8 114.07 0.02 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.789 1.236 . . . . 70.31 112.944 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -67.45 129.28 19.84 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.627 2.218 . . . . 73.42 111.761 170.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.16 99.33 1.25 Allowed 'Trans proline' 0 C--N 1.37 1.7 0 C-N-CA 122.805 2.337 . . . . 64.11 109.967 171.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.84 42.28 0.02 OUTLIER Glycine 0 C--N 1.336 0.558 0 N-CA-C 110.2 -1.16 . . . . 74.41 110.2 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -110.59 116.08 51.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.179 0.992 . . . . 75.12 108.534 -173.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 t -76.07 175.95 8.44 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 117.807 0.276 . . . . 74.33 110.622 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 59' ' ' SER . 5.2 ppt_? -65.98 -30.02 70.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.596 0.758 . . . . 73.34 111.952 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 35.2 t -73.81 -44.02 57.09 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.198 0.599 . . . . 53.52 110.696 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.501 HG23 HG12 ' A' ' 8' ' ' ILE . 95.5 mt -72.62 -41.54 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.576 0.75 . . . . 72.24 110.266 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.434 ' HG3' ' HG2' ' A' ' 464' ' ' MET . 35.7 tt0 -60.98 -37.08 81.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.223 1.009 . . . . 73.43 110.46 176.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.05 -51.19 65.3 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.714 0.806 . . . . 75.44 110.159 175.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 59' ' ' SER . 55.5 mtm -58.8 -57.06 14.71 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.289 0.636 . . . . 64.41 111.0 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.4 m -68.25 -27.06 35.58 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.017 0 CA-C-N 115.876 -0.602 . . . . 71.41 111.976 -175.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.32 90.66 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 118.287 0.494 . . . . 71.32 109.775 171.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -64.17 -45.31 94.02 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 115.731 -0.668 . . . . 63.22 112.201 172.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -65.24 -37.31 86.84 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.458 0.703 . . . . 72.3 112.128 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 64' ' ' VAL . 83.4 mt -72.28 -41.07 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.708 -0.849 . . . . 71.12 108.708 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -58.32 -41.35 84.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.338 0.655 . . . . 71.12 111.037 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 23.5 mt-30 -63.0 -53.19 57.89 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.578 -0.737 . . . . 75.43 109.917 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -28.15 68.15 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 114.947 -1.024 . . . . 64.13 111.069 -171.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.42 -48.54 55.56 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.628 0.771 . . . . 74.12 110.665 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 18.4 t70 -55.52 -54.22 46.67 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 124.162 0.914 . . . . 70.31 110.262 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.459 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -64.24 -42.3 96.59 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.838 -1.074 . . . . 44.2 111.172 -174.574 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.622 ' HA ' HD12 ' A' ' 78' ' ' LEU . 37.5 tt0 -74.81 -26.32 59.65 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.979 0.912 . . . . 74.21 111.516 -177.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -71.6 -39.27 70.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.311 0.644 . . . . 73.11 109.749 171.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 89.1 mt -67.11 -33.64 75.89 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.866 -0.606 . . . . 72.52 110.187 176.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 75' ' ' GLU . 87.6 mt -63.54 -44.71 93.42 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.221 0.608 . . . . 72.05 110.122 172.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -53.81 -54.71 34.52 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.396 0.678 . . . . 74.51 110.575 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -49.05 52.42 Favored Glycine 0 C--N 1.351 1.365 0 O-C-N 123.77 0.669 . . . . 73.41 113.669 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.43 -54.52 35.34 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.994 0.918 . . . . 70.31 109.931 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 HD23 ' A' ' 443' ' ' LEU . 76.8 mt -67.72 -25.2 65.53 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.016 0.526 . . . . 34.04 111.328 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.39 -43.34 94.74 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.282 0.492 . . . . 61.14 110.829 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.35 -49.07 79.24 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.878 0.736 . . . . 75.22 109.54 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 1.2 mmp_? -57.7 -50.76 72.12 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.255 0.972 . . . . 73.31 111.734 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 443' ' ' LEU . 95.9 mt -71.87 -25.19 61.84 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.896 0.878 . . . . 74.14 112.263 -176.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.1 -37.8 72.39 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.454 -0.572 . . . . 71.24 109.454 174.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 34.8 mt-10 -69.6 -47.39 63.68 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.864 0.866 . . . . 75.21 110.403 175.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.558 HD12 HD23 ' A' ' 86' ' ' LEU . 96.0 mt -62.13 -44.12 97.34 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.786 0.834 . . . . 73.2 110.462 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.1 t -69.14 -32.82 72.45 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.129 0.572 . . . . 64.02 111.308 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.1 t -64.41 -38.02 89.58 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.336 0.654 . . . . 62.51 110.124 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 93.5 mt -69.76 -48.67 58.48 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.528 -0.76 . . . . 52.42 110.037 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 89' ' ' LEU . 95.8 mt -60.44 -40.73 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 124.522 1.129 . . . . 74.53 110.976 -177.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.55 -25.53 63.31 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.191 -0.459 . . . . 31.01 113.622 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -93.34 -50.73 5.32 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.646 0.778 . . . . 72.0 110.741 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.576 HG23 HG22 ' A' ' 433' ' ' VAL . 22.4 m -79.89 -26.71 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.491 0.716 . . . . 73.2 112.404 -167.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 tt . . . . . 0 N--CA 1.477 0.902 0 N-CA-C 107.265 -1.383 . . . . 70.22 107.265 173.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.943 0 N-CA-C 110.075 -0.343 . . . . 51.31 110.075 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.73 -42.98 90.06 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 123.812 0.845 . . . . 64.02 111.016 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.6 mt-10 -64.79 -56.85 11.02 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 123.966 0.791 . . . . 73.51 111.014 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 14.1 t -63.05 -40.87 98.99 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 123.447 0.467 . . . . 75.11 111.968 -174.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . 0.576 HG22 HG23 ' A' ' 96' ' ' VAL . 82.6 t -67.43 -37.13 78.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 122.83 0.452 . . . . 54.03 110.177 177.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.96 82.18 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.197 0.599 . . . . 61.22 111.376 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 23.1 mmt180 -68.32 -47.47 67.44 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 109.723 -0.473 . . . . 73.12 109.723 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -63.58 -37.41 87.22 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.68 0.392 . . . . 73.32 111.246 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -71.54 -33.98 69.61 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.217 1.007 . . . . 75.15 110.296 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.1 -55.97 15.67 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 109.639 -0.504 . . . . 51.13 109.639 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 21.1 mm-40 -61.83 -35.21 77.58 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.693 -0.685 . . . . 75.3 110.681 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.92 -63.93 0.99 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 115.999 -0.546 . . . . 64.33 110.192 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 35.0 m -60.48 -40.38 91.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.755 0.822 . . . . 74.31 112.166 -172.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.42 -50.93 49.16 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.573 0.749 . . . . 72.1 111.312 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.628 ' HB2' HD21 ' A' ' 86' ' ' LEU . 8.6 mp -72.18 -20.51 61.58 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 121.997 0.119 . . . . 50.54 111.005 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -78.12 -44.4 26.2 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.945 0.898 . . . . 64.22 111.033 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 t -72.19 -33.02 67.32 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.509 -0.552 . . . . 73.23 109.509 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.627 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.1 ttt -61.01 -43.86 98.27 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.937 0.773 . . . . 72.13 109.356 171.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.552 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 46.7 ttm -65.05 -47.41 77.43 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.087 0.867 . . . . 75.0 111.684 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 18.7 m -59.0 -41.43 87.68 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.225 0.536 . . . . 62.05 110.545 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . 0.41 ' O ' HG23 ' A' ' 453' ' ' THR . 58.1 mtpt -69.05 -49.46 57.25 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.9 -1.045 . . . . 71.33 110.661 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.627 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.2 pp -72.36 -19.44 61.63 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.758 0.313 . . . . 74.11 111.623 -173.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -76.19 -48.5 20.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.862 0.865 . . . . 72.21 109.226 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -64.32 -38.32 90.62 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 115.232 -0.895 . . . . 61.0 110.504 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 54.2 p -65.85 -60.62 2.69 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 118.386 -0.816 . . . . 73.43 109.418 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.7 p -52.36 -30.3 28.13 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.521 0.728 . . . . 75.14 112.144 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 458' ' ' THR . 44.0 t -58.71 -66.83 0.43 Allowed 'General case' 0 CA--C 1.551 1.019 0 O-C-N 123.8 0.687 . . . . 63.23 110.627 171.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -71.48 -20.42 62.08 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.944 0.72 . . . . 74.41 112.944 -176.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.408 HD21 HG23 ' A' ' 44' ' ' ILE . 69.3 mt -73.25 -41.37 63.77 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.72 0.808 . . . . 62.14 110.368 178.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 455' ' ' SER . 6.7 t -72.84 -33.54 66.22 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.129 0.268 . . . . 72.14 110.518 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.02 -43.63 91.81 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.171 -0.468 . . . . 75.5 109.92 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -70.2 -31.32 68.71 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.324 -0.853 . . . . 72.52 110.754 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.81 -56.58 14.39 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.164 0.585 . . . . 72.2 109.717 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 25.1 m -63.92 -32.74 74.37 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 123.864 0.728 . . . . 71.11 111.756 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.47 -51.45 20.1 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.027 0.442 . . . . 64.34 111.095 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.434 ' HG2' ' HG3' ' A' ' 61' ' ' GLN . 50.5 ttm -64.74 -34.64 78.82 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.388 -0.824 . . . . 74.13 110.559 -177.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -75.97 -67.9 0.63 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.721 -0.844 . . . . 64.31 108.721 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 466' ' ' LYS . 0.0 OUTLIER -122.79 80.5 1.76 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.407 0.683 . . . . 75.41 111.209 177.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 CA--C 1.566 1.574 0 C-N-CA 124.107 0.963 . . . . 75.51 112.268 163.3 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.5 p . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.74 0.305 . . . . 74.4 111.63 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -62.39 -41.07 98.38 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.043 0.937 . . . . 62.45 111.229 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.422 ' O ' HG13 ' A' ' 8' ' ' ILE . 62.2 m -75.18 -38.69 60.75 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.137 -0.938 . . . . 53.51 112.076 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.89 -40.5 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 118.459 0.572 . . . . 75.22 110.562 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.15 -36.27 79.4 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 110.144 -0.317 . . . . 75.53 110.144 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' ' 64' ' ' VAL . 50.3 t80 -54.28 -52.23 62.1 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.713 0.805 . . . . 72.13 110.501 170.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 4' ' ' THR . 97.4 mt -61.44 -56.99 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.004 0.922 . . . . 71.13 111.619 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.492 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 50.5 m-80 -59.44 -42.47 92.0 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.824 0.703 . . . . 73.21 112.115 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 14' ' ' ILE . 86.4 mtm180 -75.71 -37.97 59.0 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 118.663 -0.685 . . . . 72.24 111.715 -175.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 53.3 m95 -63.97 -36.92 85.56 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 118.763 0.71 . . . . 72.5 110.827 172.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.6 tt0 -59.28 -46.23 89.11 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 114.804 -1.089 . . . . 72.41 109.038 174.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 82.2 mmt-85 -59.21 -50.74 72.84 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 123.682 0.614 . . . . 63.34 110.275 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.7 mt -53.31 -44.3 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 124.192 0.997 . . . . 65.42 111.73 -175.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.14 -43.87 55.84 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.785 0.661 . . . . 72.11 112.785 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 89.6 mt -65.15 -38.63 91.21 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.083 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 95.7 mt -75.1 -42.53 56.39 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.823 0.849 . . . . 72.55 110.341 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.491 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.8 p -58.8 -41.48 86.87 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.627 0.579 . . . . 63.02 110.587 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -64.98 -46.49 81.25 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.157 -0.929 . . . . 73.35 110.552 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -54.6 -59.87 4.12 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.839 0.712 . . . . 73.43 111.437 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.584 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -72.32 -23.32 61.14 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 115.684 -0.689 . . . . 74.02 112.207 -173.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HA ' HD21 ' A' ' 78' ' ' LEU . 57.1 tp -59.64 -53.49 57.47 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 109.418 -0.586 . . . . 74.32 109.418 171.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HA ' HE21 ' A' ' 26' ' ' GLN . 43.6 mt-10 -65.57 -38.04 88.41 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.121 -0.945 . . . . 74.41 111.011 -178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.495 HD13 ' HB3' ' A' ' 32' ' ' LEU . 86.1 mt -59.91 -41.96 92.84 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.602 0.761 . . . . 74.34 110.694 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -63.15 -45.95 89.48 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.584 0.754 . . . . 72.15 111.07 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.497 HE21 ' HA ' ' A' ' 23' ' ' GLU . 19.0 mt-30 -65.35 -28.25 69.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.719 0.808 . . . . 65.15 111.485 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -79.95 -24.04 41.26 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.088 0.955 . . . . 71.52 111.047 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.24 0.09 50.78 Favored Glycine 0 C--N 1.349 1.252 0 O-C-N 123.487 0.492 . . . . 54.04 112.994 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.82 79.11 3.41 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.509 0.724 . . . . 74.11 109.866 172.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -71.79 -30.84 65.97 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 115.16 -0.927 . . . . 72.52 110.322 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.22 -41.18 81.65 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.152 0.581 . . . . 71.23 110.074 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB3' HD13 ' A' ' 24' ' ' LEU . 64.2 mt -74.57 -31.76 62.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.176 0.59 . . . . 51.03 111.313 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.584 HD12 ' HB2' ' A' ' 21' ' ' LEU . 27.9 tp -56.25 -45.54 79.98 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.6 0.76 . . . . 74.31 110.25 168.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 HD12 ' A' ' 443' ' ' LEU . 77.7 mt -80.46 -21.24 42.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.43 1.092 . . . . 71.33 112.237 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -72.46 -37.36 68.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.26 -0.644 . . . . 74.2 109.26 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -88.55 -13.94 38.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.322 -0.853 . . . . 63.14 112.128 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.34 -57.02 10.03 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.077 0.951 . . . . 73.15 110.777 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 m -57.72 -44.41 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 114.672 -1.149 . . . . 72.22 111.115 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -61.64 -48.15 82.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.965 0.906 . . . . 72.3 111.243 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.6 t80 -67.69 -61.54 1.84 Allowed 'General case' 0 C--O 1.244 0.774 0 C-N-CA 125.488 1.515 . . . . 73.11 111.475 -171.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.43 -42.24 95.66 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 124.047 0.842 . . . . 74.44 111.006 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -55.97 -47.24 78.01 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.673 0.608 . . . . 53.52 111.484 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -59.08 -42.23 89.91 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 123.882 0.738 . . . . 72.44 111.81 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.546 HG23 HD21 ' A' ' 457' ' ' LEU . 64.0 mt -63.65 -46.63 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-O 121.372 0.606 . . . . 72.31 110.568 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.65 -43.13 97.97 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.038 -0.983 . . . . 62.41 111.602 -177.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -77.34 -36.62 53.67 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 112.056 0.391 . . . . 71.01 112.056 -174.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.07 -33.17 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 CA-C-N 118.169 0.44 . . . . 63.14 111.298 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.599 ' HE2' HD23 ' A' ' 457' ' ' LEU . 20.1 mmt -85.34 -29.37 24.55 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.375 0.509 . . . . 75.14 112.375 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.33 -34.24 76.92 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.42 0.629 . . . . 64.31 110.07 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -35.54 25.68 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.054 -0.975 . . . . 62.44 108.577 173.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 73.66 149.23 0.1 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.497 1.519 . . . . 72.42 111.052 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.5 m -48.84 116.82 5.68 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 124.959 1.304 . . . . 71.33 111.775 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HG2' HD11 ' A' ' 56' ' ' ILE . 40.2 Cg_endo -65.71 149.1 87.35 Favored 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.472 2.115 . . . . 70.12 111.432 174.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 19.5 Cg_exo -67.36 -20.89 48.06 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.811 2.34 . . . . 75.24 113.01 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.01 59.79 4.91 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 116.433 -0.349 . . . . 44.32 112.891 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.423 HD11 ' HG2' ' A' ' 53' ' ' PRO . 50.9 mm -119.66 113.64 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 N-CA-C 107.969 -1.122 . . . . 64.11 107.969 174.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 t -75.02 173.89 10.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.977 0.511 . . . . 74.42 110.271 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 59' ' ' SER . 1.2 ppt_? -66.85 -23.99 66.09 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.437 0.695 . . . . 72.15 111.731 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 37.2 t -70.04 -55.49 9.4 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.153 0.581 . . . . 64.3 110.291 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.1 -35.64 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.38 1.072 . . . . 52.34 110.955 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.76 -42.07 98.51 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.317 1.047 . . . . 65.14 110.754 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.62 -45.98 81.03 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.204 0.602 . . . . 73.3 110.848 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.2 mtp -52.55 -58.25 7.36 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.676 1.19 . . . . 70.44 110.892 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.9 m -74.31 -22.25 17.86 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-N 115.347 -0.842 . . . . 62.35 112.257 -178.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.56 -38.7 91.07 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 118.392 0.542 . . . . 71.12 109.555 170.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.53 -41.74 89.72 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.498 -0.774 . . . . 71.04 111.845 173.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -65.73 -40.91 92.63 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.123 0.569 . . . . 73.33 112.522 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 64' ' ' VAL . 54.5 mt -74.62 -36.13 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 109.417 -0.586 . . . . 45.23 109.417 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.47 -43.18 99.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.682 0.393 . . . . 72.51 110.933 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.21 -50.41 73.2 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.807 -0.633 . . . . 71.33 110.435 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 68' ' ' ILE . 4.3 t -67.37 -33.97 76.32 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 123.721 0.638 . . . . 75.13 111.226 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.92 -42.86 89.61 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.214 0.606 . . . . 72.31 111.206 175.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.77 -58.28 9.23 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.081 0.863 . . . . 70.24 110.297 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.58 -43.29 99.14 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.896 -1.047 . . . . 62.13 111.518 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.566 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.5 tt0 -73.32 -26.09 60.9 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.063 0.945 . . . . 62.52 111.867 -176.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -73.26 -39.04 65.72 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.227 0.611 . . . . 73.23 110.376 173.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.64 -33.95 74.9 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.7 -0.682 . . . . 75.23 110.181 176.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 75' ' ' GLU . 91.3 mt -65.15 -42.31 93.89 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.51 0.724 . . . . 45.35 110.177 171.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -53.98 -53.69 49.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.308 0.643 . . . . 75.0 110.179 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.44 -51.46 52.15 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.819 0.699 . . . . 72.25 113.502 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.78 -56.29 21.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.99 0.916 . . . . 74.34 110.832 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.403 HD22 HD23 ' A' ' 443' ' ' LEU . 74.7 mt -63.45 -30.89 71.94 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.711 -0.677 . . . . 72.0 111.131 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.74 -39.9 94.41 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 118.142 0.428 . . . . 74.21 110.973 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -60.47 -47.75 84.78 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.709 0.63 . . . . 72.54 109.939 175.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.33 -47.47 85.78 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 115.115 -0.948 . . . . 74.35 111.827 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.58 -32.07 73.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.565 0.746 . . . . 74.25 111.329 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -68.31 -48.8 63.97 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.285 0.634 . . . . 51.5 110.44 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 42.2 mt-10 -63.06 -49.43 74.55 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.5 -0.773 . . . . 54.43 110.645 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 93' ' ' ILE . 94.1 mt -61.23 -43.52 98.75 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.738 0.815 . . . . 61.42 111.017 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.3 t -67.3 -33.32 75.04 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.332 0.653 . . . . 75.25 111.733 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 26.9 t -68.0 -38.3 82.48 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.685 -0.487 . . . . 64.23 109.685 177.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.8 mt -67.59 -42.57 82.27 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.538 -0.756 . . . . 61.53 110.596 176.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 89' ' ' LEU . 92.6 mt -60.19 -38.94 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 123.886 0.874 . . . . 73.31 110.156 175.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.02 -30.19 74.81 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.653 -0.703 . . . . 64.43 113.31 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 91' ' ' SER . 12.5 mm100 -88.47 -43.69 11.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.274 0.63 . . . . 75.31 111.403 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.561 HG23 HG22 ' A' ' 433' ' ' VAL . 23.3 m -87.78 -33.99 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 112.521 0.563 . . . . 71.04 112.521 -167.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 tt . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 108.328 -0.99 . . . . 70.34 108.328 -178.521 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.324 0 N-CA-C 109.983 -0.377 . . . . 70.21 109.983 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.35 -47.59 69.25 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.177 0.991 . . . . 62.15 111.17 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 36.1 mt-10 -70.31 -47.11 62.64 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.255 -0.884 . . . . 73.41 111.533 -173.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.6 t -66.19 -39.86 89.99 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 117.783 0.265 . . . . 74.25 111.383 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . 0.561 HG22 HG23 ' A' ' 96' ' ' VAL . 66.7 t -61.8 -40.36 86.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 N-CA-C 109.767 -0.457 . . . . 73.11 109.767 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.65 -30.9 71.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.434 0.694 . . . . 71.51 111.93 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 64.1 mmt-85 -68.59 -50.18 53.6 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.821 0.448 . . . . 61.41 109.902 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -66.86 -35.82 80.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.163 -0.926 . . . . 71.43 110.894 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -70.77 -40.24 72.74 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.825 0.85 . . . . 75.11 110.38 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.1 -58.16 8.19 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.42 0.45 . . . . 64.02 110.324 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -59.31 -36.15 75.09 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.221 0.608 . . . . 74.31 111.792 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -64.94 -63.88 1.0 Allowed 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.927 -0.397 . . . . 63.33 109.927 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 31.5 m -55.73 -40.33 72.33 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.205 1.002 . . . . 63.12 112.223 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.83 -53.03 30.1 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.668 0.787 . . . . 71.04 111.69 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 34' ' ' LEU . 8.8 mp -73.52 -19.8 60.82 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.606 0.362 . . . . 71.31 111.354 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -81.0 -44.69 17.71 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.077 0.951 . . . . 75.41 110.735 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.1 t -70.24 -31.67 69.18 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.654 -0.499 . . . . 72.45 109.654 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.586 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.7 ttt -62.63 -41.93 99.31 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 115.771 -0.65 . . . . 72.23 109.378 172.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.632 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 28.6 ttm -66.14 -45.78 79.8 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 124.036 0.835 . . . . 75.13 112.422 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 32.8 p -61.4 -43.56 98.66 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 121.152 0.501 . . . . 71.04 110.622 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -67.93 -44.2 77.39 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 115.319 -0.855 . . . . 74.43 111.539 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.632 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 2.4 pp -73.38 -18.65 61.14 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 117.776 0.262 . . . . 52.31 111.161 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -76.19 -47.71 23.09 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.01 0.524 . . . . 72.32 109.815 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -65.01 -36.99 86.18 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.749 -0.659 . . . . 72.15 110.888 177.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 48.2 p -64.59 -61.85 1.95 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.673 -0.679 . . . . 73.41 109.371 177.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 61.6 p -50.57 -32.33 18.32 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.683 0.793 . . . . 75.5 112.697 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.3 t -59.95 -62.95 1.49 Allowed 'General case' 0 CA--C 1.546 0.826 0 O-C-N 123.749 0.655 . . . . 54.33 110.869 174.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 0.9 OUTLIER -71.74 -19.72 62.0 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.664 0.616 . . . . 75.21 112.664 -178.573 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.599 HD23 ' HE2' ' A' ' 48' ' ' MET . 81.6 mt -71.11 -42.23 69.54 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.382 0.673 . . . . 61.13 110.851 176.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.6 t -75.77 -32.73 60.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.209 0.204 . . . . 72.11 110.881 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -60.3 -52.3 65.87 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 121.217 0.532 . . . . 72.33 109.622 171.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . 0.415 HE21 ' HB2' ' A' ' 464' ' ' MET . 24.9 tp60 -61.19 -41.39 96.73 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 114.615 -1.175 . . . . 75.24 111.403 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.88 -48.74 77.69 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.583 0.353 . . . . 74.53 110.678 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 87.2 m -61.51 -37.59 84.27 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 123.853 0.721 . . . . 62.3 111.833 -177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.98 -46.15 24.97 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 120.997 0.427 . . . . 72.13 112.041 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.0 ttm -63.91 -34.09 77.17 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.732 0.813 . . . . 71.55 110.869 -177.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -81.51 -62.7 1.57 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.346 -0.843 . . . . 60.01 109.623 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 80.96 1.84 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.379 0.609 . . . . 74.01 111.579 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.562 1.418 0 C-N-CA 123.108 0.563 . . . . 54.31 110.54 163.372 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p . . . . . 0 N--CA 1.483 1.213 0 N-CA-C 112.824 0.676 . . . . 73.43 112.824 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m -67.63 -26.57 66.3 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.907 -0.588 . . . . 62.23 111.078 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 8' ' ' ILE . 58.7 m -78.13 -39.14 42.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.426 0.69 . . . . 75.42 111.663 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.5 p -71.4 -40.03 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 118.243 0.474 . . . . 61.41 110.683 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.07 -37.6 84.28 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 110.575 -0.157 . . . . 72.34 110.575 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.437 ' HB3' ' O ' ' A' ' 4' ' ' THR . 33.6 t80 -50.02 -53.4 27.03 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 123.759 0.823 . . . . 75.43 110.884 168.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.49 HG12 HG23 ' A' ' 60' ' ' ILE . 94.2 mt -57.2 -62.05 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 C-N-CA 124.069 0.948 . . . . 75.43 111.911 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 55.0 m-80 -61.57 -38.11 86.31 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.355 -0.839 . . . . 71.23 112.137 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' HG13 ' A' ' 14' ' ' ILE . 54.1 mtm180 -72.29 -37.55 68.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 118.654 -0.688 . . . . 74.01 111.058 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -61.93 -39.62 92.7 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 118.5 0.591 . . . . 71.34 111.173 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -55.64 -49.12 73.73 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 123.856 0.722 . . . . 74.45 110.377 172.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 56.6 mmt-85 -62.1 -38.94 90.78 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.83 -0.623 . . . . 72.1 111.318 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 10' ' ' ARG . 88.8 mt -61.15 -45.62 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.687 0.795 . . . . 70.2 110.88 -177.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.51 76.5 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.066 0.395 . . . . 71.51 112.066 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.14 -48.92 77.98 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.297 0.639 . . . . 72.13 111.098 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.6 mt -66.79 -45.79 77.34 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.275 -0.875 . . . . 74.21 110.533 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.495 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 52.6 p -58.4 -43.68 88.66 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.036 0.835 . . . . 63.51 111.591 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -64.73 -45.51 86.18 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.823 0.702 . . . . 74.02 110.991 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.425 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 60.7 m -60.89 -51.66 68.35 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.417 -0.81 . . . . 74.52 111.292 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.671 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.494 0.317 . . . . 62.21 111.701 -176.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.88 -46.0 91.31 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.257 0.551 . . . . 73.21 109.712 171.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.2 -40.09 94.92 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.616 -1.174 . . . . 73.22 110.6 175.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 32' ' ' LEU . 59.2 mt -69.02 -28.58 66.7 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.297 0.639 . . . . 72.44 111.647 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -71.39 -46.44 60.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.362 0.665 . . . . 63.35 110.99 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -74.44 -22.74 58.98 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 122.773 0.429 . . . . 71.23 111.126 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -74.9 -14.71 60.69 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.836 0.854 . . . . 72.1 111.629 172.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.05 9.06 87.22 Favored Glycine 0 C--N 1.351 1.382 0 O-C-N 123.301 0.376 . . . . 74.33 112.779 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -86.07 79.8 9.04 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.172 0.989 . . . . 52.24 109.052 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -71.62 -32.94 68.52 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.29 -0.868 . . . . 74.41 112.21 -172.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -64.09 -43.7 94.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.195 0.521 . . . . 73.53 110.159 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HB3' HD13 ' A' ' 24' ' ' LEU . 88.3 mt -71.06 -38.77 72.5 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.977 -1.01 . . . . 62.24 110.478 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 21' ' ' LEU . 43.0 tp -54.29 -49.35 69.83 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.278 1.031 . . . . 74.22 110.828 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.513 HD21 HD12 ' A' ' 443' ' ' LEU . 81.4 mt -76.5 -23.85 53.73 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.091 -0.959 . . . . 72.03 111.94 -176.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -69.74 -37.45 76.46 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.906 -0.405 . . . . 71.25 109.906 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 76.6 mm-40 -82.82 -27.57 30.8 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.129 -0.487 . . . . 51.13 110.971 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 30.0 tt0 -45.27 -57.16 4.18 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 125.491 1.517 . . . . 50.32 112.186 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.28 -44.94 93.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 124.143 0.902 . . . . 64.12 111.601 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -62.82 -43.27 99.24 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.46 0.704 . . . . 74.01 110.629 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.495 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 25.2 t80 -64.92 -64.12 0.94 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.946 1.298 . . . . 65.02 112.169 -174.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.71 -38.52 88.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.806 0.843 . . . . 70.24 111.428 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -64.4 -38.53 91.35 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.123 0.265 . . . . 73.45 110.787 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.455 ' HA ' HG22 ' A' ' 46' ' ' THR . 69.4 m -64.16 -40.56 96.4 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.007 0.523 . . . . 25.13 111.976 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.629 HG23 HD21 ' A' ' 457' ' ' LEU . 84.4 mt -59.31 -50.01 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-O 121.964 0.888 . . . . 63.32 110.102 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.6 -29.26 63.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.285 -0.87 . . . . 75.15 111.238 -175.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 43' ' ' SER . 2.3 t -77.1 -30.84 55.52 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 117.653 0.206 . . . . 65.42 111.497 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.7 m -72.84 -31.7 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 109.644 -0.502 . . . . 73.44 109.644 170.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.0 mmt -79.95 -7.58 58.86 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.044 0.757 . . . . 74.42 113.044 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.6 -30.17 70.86 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 120.901 0.382 . . . . 74.32 110.46 167.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -87.95 -7.32 57.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.626 0.771 . . . . 64.12 111.539 175.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 59.7 30.21 19.79 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.951 0.9 . . . . 62.13 111.372 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.6 m 62.34 100.24 0.04 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.597 1.159 . . . . 70.31 110.451 -173.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.49 ' O ' HG12 ' A' ' 56' ' ' ILE . 32.5 Cg_exo -58.02 122.12 11.17 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 122.928 2.419 . . . . 73.24 111.325 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 36.8 Cg_exo -62.48 -10.04 17.69 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.86 2.374 . . . . 74.52 114.634 -175.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.89 61.17 4.34 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 112.665 -0.174 . . . . 70.02 112.665 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 53' ' ' PRO . 42.0 mm -120.69 114.37 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.417 1.087 . . . . 73.33 108.344 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 t -75.2 166.08 24.19 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.641 -0.503 . . . . 73.53 109.641 173.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HA ' ' HB3' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -67.31 -20.82 65.67 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.462 0.541 . . . . 74.43 112.462 -173.204 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 63' ' ' MET . 38.4 t -69.51 -52.41 26.68 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.036 0.534 . . . . 72.31 110.141 176.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.49 HG23 HG12 ' A' ' 8' ' ' ILE . 96.7 mt -66.01 -43.3 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.108 0.963 . . . . 61.51 110.069 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 58' ' ' ARG . 32.3 tt0 -49.36 -48.34 46.83 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.753 1.621 . . . . 74.41 111.428 174.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.01 -39.01 72.65 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 123.721 0.638 . . . . 74.52 111.75 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 59' ' ' SER . 43.2 mtm -60.51 -61.82 2.31 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.439 0.637 . . . . 70.15 110.377 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.9 m -62.18 -32.57 55.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-N 114.619 -1.173 . . . . 71.14 112.24 -176.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.73 75.71 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 123.1 0.25 . . . . 73.41 110.55 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.34 -40.87 99.22 Favored Glycine 0 C--N 1.354 1.549 0 N-CA-C 111.748 -0.541 . . . . 75.04 111.748 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.468 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 45.7 m-85 -68.73 -36.68 78.72 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.675 0.62 . . . . 75.34 112.675 177.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 64' ' ' VAL . 59.2 mt -70.7 -38.78 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 108.996 -0.742 . . . . 72.31 108.996 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -46.16 84.82 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.732 0.813 . . . . 64.55 109.601 177.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -65.11 -42.4 93.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.374 -0.83 . . . . 72.34 111.802 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 68' ' ' ILE . 1.9 t -72.22 -32.85 67.12 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.065 0.228 . . . . 63.51 110.93 -175.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.83 -44.23 86.2 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.672 0.789 . . . . 61.3 110.393 176.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 12.5 t70 -54.97 -59.16 5.12 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.742 1.276 . . . . 72.45 110.52 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -62.66 -42.61 99.71 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.851 0.719 . . . . 53.31 111.586 -175.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.574 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.6 tt0 -73.05 -24.35 60.69 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.887 0.875 . . . . 63.41 112.088 -175.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.72 -34.73 60.35 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.433 0.635 . . . . 72.23 110.376 173.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 83.9 mt -73.42 -29.19 62.41 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.51 -0.768 . . . . 63.22 110.39 175.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -67.3 -43.13 82.47 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.209 0.603 . . . . 53.41 109.584 170.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -53.21 -52.36 59.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.56 0.744 . . . . 71.34 110.081 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.24 -52.44 36.16 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 123.535 0.522 . . . . 75.11 113.693 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.94 -50.65 65.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.751 0.82 . . . . 65.15 110.382 -172.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.21 -26.94 64.11 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.013 -0.539 . . . . 73.41 111.146 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.76 -41.54 97.82 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 118.422 0.556 . . . . 64.42 110.36 173.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -58.72 -50.73 72.83 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.105 0.878 . . . . 73.23 109.584 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -57.86 -49.24 77.37 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.184 0.927 . . . . 45.21 111.467 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.05 -36.91 83.09 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.811 0.844 . . . . 72.24 112.007 -175.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.26 -41.7 89.54 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.042 0.537 . . . . 52.34 109.642 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 48.7 mt-10 -67.25 -49.02 66.0 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.936 -1.029 . . . . 73.11 110.773 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.93 -35.93 82.29 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.757 0.823 . . . . 74.4 111.323 -178.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -63.84 -44.08 94.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.308 0.643 . . . . 52.32 110.134 176.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 22.8 t -64.73 -39.83 94.3 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.698 -0.683 . . . . 22.43 110.909 177.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 80.8 mt -62.81 -55.57 25.17 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.408 0.683 . . . . 74.2 111.3 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.77 -34.65 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 124.039 0.837 . . . . 64.32 110.086 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.19 96.93 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 115.665 -0.698 . . . . 75.43 113.727 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 91' ' ' SER . 11.5 mm100 -79.88 -37.04 35.65 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.948 0.374 . . . . 73.45 111.548 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.33 -36.4 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 112.702 0.63 . . . . 75.53 112.702 -172.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 tt . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 108.239 -1.022 . . . . 73.44 108.239 -178.755 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.285 -0.265 . . . . 73.11 110.285 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -55.42 -52.76 62.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.715 0.806 . . . . 73.24 111.07 171.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 38.0 mt-10 -66.85 -38.97 87.4 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.615 -1.175 . . . . 73.44 111.112 -173.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 6.1 t -70.76 -36.26 73.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 110.199 -0.297 . . . . 64.52 110.199 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.31 -44.52 94.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 C-N-CA 123.021 0.528 . . . . 70.41 109.993 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.82 -47.41 75.16 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.547 0.739 . . . . 75.3 111.701 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 21.2 mmt180 -76.48 -36.41 57.87 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.74 0.416 . . . . 75.21 110.96 -173.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -74.46 -26.13 59.84 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 119.215 -0.422 . . . . 71.21 110.914 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -73.98 -31.02 62.79 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.793 0.437 . . . . 41.21 109.868 171.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.15 69.68 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.033 -0.729 . . . . 60.14 109.033 172.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 25.1 mm-40 -65.78 -38.91 90.31 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.143 -0.48 . . . . 64.5 110.74 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -69.79 -64.37 0.9 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.707 0.403 . . . . 73.0 110.284 -177.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 36.1 m -57.91 -36.48 72.5 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.006 0.922 . . . . 64.43 112.466 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -71.53 -44.07 65.3 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.433 0.293 . . . . 72.32 111.787 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.513 HD12 HD21 ' A' ' 34' ' ' LEU . 10.6 mp -72.68 -19.7 61.37 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.359 0.263 . . . . 74.22 111.1 174.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -82.36 -45.78 14.44 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.275 1.03 . . . . 72.42 110.598 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.0 t -68.51 -31.25 70.37 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.359 -0.608 . . . . 73.14 109.359 175.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.624 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.6 ttt -62.19 -46.84 87.14 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 115.731 -0.668 . . . . 75.15 109.479 170.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.56 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 7.2 ttm -63.33 -44.61 94.42 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.143 0.902 . . . . 74.13 112.517 -176.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 34.2 p -64.27 -40.61 96.33 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.745 0.418 . . . . 73.14 110.423 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -70.6 -41.36 72.4 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.963 -0.562 . . . . 64.23 111.584 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.624 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -75.62 -21.57 57.64 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.15 0.432 . . . . 72.21 110.507 -175.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -71.48 -48.65 47.83 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 108.933 -0.765 . . . . 74.5 108.933 172.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -60.48 -47.99 83.72 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.57 1.169 . . . . 74.02 110.084 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 40.2 p -62.14 -62.01 2.07 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.243 -0.89 . . . . 63.01 109.781 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 85.0 p -51.02 -32.12 20.46 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.665 0.786 . . . . 71.4 112.873 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.8 t -62.11 -61.96 2.11 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.298 0.639 . . . . 73.14 110.755 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -73.18 -20.19 60.94 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.156 0.428 . . . . 72.34 112.156 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.629 HD21 HG23 ' A' ' 44' ' ' ILE . 39.4 mt -73.09 -42.02 63.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.488 0.715 . . . . 55.2 110.621 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.5 t -74.13 -32.98 63.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.194 0.309 . . . . 72.44 110.409 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -66.7 -46.68 74.78 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.776 0.43 . . . . 62.43 110.85 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -66.61 -32.47 73.81 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.517 0.727 . . . . 74.43 110.8 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -62.85 -54.9 31.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.415 0.686 . . . . 71.34 109.534 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 30.2 m -65.41 -34.34 78.08 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.105 0.878 . . . . 75.01 111.132 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -78.57 -54.6 5.96 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.712 0.405 . . . . 71.14 111.71 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 47.5 ttp -64.57 -31.49 72.73 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.167 0.187 . . . . 62.23 110.724 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -74.02 -71.52 0.32 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 109.392 -0.595 . . . . 71.45 109.392 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.47 77.71 1.6 Allowed 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 112.384 0.512 . . . . 75.42 112.384 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.483 1.202 0 O-C-N 121.542 -0.724 . . . . 74.32 109.192 166.77 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.6 p . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 113.414 0.894 . . . . 65.03 113.414 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -63.93 -37.21 86.56 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.625 0.77 . . . . 73.35 111.673 -175.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 20.8 m -78.2 -34.76 49.23 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.848 -0.615 . . . . 70.21 111.538 -176.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.44 -39.56 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.145 0.43 . . . . 52.21 110.533 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.61 -39.93 94.59 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 109.505 -0.554 . . . . 73.51 109.505 176.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 4' ' ' THR . 74.9 t80 -50.42 -54.24 23.43 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 124.182 0.993 . . . . 75.23 110.876 170.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 60' ' ' ILE . 96.5 mt -56.03 -61.28 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 124.512 1.125 . . . . 74.25 112.202 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 59.0 m-80 -65.94 -36.74 84.19 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.93 -0.577 . . . . 74.34 112.21 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.465 ' O ' HG13 ' A' ' 14' ' ' ILE . 49.9 mtm180 -73.34 -41.02 63.97 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 118.893 -0.575 . . . . 65.51 111.256 -177.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 58.3 m95 -60.77 -36.88 80.07 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 118.064 0.393 . . . . 73.13 110.85 173.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.1 tt0 -59.16 -44.3 92.13 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 115.608 -0.723 . . . . 71.55 109.929 174.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 49.6 mmt-85 -62.91 -43.47 98.71 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 123.485 0.49 . . . . 73.44 110.849 176.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.7 mt -58.01 -42.18 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 123.88 0.872 . . . . 73.21 110.92 -176.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.91 -44.13 66.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.016 0.527 . . . . 33.11 112.231 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 98.1 mt -64.35 -45.21 88.79 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.275 0.63 . . . . 71.22 110.855 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.8 mt -67.89 -48.08 67.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.075 0.95 . . . . 72.11 109.981 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.473 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 61.4 p -56.28 -42.85 78.14 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.795 0.684 . . . . 71.42 111.431 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.34 -48.81 80.14 Favored 'General case' 0 C--O 1.245 0.846 0 O-C-N 124.361 1.038 . . . . 74.32 111.194 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 69.1 m -59.95 -60.13 4.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.881 -1.054 . . . . 74.12 111.293 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.631 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.1 pp -68.71 -19.85 64.38 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.78 0.832 . . . . 61.52 112.103 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.61 -55.41 23.91 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.626 -0.509 . . . . 74.43 109.626 170.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.61 -24.63 66.35 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 124.171 0.92 . . . . 73.12 111.519 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 21' ' ' LEU . 84.8 mt -74.13 -44.92 51.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.674 0.79 . . . . 71.11 110.448 175.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -66.16 -35.91 81.71 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.406 0.682 . . . . 74.14 110.88 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -68.26 -39.15 82.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.872 1.269 . . . . 64.1 110.394 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -75.41 -25.94 57.97 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.44 0.696 . . . . 65.11 110.812 177.311 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.76 7.46 55.47 Favored Glycine 0 C--N 1.348 1.232 0 O-C-N 123.633 0.583 . . . . 60.4 113.072 -176.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 6.1 mm-40 -73.78 90.93 1.89 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.565 0.746 . . . . 64.53 109.666 175.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -82.22 -34.37 28.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.238 0.615 . . . . 72.1 112.01 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.85 -43.12 99.49 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.928 0.491 . . . . 72.42 109.803 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.448 ' HB3' HD13 ' A' ' 24' ' ' LEU . 71.4 mt -75.26 -36.17 61.28 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.164 -0.926 . . . . 73.34 111.248 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 21' ' ' LEU . 58.0 tp -56.0 -51.2 68.59 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.147 0.579 . . . . 73.14 110.557 175.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.492 HD21 HD12 ' A' ' 443' ' ' LEU . 64.2 mt -78.97 -19.91 50.5 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.721 -1.127 . . . . 74.52 111.627 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.94 -37.57 75.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.859 0.463 . . . . 72.42 110.534 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 76.3 mm-40 -86.62 -25.84 24.72 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 122.742 0.417 . . . . 71.31 110.932 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -44.44 -57.71 3.4 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 125.809 1.644 . . . . 64.4 112.261 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.2 m -56.59 -49.63 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 114.475 -1.239 . . . . 54.55 111.788 -172.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -67.57 -44.44 78.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.582 0.753 . . . . 75.33 110.915 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.9 t80 -59.26 -60.89 3.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.259 1.423 . . . . 72.33 112.065 -175.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.88 -40.9 94.77 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.04 0.838 . . . . 73.11 110.205 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.56 -38.81 82.11 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.158 0.583 . . . . 74.54 111.756 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -65.61 -41.91 92.22 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.321 0.649 . . . . 61.11 111.027 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.509 HG23 HD21 ' A' ' 457' ' ' LEU . 57.9 mt -63.27 -42.57 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 121.884 0.85 . . . . 55.31 110.216 175.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.99 -37.17 85.28 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.943 -1.026 . . . . 63.52 111.795 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 t -84.68 -26.4 27.78 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 112.525 0.565 . . . . 73.33 112.525 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.85 -37.5 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-N 118.709 0.686 . . . . 70.35 109.94 171.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mmt -80.71 -18.25 48.47 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 116.057 -0.52 . . . . 62.11 111.993 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -67.15 -34.43 77.55 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.046 0.938 . . . . 50.13 109.761 170.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -89.2 9.38 25.94 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 114.886 -1.052 . . . . 72.12 110.168 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 71.2 -0.4 3.1 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.123 1.769 . . . . 74.01 112.942 168.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.41 HG23 ' HE1' ' A' ' 7' ' ' PHE . 93.9 m 57.11 90.37 0.09 OUTLIER Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 124.308 1.043 . . . . 65.03 110.324 -167.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.468 ' O ' HG12 ' A' ' 56' ' ' ILE . 53.1 Cg_exo -53.75 130.18 37.75 Favored 'Trans proline' 0 C--N 1.386 2.517 0 C-N-CA 122.99 2.46 . . . . 71.41 111.844 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.61 2.63 7.61 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.203 1.935 . . . . 72.02 113.773 -175.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.82 35.17 4.06 Favored Glycine 0 C--N 1.349 1.296 0 C-N-CA 122.867 0.27 . . . . 43.11 113.14 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 53' ' ' PRO . 36.6 mm -84.57 121.09 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.086 0.954 . . . . 74.05 109.539 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -81.69 174.15 11.65 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 122.897 0.479 . . . . 73.43 110.663 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' A' ' 59' ' ' SER . 7.0 ppt_? -67.47 -34.89 78.1 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.491 0.923 . . . . 72.24 113.491 -165.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.441 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 48.5 t -69.85 -40.11 75.99 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.234 0.54 . . . . 53.13 110.333 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.545 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 74.4 mt -72.35 -39.91 64.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 114.999 -1.001 . . . . 72.21 109.987 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.22 -41.06 96.2 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.919 0.888 . . . . 62.4 110.5 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.61 -48.84 77.67 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.792 0.683 . . . . 72.12 110.899 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.545 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 54.8 mtm -57.2 -53.66 55.56 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 123.689 0.618 . . . . 74.3 110.584 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 68' ' ' ILE . 19.6 m -75.1 -23.8 17.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-N 115.91 -0.586 . . . . 74.44 112.488 -173.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.27 81.54 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.34 -0.615 . . . . 62.34 109.34 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.88 97.72 Favored Glycine 0 C--N 1.351 1.394 0 CA-C-N 115.554 -0.748 . . . . 70.43 112.055 171.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.4 m-85 -67.75 -39.06 84.22 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.012 0.525 . . . . 61.05 111.882 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 64' ' ' VAL . 70.3 mt -70.74 -41.37 77.54 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 108.981 -0.748 . . . . 74.43 108.981 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -54.84 -47.79 73.7 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.416 0.686 . . . . 71.33 111.189 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.63 -48.26 77.99 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.475 -0.784 . . . . 74.3 110.716 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 68' ' ' ILE . 2.2 t -69.24 -26.91 65.02 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 123.366 0.416 . . . . 74.01 111.128 -175.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 68' ' ' ILE . 60.0 mt -69.36 -46.43 67.01 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 122.714 0.406 . . . . 72.54 110.405 175.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.17 -58.35 8.6 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.435 1.084 . . . . 70.1 110.426 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -62.79 -44.86 95.07 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.136 -0.938 . . . . 51.23 111.941 -173.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.594 ' HA ' HD12 ' A' ' 78' ' ' LEU . 42.6 tt0 -76.21 -23.95 54.65 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.546 0.738 . . . . 64.22 112.271 -174.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -73.0 -37.76 66.85 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.038 0.446 . . . . 73.13 110.11 171.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.88 -34.87 79.12 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.679 -0.692 . . . . 54.4 110.348 174.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 75' ' ' GLU . 87.4 mt -65.12 -44.66 88.0 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.158 0.583 . . . . 71.13 110.564 172.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 63.0 tttp -51.03 -54.45 24.56 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.994 0.918 . . . . 61.42 110.609 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.01 -44.08 37.91 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 114.616 0.607 . . . . 51.33 114.616 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.54 -53.62 48.93 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.446 0.698 . . . . 74.21 110.027 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.7 -26.12 66.02 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.602 -0.726 . . . . 63.25 110.993 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 7.6 tt0 -62.48 -44.2 96.96 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 118.476 0.58 . . . . 63.3 110.54 173.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -58.02 -51.2 70.66 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.124 0.89 . . . . 60.3 109.316 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -55.52 -45.42 77.13 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.307 1.004 . . . . 74.21 111.532 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.7 mt -71.7 -34.55 69.72 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.939 0.496 . . . . 71.31 111.519 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.38 -38.52 84.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.135 0.574 . . . . 72.33 110.209 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 40.2 mt-10 -66.22 -55.72 14.85 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.064 -0.971 . . . . 64.23 109.926 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 93' ' ' ILE . 94.0 mt -58.09 -44.79 87.81 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 124.06 0.944 . . . . 74.41 110.607 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.6 t -57.64 -46.85 83.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.787 0.835 . . . . 73.32 111.654 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.8 t -63.84 -36.26 83.32 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.735 -0.666 . . . . 73.22 110.948 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.0 mt -70.0 -43.19 71.9 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.417 0.687 . . . . 74.32 110.982 177.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 89' ' ' LEU . 96.4 mt -61.83 -40.39 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.549 1.139 . . . . 74.42 110.124 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.81 -27.1 67.91 Favored Glycine 0 C--N 1.347 1.166 0 O-C-N 123.193 0.308 . . . . 72.3 113.575 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -78.87 -42.9 26.23 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.507 0.723 . . . . 73.4 111.292 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.495 HG23 HG22 ' A' ' 433' ' ' VAL . 16.1 m -101.95 -16.18 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 113.726 1.01 . . . . 74.53 113.726 -168.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.559 ' HG ' HG11 ' A' ' 433' ' ' VAL . 3.4 tt . . . . . 0 N--CA 1.484 1.268 0 N-CA-C 107.727 -1.212 . . . . 75.21 107.727 177.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.549 -0.167 . . . . 72.2 110.549 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -55.61 -54.12 48.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.423 0.689 . . . . 74.14 111.284 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 55.6 mt-10 -63.8 -52.61 59.45 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.717 1.26 . . . . 43.25 111.511 -173.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.6 t -60.21 -47.64 85.11 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 123.393 0.433 . . . . 74.21 111.183 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . 0.559 HG11 ' HG ' ' A' ' 97' ' ' LEU . 75.3 t -63.88 -44.03 97.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 123.202 0.601 . . . . 63.41 110.577 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -61.92 -31.84 72.19 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.256 0.622 . . . . 63.15 112.053 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 38.6 mmt-85 -72.3 -44.7 62.35 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.542 0.337 . . . . 74.54 110.444 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -64.87 -35.59 81.61 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.198 0.311 . . . . 74.5 110.905 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -73.0 -40.92 64.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.989 0.915 . . . . 71.33 110.562 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.7 72.76 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.866 0.467 . . . . 72.03 110.595 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -60.08 -41.04 91.62 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.073 0.549 . . . . 72.15 111.54 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.31 -55.29 36.66 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.538 0.523 . . . . 74.43 109.983 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.5 m -64.87 -33.38 75.87 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.664 1.186 . . . . 74.24 112.437 -173.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -76.53 -45.41 30.9 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.378 0.671 . . . . 74.52 111.538 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.492 HD12 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -71.4 -19.62 62.24 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 122.665 0.386 . . . . 40.2 110.353 173.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.2 -48.75 19.27 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.359 1.064 . . . . 71.41 111.029 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -68.06 -34.48 76.54 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 109.8 -0.445 . . . . 62.21 109.8 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.591 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -61.25 -44.61 96.97 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.711 0.632 . . . . 72.05 109.589 173.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.615 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 45.6 ttm -66.93 -47.22 72.37 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 124.109 0.88 . . . . 75.43 112.569 -176.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 16.3 p -60.99 -41.16 95.93 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 122.949 0.5 . . . . 74.32 110.674 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -70.8 -41.87 71.03 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.385 -0.825 . . . . 53.3 111.348 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.615 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 1.9 pp -74.94 -18.39 60.41 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 118.268 0.486 . . . . 54.41 110.987 -176.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -79.96 -43.77 21.46 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.688 0.795 . . . . 73.15 109.412 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -59.85 -50.15 74.93 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 115.206 -0.906 . . . . 54.01 110.032 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 59.2 p -61.22 -57.96 10.25 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.032 -0.985 . . . . 40.24 110.101 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 81.4 p -50.03 -37.42 32.98 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.835 0.854 . . . . 71.01 112.786 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.9 t -59.56 -60.78 3.29 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 124.143 0.902 . . . . 72.33 111.114 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -75.32 -19.33 59.7 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.647 0.61 . . . . 72.25 112.647 -177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.509 HD21 HG23 ' A' ' 44' ' ' ILE . 47.5 mt -75.11 -42.47 56.46 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.504 0.722 . . . . 61.12 110.496 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.4 t -72.25 -31.33 65.7 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.969 -0.382 . . . . 61.43 109.969 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -65.93 -44.02 86.36 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.734 0.413 . . . . 62.24 111.051 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -69.8 -28.05 65.4 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.532 0.733 . . . . 64.03 110.802 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -72.56 -48.51 39.52 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.87 0.468 . . . . 64.43 110.167 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 45.5 m -57.37 -42.52 82.25 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.312 1.008 . . . . 70.53 110.082 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.0 -47.85 56.5 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 123.741 0.65 . . . . 62.21 112.404 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.423 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.6 ttm -66.6 -31.63 72.44 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 122.857 0.463 . . . . 74.04 110.621 -173.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -84.82 -63.84 1.26 Allowed 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.879 -0.601 . . . . 72.55 109.884 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.58 81.74 2.0 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.269 0.628 . . . . 74.13 112.181 174.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.253 1.278 0 O-C-N 121.275 -0.891 . . . . 75.43 110.383 166.803 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.443 ' HA ' HG12 ' A' ' 5' ' ' VAL . 18.1 p . . . . . 0 CA--C 1.539 0.55 0 N-CA-C 113.762 1.023 . . . . 74.45 113.762 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -58.92 -43.86 91.18 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.576 0.703 . . . . 62.14 111.902 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 61.1 m -75.72 -35.62 60.21 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.325 -0.852 . . . . 74.14 111.597 -177.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 2' ' ' THR . 9.8 p -74.79 -39.82 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 122.048 -0.408 . . . . 60.13 110.677 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.43 -36.64 84.55 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 121.478 0.656 . . . . 73.12 109.906 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 4' ' ' THR . 74.8 t80 -53.92 -61.37 2.35 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 114.848 -1.069 . . . . 65.5 110.742 171.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.414 HG12 HG23 ' A' ' 60' ' ' ILE . 94.1 mt -57.96 -55.6 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 124.19 0.996 . . . . 72.5 111.942 -177.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -53.65 -48.31 69.52 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.754 -1.112 . . . . 71.22 112.387 -176.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.482 ' O ' HG13 ' A' ' 14' ' ' ILE . 21.4 mtm180 -80.57 -26.11 38.15 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 118.249 -0.881 . . . . 72.52 111.813 -174.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.441 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 47.0 m95 -66.63 -39.04 88.11 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.146 0.885 . . . . 55.32 110.222 171.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -57.46 -46.13 83.99 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.715 0.635 . . . . 62.5 109.965 171.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -58.82 -45.57 89.65 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.569 -0.741 . . . . 74.42 110.991 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 10' ' ' ARG . 93.2 mt -57.39 -44.13 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.771 0.829 . . . . 64.32 110.748 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.73 -43.1 76.65 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.53 0.567 . . . . 73.11 112.53 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.83 -46.28 82.6 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 116.058 -0.519 . . . . 74.43 111.348 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.5 mt -68.13 -46.15 71.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.953 0.901 . . . . 75.2 109.917 -175.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.537 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 48.0 p -58.58 -47.5 84.06 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.759 0.662 . . . . 72.14 111.135 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.39 -46.72 83.13 Favored 'General case' 0 C--O 1.243 0.735 0 O-C-N 124.389 1.056 . . . . 74.4 111.758 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.464 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.3 m -61.29 -60.09 4.27 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.505 -0.771 . . . . 72.45 110.391 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.612 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -66.24 -23.21 66.38 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.268 0.627 . . . . 72.11 111.868 -175.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 74' ' ' ASN . 51.6 tp -62.2 -55.98 23.18 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 109.312 -0.625 . . . . 70.53 109.312 173.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.09 -35.3 78.27 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.398 1.061 . . . . 73.3 111.065 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.587 HD13 ' HB3' ' A' ' 32' ' ' LEU . 69.3 mt -65.89 -46.39 78.51 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.505 0.722 . . . . 73.35 110.542 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.54 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -67.21 -34.91 78.5 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.987 0.915 . . . . 64.52 111.935 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.77 -25.45 53.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.477 1.111 . . . . 75.23 110.494 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -77.94 -25.24 48.17 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.656 -0.702 . . . . 74.34 110.456 168.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.16 0.88 47.95 Favored Glycine 0 C--N 1.349 1.279 0 CA-C-N 115.934 -0.575 . . . . 71.41 113.237 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.14 83.27 1.81 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.508 0.723 . . . . 74.14 109.892 171.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.429 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 34.2 m95 -67.03 -35.91 80.93 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 114.951 -1.022 . . . . 73.43 110.707 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -56.69 -46.96 80.88 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.761 0.663 . . . . 62.32 110.963 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.587 ' HB3' HD13 ' A' ' 24' ' ' LEU . 75.2 mt -73.29 -34.73 65.91 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.374 -0.83 . . . . 61.13 111.058 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' A' ' 21' ' ' LEU . 33.7 tp -54.4 -52.83 60.48 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.888 0.875 . . . . 71.42 111.21 171.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD21 HD12 ' A' ' 443' ' ' LEU . 65.9 mt -70.64 -28.42 64.81 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.718 1.207 . . . . 54.25 111.444 -174.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -59.89 -45.34 92.8 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.417 0.627 . . . . 74.4 109.77 172.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 89.7 mm-40 -87.57 -14.16 40.93 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.871 -1.059 . . . . 72.33 111.942 -176.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.83 -57.77 9.1 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.551 1.14 . . . . 73.41 110.929 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 m -58.58 -41.38 81.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-N 114.223 -1.353 . . . . 74.43 111.422 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -64.19 -45.15 89.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.558 0.743 . . . . 61.33 110.568 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 17.8 t80 -67.35 -60.62 2.43 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.505 -1.225 . . . . 62.53 111.466 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.46 -39.06 86.2 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.883 0.739 . . . . 74.55 110.72 -177.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -62.89 -40.23 96.89 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.279 0.632 . . . . 65.34 111.369 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -62.1 -40.16 94.92 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.64 0.376 . . . . 75.32 111.262 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.411 HG23 HD21 ' A' ' 457' ' ' LEU . 57.2 mt -64.78 -42.33 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 121.229 0.538 . . . . 64.05 110.256 174.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.9 -46.19 88.97 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.633 -0.712 . . . . 71.31 111.277 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -72.69 -33.45 66.52 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 112.346 0.499 . . . . 73.05 112.346 -173.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.68 -33.17 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-N 118.328 0.513 . . . . 74.12 110.707 173.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.4 mmt -81.58 -20.34 40.07 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.486 0.55 . . . . 74.04 112.486 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -77.21 -31.07 54.99 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.011 0.524 . . . . 73.41 110.533 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -84.82 -5.39 59.33 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 115.807 -0.633 . . . . 72.34 109.821 171.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 65.34 14.0 9.16 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.808 1.643 . . . . 73.03 113.387 167.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.407 HG23 ' CE1' ' A' ' 7' ' ' PHE . 71.0 m 64.59 113.63 0.03 OUTLIER Pre-proline 0 CA--C 1.561 1.395 0 C-N-CA 124.403 1.081 . . . . 63.55 110.816 -170.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HG2' HD11 ' A' ' 56' ' ' ILE . 33.3 Cg_endo -63.12 146.62 94.42 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.572 2.182 . . . . 75.41 111.771 173.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 10.5 Cg_exo -72.91 -15.28 26.44 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.98 2.453 . . . . 72.21 113.209 177.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.51 59.77 4.89 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 123.008 0.337 . . . . 73.43 112.894 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.491 HD11 ' HG2' ' A' ' 53' ' ' PRO . 43.9 mm -118.77 109.78 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.438 1.095 . . . . 64.12 108.82 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.4 t -76.39 172.5 12.82 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.331 0.653 . . . . 73.32 110.47 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -27.29 66.24 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.527 0.731 . . . . 72.04 112.141 -171.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 63' ' ' MET . 34.8 t -71.15 -47.12 59.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.22 0.608 . . . . 72.11 109.807 178.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.616 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 89.7 mt -64.19 -42.99 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 115.604 -0.725 . . . . 53.42 110.2 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -51.36 -50.9 58.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.591 1.157 . . . . 75.35 110.748 173.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.06 -43.92 94.02 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.487 -0.779 . . . . 65.42 111.346 -176.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.616 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 35.1 mtm -60.36 -59.79 4.85 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.455 0.472 . . . . 75.05 110.159 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 68' ' ' ILE . 29.9 m -64.99 -37.59 80.65 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-N 115.451 -0.795 . . . . 70.53 111.667 -173.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.14 -32.17 73.72 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 118.07 0.395 . . . . 74.2 110.645 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.74 -45.89 94.81 Favored Glycine 0 C--N 1.347 1.148 0 N-CA-C 111.556 -0.618 . . . . 74.22 111.556 170.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.448 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 37.5 m-85 -64.47 -33.48 75.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.998 0.519 . . . . 73.45 111.717 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 64' ' ' VAL . 73.2 mt -69.52 -44.25 79.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 108.722 -0.844 . . . . 71.02 108.722 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.3 -40.4 94.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.126 0.57 . . . . 73.5 110.773 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 26.1 mt-30 -62.66 -49.63 74.37 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.858 -0.61 . . . . 73.24 110.529 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -68.75 -30.07 68.6 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.244 -0.889 . . . . 62.14 111.021 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.23 -39.63 82.28 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.875 0.87 . . . . 53.25 110.757 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.72 -50.9 69.29 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.887 0.742 . . . . 52.14 109.95 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.401 ' HA ' HD22 ' A' ' 22' ' ' LEU . 12.1 m120 -62.46 -45.36 93.42 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.864 -1.062 . . . . 73.11 110.726 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.5 tt0 -77.54 -20.73 53.7 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.22 1.008 . . . . 74.53 111.75 -176.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.48 -41.07 76.66 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.222 0.609 . . . . 64.34 109.59 171.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.7 -37.14 76.49 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.966 -1.016 . . . . 74.24 110.6 175.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -63.28 -39.41 94.51 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.008 0.523 . . . . 62.54 110.095 174.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -57.39 -56.04 26.98 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.418 0.687 . . . . 71.23 109.962 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.7 -57.29 12.89 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-N 115.638 -0.71 . . . . 64.21 112.913 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.86 -58.63 7.29 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.909 1.283 . . . . 55.03 111.005 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 79.5 mt -65.88 -36.01 82.24 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 119.022 -0.513 . . . . 71.21 111.462 -174.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.62 -39.23 93.35 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 118.337 0.517 . . . . 64.53 111.188 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.67 -47.62 85.45 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.012 -0.54 . . . . 74.54 110.038 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -57.23 -46.14 83.23 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 123.659 0.783 . . . . 74.41 111.193 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 92.5 mt -66.66 -32.29 73.52 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.661 0.785 . . . . 71.52 111.418 -178.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.62 -47.44 69.64 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.482 0.658 . . . . 72.13 110.011 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 39.7 mt-10 -65.2 -44.14 89.33 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.525 -1.216 . . . . 73.05 110.448 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.449 ' O ' HG13 ' A' ' 93' ' ' ILE . 83.4 mt -64.49 -39.8 94.48 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.508 0.723 . . . . 61.23 110.781 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -63.77 -39.2 93.68 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.322 0.649 . . . . 64.03 110.6 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 t -67.41 -37.18 82.68 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.174 -0.921 . . . . 71.11 110.679 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 97.9 mt -66.66 -42.53 86.47 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.242 0.617 . . . . 74.52 110.634 177.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 89' ' ' LEU . 84.3 mt -64.61 -37.44 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 123.874 0.87 . . . . 71.33 109.999 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.72 -20.5 66.29 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 116.023 -0.535 . . . . 52.55 113.793 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -98.15 -41.43 7.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.068 0.947 . . . . 70.52 111.367 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.476 HG23 HG22 ' A' ' 433' ' ' VAL . 35.1 m -83.53 -33.04 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 122.918 0.487 . . . . 53.21 111.731 -172.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.6 tt . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 108.128 -1.064 . . . . 71.11 108.128 177.623 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.984 0 N-CA-C 110.073 -0.343 . . . . 74.24 110.073 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.9 -51.43 63.72 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.341 0.657 . . . . 72.21 111.399 173.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 39.6 mt-10 -62.5 -51.73 66.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.821 0.848 . . . . 72.35 111.2 -173.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.1 t -67.07 -40.31 87.0 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.399 0.437 . . . . 74.04 111.252 -177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . 0.497 ' HA ' ' HD2' ' A' ' 436' ' ' TYR . 79.3 t -69.17 -31.19 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 122.359 0.263 . . . . 71.31 110.472 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.38 60.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 119.143 -0.456 . . . . 74.45 111.033 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 28.7 mmt180 -72.38 -40.99 66.83 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.974 0.509 . . . . 75.33 110.059 172.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . 0.497 ' HD2' ' HA ' ' A' ' 433' ' ' VAL . 50.5 m-85 -62.23 -51.51 67.45 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.978 -0.379 . . . . 72.12 109.978 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -65.33 -30.81 71.69 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.854 1.346 . . . . 74.41 111.153 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.79 -61.63 1.96 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.266 -0.642 . . . . 72.04 109.266 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -63.69 -28.41 69.88 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.722 0.409 . . . . 72.34 111.204 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -65.37 -63.57 1.07 Allowed 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 115.668 -0.696 . . . . 73.42 109.54 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 34.2 m -67.93 -32.93 73.73 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.994 0.918 . . . . 74.02 112.33 -171.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.09 -53.61 35.94 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.061 0.945 . . . . 75.25 111.041 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.518 HD12 HD21 ' A' ' 34' ' ' LEU . 7.4 mp -71.35 -18.39 62.38 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.207 -0.452 . . . . 73.01 110.661 177.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.2 -46.23 23.97 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.235 1.014 . . . . 50.05 111.242 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.9 t -66.44 -37.8 85.98 Favored 'General case' 0 C--O 1.247 0.939 0 N-CA-C 108.7 -0.852 . . . . 71.52 108.7 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.645 ' HG2' HD23 ' A' ' 450' ' ' LEU . 24.9 ttt -63.35 -42.84 98.93 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 115.888 -0.597 . . . . 75.44 110.115 173.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -53.79 54.32 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.945 0.898 . . . . 54.44 111.449 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 31.8 p -61.17 -40.73 94.97 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 123.998 0.811 . . . . 71.31 111.091 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -72.36 -40.77 67.09 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 116.024 -0.535 . . . . 75.35 111.522 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.645 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -74.25 -25.01 59.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 109.987 -0.375 . . . . 74.35 109.987 -175.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -73.54 -46.11 49.54 Favored 'General case' 0 C--O 1.246 0.873 0 C-N-CA 123.367 0.667 . . . . 75.44 109.458 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.78 -46.82 88.01 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.042 -0.981 . . . . 73.14 110.536 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 41.6 p -62.15 -62.6 1.66 Allowed 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 118.466 -0.778 . . . . 74.13 110.133 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 77.8 p -52.58 -31.05 34.24 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.34 0.656 . . . . 62.1 112.521 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.421 ' O ' HG22 ' A' ' 458' ' ' THR . 35.3 t -59.66 -64.99 0.75 Allowed 'General case' 0 CA--C 1.554 1.097 0 O-C-N 123.495 0.497 . . . . 64.01 110.831 173.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -72.76 -19.4 61.37 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.366 0.506 . . . . 73.44 112.366 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.411 HD21 HG23 ' A' ' 44' ' ' ILE . 49.0 mt -76.66 -36.34 57.4 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.816 0.846 . . . . 73.23 110.788 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 455' ' ' SER . 5.2 t -73.27 -33.03 65.02 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.337 -0.616 . . . . 73.03 109.337 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -66.79 -37.74 85.16 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 123.419 0.45 . . . . 64.23 110.741 169.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -65.94 -40.35 91.3 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.688 0.795 . . . . 51.2 110.699 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -62.0 -53.1 60.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.538 0.735 . . . . 75.31 110.042 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 16.5 m -63.16 -36.09 82.46 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.085 -0.961 . . . . 71.31 111.838 -176.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -77.15 -52.61 8.98 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.913 0.485 . . . . 73.44 111.097 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.6 ttm -61.37 -34.55 75.5 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.756 -0.657 . . . . 73.21 110.677 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -76.58 -66.14 0.85 Allowed 'General case' 0 CA--C 1.553 1.083 0 O-C-N 123.922 0.764 . . . . 74.41 109.237 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.39 82.97 2.07 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.803 0.841 . . . . 72.41 112.321 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 CA--C 1.561 1.392 0 CA-C-O 118.551 -0.738 . . . . 72.33 110.361 162.523 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.8 p . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 111.869 0.322 . . . . 70.43 111.869 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -62.57 -38.54 90.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.65 0.78 . . . . 74.1 111.253 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 27.7 m -73.34 -42.11 62.66 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.524 -0.762 . . . . 54.21 111.606 -177.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 p -69.62 -38.92 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 110.449 -0.204 . . . . 65.32 110.449 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.2 -35.91 78.73 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 120.591 0.234 . . . . 75.3 110.433 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CD1' ' HD2' ' A' ' 53' ' ' PRO . 35.8 t80 -52.4 -58.69 5.92 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.085 0.954 . . . . 75.32 110.304 170.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.47 HD11 HD13 ' A' ' 60' ' ' ILE . 89.9 mt -57.36 -53.62 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 124.7 1.2 . . . . 72.41 111.835 -177.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.411 HD22 ' N ' ' A' ' 9' ' ' ASN . 0.8 OUTLIER -61.78 -44.33 97.09 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.009 -0.996 . . . . 75.32 111.66 -173.016 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 14' ' ' ILE . 78.0 mtm180 -78.7 -26.3 44.86 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.294 -0.412 . . . . 74.54 111.632 -177.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.48 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 35.2 m95 -67.12 -36.46 81.94 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 118.112 0.415 . . . . 71.22 110.191 169.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.68 -39.89 93.02 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.612 0.57 . . . . 61.51 109.796 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -57.84 -55.73 31.07 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.747 -0.66 . . . . 74.13 109.766 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 10' ' ' ARG . 97.3 mt -52.05 -48.22 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 124.331 1.052 . . . . 60.31 111.811 -176.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.0 -50.89 60.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.462 0.705 . . . . 65.43 112.214 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.16 -33.97 70.52 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.044 -0.525 . . . . 61.45 111.792 -175.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 85.0 mt -68.91 -53.12 22.79 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 118.803 -0.618 . . . . 73.54 109.722 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.0 p -54.55 -42.5 71.01 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 123.997 0.811 . . . . 72.21 111.259 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -56.97 -55.17 38.09 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.447 1.092 . . . . 73.32 111.487 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -63.28 -52.02 63.72 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.547 -0.751 . . . . 64.23 111.983 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.625 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -69.82 -25.72 63.89 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.355 0.662 . . . . 64.44 111.325 -175.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 74' ' ' ASN . 60.7 tp -61.05 -49.83 75.79 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.192 -0.669 . . . . 74.32 109.192 171.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.02 -43.79 86.94 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 124.183 0.927 . . . . 64.42 110.472 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 32' ' ' LEU . 71.0 mt -64.11 -34.11 77.3 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.06 0.944 . . . . 61.45 111.458 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -70.53 -40.01 73.69 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.54 0.736 . . . . 72.35 111.03 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -68.29 -33.92 75.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.737 0.815 . . . . 64.24 110.654 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -76.03 -26.34 56.53 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.409 1.084 . . . . 74.12 110.58 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.14 -3.06 55.03 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.62 0.575 . . . . 75.23 113.524 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.14 90.4 1.56 Allowed 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 117.518 0.659 . . . . 54.14 110.19 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -75.28 -33.04 61.21 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.849 -1.069 . . . . 72.03 111.022 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -60.05 -47.29 86.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.056 0.542 . . . . 71.23 110.632 175.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HB3' HD13 ' A' ' 24' ' ' LEU . 75.7 mt -72.22 -34.18 68.13 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.221 -0.899 . . . . 73.34 110.881 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.2 tp -56.64 -50.75 71.12 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.791 0.837 . . . . 73.44 110.885 173.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.38 -26.76 62.92 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.579 1.152 . . . . 73.41 111.759 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.76 -42.37 95.18 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.115 0.566 . . . . 73.2 110.235 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 63.0 mm-40 -83.33 -25.69 31.24 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.201 -0.454 . . . . 71.52 110.858 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -50.04 -57.05 8.41 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.209 1.403 . . . . 61.24 111.982 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.4 m -55.82 -46.32 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.963 -1.017 . . . . 73.44 111.857 -170.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 p -73.93 -35.45 64.59 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.461 0.704 . . . . 75.44 110.565 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.3 t80 -62.51 -62.9 1.43 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.191 0.997 . . . . 72.31 111.701 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.72 -37.85 85.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.706 0.802 . . . . 71.32 110.709 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.84 -48.26 78.44 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.492 0.495 . . . . 75.45 110.318 174.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.424 ' HA ' HG22 ' A' ' 46' ' ' THR . 73.6 m -61.94 -36.32 81.03 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.661 0.601 . . . . 63.33 111.6 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.531 HG23 HD21 ' A' ' 457' ' ' LEU . 65.1 mt -64.64 -52.03 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 123.576 0.547 . . . . 74.24 110.021 175.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -58.99 -40.24 84.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.953 0.901 . . . . 75.33 111.639 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.424 HG22 ' HA ' ' A' ' 43' ' ' SER . 12.4 t -79.89 -32.01 40.27 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.002 0.371 . . . . 61.12 112.002 -172.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.8 m -71.48 -25.39 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 118.825 0.739 . . . . 75.1 109.807 170.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 mmt -81.26 -14.83 57.02 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.685 0.794 . . . . 72.41 111.783 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.51 -30.91 67.8 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 117.946 0.339 . . . . 75.15 110.538 167.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -82.31 -21.67 36.0 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.945 0.498 . . . . 74.11 110.75 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 60.64 33.15 20.38 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.272 1.029 . . . . 75.33 111.303 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.6 m 66.08 105.71 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 124.776 1.23 . . . . 62.13 110.356 -171.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 76.1 Cg_exo -48.42 142.65 16.94 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.327 2.685 . . . . 74.4 113.814 169.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 15.0 Cg_exo -70.79 -24.29 25.11 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.836 2.357 . . . . 70.13 112.625 174.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.73 58.37 4.9 Favored Glycine 0 C--N 1.35 1.316 0 O-C-N 123.431 0.457 . . . . 40.23 113.053 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.3 mm -116.9 116.11 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 107.425 -1.324 . . . . 72.04 107.425 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.1 t -79.09 175.39 10.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.909 0.483 . . . . 54.44 110.273 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -29.69 70.18 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.42 0.688 . . . . 74.3 111.315 -176.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 63' ' ' MET . 35.6 t -72.57 -47.03 51.35 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.954 0.501 . . . . 54.43 110.196 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.477 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 83.7 mt -67.86 -36.47 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.525 0.73 . . . . 62.45 110.774 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.71 -43.81 97.83 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.683 0.793 . . . . 74.11 110.012 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.49 -45.8 92.69 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 124.023 0.827 . . . . 75.33 110.851 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.477 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 31.8 mtm -55.88 -65.85 0.53 Allowed 'General case' 0 C--N 1.361 1.074 0 O-C-N 123.977 0.798 . . . . 73.41 109.316 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.0 m -67.61 -21.4 27.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 124.103 0.877 . . . . 71.43 112.753 -172.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.88 87.1 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.058 -0.719 . . . . 75.45 109.058 168.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.96 -43.22 99.22 Favored Glycine 0 CA--C 1.539 1.538 0 CA-C-N 115.204 -0.907 . . . . 70.42 113.778 170.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -60.2 -48.06 83.34 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 117.502 0.651 . . . . 75.22 110.916 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 64' ' ' VAL . 34.9 mt -68.49 -40.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 115.433 -0.803 . . . . 64.01 109.171 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -59.71 -39.17 83.77 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.877 0.471 . . . . 64.12 111.201 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.71 -55.69 31.2 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.166 0.586 . . . . 61.33 109.778 172.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -65.89 -27.62 68.34 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.234 -0.893 . . . . 72.52 111.94 -171.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' ILE . 82.4 mt -70.78 -46.7 62.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.547 0.739 . . . . 70.55 110.429 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.82 -51.74 66.44 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.47 1.106 . . . . 64.04 110.486 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.549 ' HA ' HD22 ' A' ' 22' ' ' LEU . 10.0 m120 -68.71 -42.61 77.47 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.474 -1.239 . . . . 51.2 111.526 -173.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.8 tt0 -76.44 -23.08 53.91 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.636 0.774 . . . . 54.13 111.49 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -65.74 -44.79 84.91 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.639 0.776 . . . . 45.03 109.714 169.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.09 -27.0 62.37 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.216 -0.902 . . . . 73.4 111.216 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 75' ' ' GLU . 98.3 mt -66.79 -43.12 84.77 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 109.545 -0.539 . . . . 61.31 109.545 170.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -56.91 -51.3 69.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.789 -0.641 . . . . 72.54 110.574 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.24 -55.63 20.24 Favored Glycine 0 CA--C 1.534 1.254 0 O-C-N 123.372 0.42 . . . . 24.1 113.38 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.73 -53.75 46.24 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.956 0.902 . . . . 64.51 111.085 -173.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.79 -28.74 67.85 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 118.695 -0.669 . . . . 71.54 111.092 -177.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.86 -42.65 99.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 118.724 0.693 . . . . 55.13 110.433 173.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.99 -47.44 85.81 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.898 0.749 . . . . 54.43 110.349 175.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 8.1 mmp_? -59.03 -49.44 77.87 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.18 0.592 . . . . 74.51 111.199 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 443' ' ' LEU . 96.0 mt -66.85 -33.61 75.97 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.444 1.098 . . . . 64.33 112.115 -177.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.62 -46.37 88.59 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.963 0.789 . . . . 74.45 109.47 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 43.9 mt-10 -70.54 -41.25 72.75 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.732 -1.122 . . . . 72.03 111.008 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.02 -38.73 92.38 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.358 0.663 . . . . 71.45 110.389 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.1 t -66.97 -35.79 80.75 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.351 0.66 . . . . 63.5 110.281 175.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t -68.9 -31.91 71.16 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.155 0.582 . . . . 73.32 110.526 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 53.8 mt -70.52 -50.07 41.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.098 0.559 . . . . 63.15 109.932 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.5 mt -62.45 -34.87 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 124.416 1.086 . . . . 63.03 110.522 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.22 -18.17 66.85 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 115.875 -0.602 . . . . 70.33 113.568 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -101.03 -53.57 3.01 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.51 0.724 . . . . 73.03 110.495 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 433' ' ' VAL . 23.8 m -73.1 -31.95 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.229 0.612 . . . . 75.32 112.058 -170.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 tt . . . . . 0 N--CA 1.472 0.666 0 N-CA-C 107.651 -1.241 . . . . 72.22 107.651 178.052 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 110.446 -0.205 . . . . 70.51 110.446 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.77 -43.0 94.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.242 0.617 . . . . 72.55 111.322 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 40.3 mt-10 -62.51 -56.44 18.01 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.252 0.97 . . . . 74.35 110.729 -176.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 10.1 t -61.94 -43.96 97.75 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.812 0.695 . . . . 70.33 111.217 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . 0.441 HG22 HG23 ' A' ' 96' ' ' VAL . 43.0 t -59.06 -43.4 89.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 122.849 0.46 . . . . 74.41 109.872 176.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.37 -30.66 71.7 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.248 0.619 . . . . 63.5 111.886 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 15.3 mmt180 -69.96 -51.95 28.41 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.579 0.352 . . . . 75.03 110.051 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -73.75 -25.31 60.1 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 116.138 -0.483 . . . . 72.43 111.597 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -74.9 -39.42 61.46 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.842 0.857 . . . . 60.53 110.16 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.52 -53.24 51.12 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 123.517 0.51 . . . . 70.34 109.67 175.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -54.13 -41.84 68.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.762 0.825 . . . . 74.45 111.803 177.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -60.22 -62.84 1.57 Allowed 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.167 -0.924 . . . . 74.01 109.956 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 91.4 m -62.02 -33.67 74.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.903 0.881 . . . . 72.32 112.882 -172.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.82 -51.7 31.39 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.876 0.87 . . . . 64.32 111.178 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.408 ' HB2' HD21 ' A' ' 86' ' ' LEU . 8.4 mp -74.3 -18.9 60.65 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 116.564 -0.289 . . . . 70.11 110.515 177.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -76.03 -46.82 27.41 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.22 1.008 . . . . 53.54 110.783 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.2 t -67.67 -33.24 74.54 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 109.666 -0.494 . . . . 65.5 109.666 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.588 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.5 ttt -60.61 -45.12 95.2 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.929 0.768 . . . . 72.12 109.495 171.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.508 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 2.5 ttm -65.14 -47.53 76.76 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.192 0.932 . . . . 72.31 112.361 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 25.0 p -63.33 -42.1 98.93 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 123.126 0.57 . . . . 51.21 110.88 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.62 -43.68 72.21 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 115.509 -0.769 . . . . 73.35 111.104 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.588 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.3 pp -71.52 -22.95 61.71 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 123.036 0.21 . . . . 73.41 110.579 -175.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -70.81 -49.81 42.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.597 0.759 . . . . 74.43 109.035 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -58.21 -47.46 83.41 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 114.911 -1.041 . . . . 73.33 110.903 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 56.2 p -65.07 -60.34 3.14 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 118.252 -0.88 . . . . 71.25 110.026 -176.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.9 p -50.94 -36.09 36.77 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 123.666 0.786 . . . . 71.4 112.542 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.1 t -57.35 -63.7 1.14 Allowed 'General case' 0 CA--C 1.553 1.071 0 O-C-N 124.004 0.815 . . . . 62.12 111.032 173.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -73.05 -20.39 60.99 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 112.744 0.646 . . . . 71.2 112.744 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 44' ' ' ILE . 54.5 mt -73.79 -39.55 64.05 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.971 0.908 . . . . 41.55 110.178 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.0 t -75.8 -33.2 60.11 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 110.175 -0.306 . . . . 74.42 110.175 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -68.61 -37.91 80.16 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.963 -0.562 . . . . 72.34 110.315 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -71.14 -37.83 72.25 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.979 0.512 . . . . 71.15 110.827 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . 0.41 ' HB2' HG21 ' A' ' 68' ' ' ILE . 20.0 t80 -63.27 -53.87 46.17 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.105 0.562 . . . . 74.32 109.99 177.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 85.5 m -59.43 -43.61 93.06 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 124.323 1.014 . . . . 62.51 110.528 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.89 -52.1 61.5 Favored 'General case' 0 C--O 1.245 0.819 0 O-C-N 123.483 0.489 . . . . 53.21 111.284 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 48.3 ttm -61.42 -30.81 70.8 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.123 0.969 . . . . 72.04 111.179 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -88.64 -77.32 0.37 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 108.825 -0.806 . . . . 74.33 108.825 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.21 77.98 1.68 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 123.683 0.793 . . . . 61.53 111.385 175.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.487 1.416 0 O-C-N 121.781 -0.575 . . . . 60.35 110.814 171.371 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.7 p . . . . . 0 N--CA 1.482 1.175 0 N-CA-C 112.561 0.578 . . . . 71.15 112.561 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m -61.68 -41.7 97.93 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.705 0.628 . . . . 61.35 111.449 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.452 HG23 HD13 ' A' ' 56' ' ' ILE . 58.7 m -70.44 -42.21 71.86 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.587 -0.733 . . . . 65.4 111.297 -177.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.444 ' HA ' HD12 ' A' ' 8' ' ' ILE . 9.9 p -75.58 -35.24 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 117.506 0.139 . . . . 73.34 111.251 -174.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.29 -34.0 74.05 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.906 -0.405 . . . . 72.04 109.906 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.25 -44.35 92.39 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.19 0.996 . . . . 74.53 110.434 172.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 4' ' ' THR . 95.2 mt -59.95 -57.25 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 124.66 1.184 . . . . 53.21 111.409 177.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 59.6 m-80 -59.73 -41.58 91.22 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.54 0.736 . . . . 63.5 111.484 -176.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.633 HH22 ' HD2' ' A' ' 50' ' ' LYS . 22.4 mtm180 -71.73 -31.35 66.61 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 118.956 -0.545 . . . . 73.42 111.695 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.465 ' HH2' HD22 ' A' ' 457' ' ' LEU . 22.0 m95 -66.75 -38.02 85.8 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.288 0.494 . . . . 74.42 111.243 173.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -56.85 -44.7 82.42 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.504 0.502 . . . . 70.05 110.22 170.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.2 mmt180 -58.65 -53.26 60.32 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.683 0.614 . . . . 74.32 110.076 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.6 mt -56.21 -43.55 76.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 124.617 1.167 . . . . 75.22 111.643 -174.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.53 70.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.258 0.623 . . . . 65.32 112.105 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.69 -35.3 77.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.054 -0.521 . . . . 65.04 110.506 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 78.6 mt -65.79 -55.33 17.77 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.645 0.778 . . . . 75.52 110.301 176.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.1 p -53.73 -44.26 69.75 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.311 1.007 . . . . 72.31 111.265 -176.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.59 -47.74 80.23 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 124.384 1.053 . . . . 64.02 111.407 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -65.8 -51.78 56.21 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.096 0.558 . . . . 75.25 112.172 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.578 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -69.81 -24.3 63.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.768 0.427 . . . . 70.44 111.396 -177.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.424 HD21 HD12 ' A' ' 77' ' ' LEU . 61.6 tp -61.43 -47.86 83.8 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.965 0.506 . . . . 43.35 110.005 170.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.88 -45.58 89.88 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.231 -0.895 . . . . 62.4 110.148 175.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 32' ' ' LEU . 60.7 mt -63.12 -33.31 75.19 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.606 0.762 . . . . 64.35 111.947 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -67.26 -47.83 69.54 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.79 0.836 . . . . 62.31 110.899 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.06 -17.57 58.65 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.416 -0.356 . . . . 61.3 111.668 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -79.98 -24.69 40.74 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.348 0.659 . . . . 71.01 110.181 171.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.88 -1.63 51.94 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 119.556 -0.58 . . . . 74.41 114.303 173.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -81.14 90.51 6.05 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 117.513 0.656 . . . . 61.35 109.867 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 26.6 m95 -69.21 -34.55 75.03 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 114.563 -1.199 . . . . 42.32 109.985 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.6 -48.02 69.64 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.043 0.537 . . . . 63.33 110.92 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.554 ' HB3' HD13 ' A' ' 24' ' ' LEU . 83.6 mt -75.3 -35.86 61.22 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.342 -0.845 . . . . 51.34 111.339 -178.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 21' ' ' LEU . 50.0 tp -57.8 -49.08 77.81 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.929 0.892 . . . . 61.11 110.961 174.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.535 HD21 HD12 ' A' ' 443' ' ' LEU . 47.0 mt -79.64 -24.34 41.95 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.332 1.053 . . . . 74.32 110.829 -174.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -63.36 -39.87 95.71 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.656 0.783 . . . . 73.41 109.549 172.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 80.1 mm-40 -84.23 -24.56 29.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.054 -0.976 . . . . 74.42 111.221 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -50.42 -53.1 31.96 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.145 0.978 . . . . 74.04 111.782 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.88 -46.63 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 O-C-N 124.328 1.018 . . . . 62.23 111.334 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 m -67.41 -40.5 85.58 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.855 0.862 . . . . 64.42 110.926 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.451 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 29.8 t80 -67.62 -61.5 1.86 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.995 1.318 . . . . 63.23 111.539 -173.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.14 -35.42 80.72 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.086 0.866 . . . . 53.53 111.172 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -61.13 -44.03 97.97 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.309 0.244 . . . . 75.05 111.074 174.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 46' ' ' THR . 72.8 m -63.97 -36.66 84.68 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.456 0.473 . . . . 55.4 111.589 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.557 HG23 HD21 ' A' ' 457' ' ' LEU . 75.1 mt -66.02 -50.34 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 121.686 0.755 . . . . 72.52 110.401 175.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.15 -26.96 67.67 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.325 -0.852 . . . . 71.23 111.81 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 43' ' ' SER . 6.2 t -86.88 -28.53 22.78 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.602 0.593 . . . . 64.14 112.602 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.02 -23.99 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 118.72 0.691 . . . . 70.34 109.991 170.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.408 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 22.8 mmt -87.15 -23.4 24.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.489 0.715 . . . . 62.3 111.993 172.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 34.7 tt0 -68.37 -31.99 71.75 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.424 0.69 . . . . 71.02 109.273 167.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.633 ' HD2' HH22 ' A' ' 10' ' ' ARG . 0.1 OUTLIER -68.36 -15.28 63.5 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.548 -1.205 . . . . 74.23 110.815 175.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 72.52 2.61 4.41 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.542 1.537 . . . . 74.44 111.194 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.404 HG21 ' NE2' ' A' ' 460' ' ' GLN . 90.8 m 62.21 109.57 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 124.474 1.109 . . . . 73.13 110.68 -169.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.529 ' O ' HG12 ' A' ' 56' ' ' ILE . 32.3 Cg_exo -59.2 128.22 26.85 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.307 2.005 . . . . 63.03 111.489 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -63.7 -14.11 40.87 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.472 2.115 . . . . 71.21 112.986 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.32 50.99 4.16 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.109 -0.496 . . . . 75.33 113.091 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 53' ' ' PRO . 47.0 mm -96.65 99.31 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 108.392 -0.966 . . . . 72.4 108.392 171.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 t -77.18 168.59 19.8 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.065 0.546 . . . . 75.35 110.441 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -29.92 69.63 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 115.281 1.586 . . . . 73.44 115.281 -158.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -74.9 -38.55 61.81 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 118.841 0.746 . . . . 65.42 110.068 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.439 HG23 HG12 ' A' ' 8' ' ' ILE . 68.6 mt -62.37 -45.19 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 115.475 -0.784 . . . . 60.32 109.367 173.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.1 -42.41 85.62 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.882 1.273 . . . . 75.1 110.908 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.77 -46.97 87.3 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.795 0.838 . . . . 64.22 110.759 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 52.5 mtm -64.27 -61.82 2.0 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.801 -0.636 . . . . 71.0 110.975 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 68' ' ' ILE . 32.3 m -61.58 -40.6 87.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 118.594 -0.717 . . . . 60.22 111.862 -173.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.3 -34.39 78.01 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.173 0.442 . . . . 74.01 110.775 177.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.66 99.62 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.537 0.523 . . . . 52.11 112.355 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -70.56 -33.79 71.5 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.255 0.622 . . . . 65.0 111.601 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 64' ' ' VAL . 45.8 mt -69.05 -43.38 81.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 N-CA-C 108.572 -0.899 . . . . 64.32 108.572 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -59.3 -41.96 90.2 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.456 0.703 . . . . 74.32 110.608 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -62.06 -54.17 45.12 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 123.659 0.599 . . . . 64.21 110.588 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.6 t -64.77 -36.72 85.23 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 123.784 0.678 . . . . 51.13 110.824 -173.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.98 -45.54 93.18 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.66 0.784 . . . . 72.21 110.884 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.2 -52.58 63.23 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 124.193 0.933 . . . . 74.24 110.89 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -67.05 -38.37 85.71 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.141 -0.936 . . . . 65.44 111.606 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.7 tt0 -76.3 -25.21 54.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.38 1.072 . . . . 74.42 111.257 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -68.37 -41.4 80.68 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.317 0.647 . . . . 75.11 109.788 169.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.424 HD12 HD21 ' A' ' 22' ' ' LEU . 81.0 mt -67.63 -33.85 75.8 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.499 -0.773 . . . . 74.51 110.71 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.1 mt -64.03 -45.18 90.04 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.007 0.523 . . . . 73.22 110.285 173.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -50.6 -54.37 23.29 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.328 1.051 . . . . 74.03 110.944 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.89 -45.93 61.97 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 116.137 -0.483 . . . . 43.1 113.939 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tt -60.19 -56.31 23.12 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.198 0.999 . . . . 72.34 110.159 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.32 -32.07 73.52 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 124.142 0.902 . . . . 52.53 110.984 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.07 -46.84 82.17 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 118.209 0.459 . . . . 74.41 111.369 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.23 -45.76 93.2 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.236 -0.893 . . . . 60.43 110.486 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.445 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 8.2 mmp_? -58.78 -51.34 70.41 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.015 0.822 . . . . 75.15 111.07 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 443' ' ' LEU . 96.0 mt -65.13 -30.29 71.21 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.389 1.076 . . . . 74.32 112.241 -175.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.28 -45.21 77.29 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.683 0.614 . . . . 64.43 109.556 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.07 -44.4 84.58 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.162 -0.926 . . . . 72.22 111.237 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 97.2 mt -61.43 -50.68 71.85 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.735 0.814 . . . . 71.43 110.192 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.9 t -63.04 -34.9 78.57 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.94 0.775 . . . . 72.23 111.233 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 23.0 t -61.63 -45.45 94.03 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.062 0.545 . . . . 74.14 109.771 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.21 -41.06 81.9 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.679 0.791 . . . . 75.31 111.53 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 89' ' ' LEU . 82.1 mt -61.5 -41.62 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.93 0.892 . . . . 72.43 110.038 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.03 -24.49 71.73 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.606 -0.725 . . . . 23.1 113.183 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 91' ' ' SER . 13.4 mm100 -84.56 -51.23 7.03 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.245 0.618 . . . . 54.41 111.163 178.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.88 -47.18 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 122.493 0.317 . . . . 75.35 111.612 -174.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.524 ' HA ' HD11 ' A' ' 429' ' ' ILE . 4.4 tt . . . . . 0 N--CA 1.473 0.712 0 N-CA-C 108.574 -0.898 . . . . 73.11 108.574 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER . . . . . 0 CA--C 1.545 0.769 0 CA-C-O 120.335 0.112 . . . . 61.25 110.731 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.49 -41.53 90.07 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.827 0.851 . . . . 72.12 111.689 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 39.1 mt-10 -67.91 -48.59 65.55 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.505 0.722 . . . . 74.32 110.723 -177.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 14.8 t -66.26 -35.74 81.18 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.259 0.35 . . . . 72.55 111.138 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 429' ' ' ILE . 38.9 t -57.7 -54.25 33.95 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 N-CA-C 108.946 -0.761 . . . . 61.13 108.946 171.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -53.16 -35.44 59.79 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.308 1.005 . . . . 65.04 111.947 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 26.4 mmt180 -66.88 -63.47 1.06 Allowed 'General case' 0 C--N 1.356 0.859 0 C-N-CA 122.73 0.412 . . . . 75.41 110.494 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -68.69 -25.13 64.63 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.439 0.533 . . . . 72.25 112.439 -174.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -81.36 -39.47 25.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.101 0.96 . . . . 71.42 110.365 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.76 74.18 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 109.08 -0.711 . . . . 72.31 109.08 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 26.3 mm-40 -59.23 -36.87 76.2 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.165 0.586 . . . . 52.41 111.127 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -63.75 -63.14 1.25 Allowed 'General case' 0 C--N 1.35 0.588 0 CA-C-N 116.199 -0.455 . . . . 74.11 109.943 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 38.3 m -60.36 -35.72 76.34 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.964 0.906 . . . . 71.12 112.671 -173.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -70.85 -50.85 30.87 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.405 0.682 . . . . 71.32 111.513 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.535 HD12 HD21 ' A' ' 34' ' ' LEU . 9.5 mp -70.22 -21.27 63.03 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.63 0.372 . . . . 64.23 110.998 176.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.39 -43.62 18.72 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.962 0.905 . . . . 71.43 110.811 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.5 t -71.94 -31.14 66.03 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.476 -0.565 . . . . 71.13 109.476 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.618 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.8 ttt -61.77 -45.31 94.46 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.834 0.709 . . . . 54.11 109.102 170.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.544 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 38.1 ttm -61.47 -50.49 72.52 Favored 'General case' 0 C--N 1.36 1.034 0 O-C-N 124.207 0.942 . . . . 61.54 112.751 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 36.2 p -62.08 -42.21 98.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.022 0.529 . . . . 75.1 110.765 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -70.35 -40.54 74.01 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.416 -0.811 . . . . 61.12 111.049 176.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.618 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.3 pp -74.64 -23.22 58.65 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 118.264 0.484 . . . . 63.04 110.868 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -75.75 -41.77 52.29 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.87 0.868 . . . . 72.24 109.034 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -63.62 -44.18 94.66 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 114.937 -1.029 . . . . 65.35 110.363 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . 0.458 ' HB ' HG21 ' A' ' 44' ' ' ILE . 41.3 p -67.15 -57.94 5.81 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 118.23 -0.891 . . . . 73.22 109.626 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.8 p -53.24 -31.26 42.52 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.528 0.731 . . . . 73.34 112.331 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.7 t -59.7 -66.14 0.56 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.079 0.552 . . . . 71.21 111.047 172.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 2.0 p90 -71.37 -20.72 62.12 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.383 0.512 . . . . 73.14 112.383 -175.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 44' ' ' ILE . 56.8 mt -72.08 -43.62 64.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.367 0.667 . . . . 74.44 110.54 177.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.4 t -73.11 -33.18 65.4 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 117.641 0.201 . . . . 72.41 111.021 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -66.06 -49.04 69.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.264 0.626 . . . . 73.34 110.434 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . 0.404 ' NE2' HG21 ' A' ' 52' ' ' THR . 13.3 tm0? -71.16 -28.27 64.14 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.434 -0.803 . . . . 74.43 109.819 -178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . 0.508 ' HB2' HG21 ' A' ' 68' ' ' ILE . 55.8 t80 -63.61 -43.05 98.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.479 0.712 . . . . 74.21 109.86 173.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 29.6 m -61.48 -37.41 83.53 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.663 0.602 . . . . 70.11 110.79 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -68.95 -53.93 18.1 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.026 0.38 . . . . 51.5 112.026 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.477 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.0 ttm -65.39 -34.55 78.58 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.638 0.775 . . . . 64.34 111.335 -172.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -80.91 -59.47 2.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.628 0.771 . . . . 73.44 109.283 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 77.56 1.59 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.001 0.52 . . . . 63.43 111.855 176.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.485 1.32 0 C-N-CA 123.686 0.794 . . . . 73.14 112.486 166.863 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.7 p . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 112.257 0.466 . . . . 70.32 112.257 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -60.03 -33.61 72.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.055 0.942 . . . . 61.32 112.296 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.406 HG23 HD13 ' A' ' 56' ' ' ILE . 33.8 m -74.78 -41.61 59.71 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.574 0.749 . . . . 73.44 111.881 -176.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -74.46 -38.44 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 122.326 0.251 . . . . 60.34 110.677 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.6 -37.2 84.38 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 110.083 -0.34 . . . . 74.2 110.083 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.435 ' CE2' HG11 ' A' ' 64' ' ' VAL . 76.0 t80 -53.98 -52.62 60.14 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.141 0.977 . . . . 73.14 110.976 173.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.463 HG12 HG23 ' A' ' 60' ' ' ILE . 87.6 mt -55.81 -58.96 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 123.928 0.891 . . . . 73.31 111.585 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.58 -42.24 99.44 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 114.665 -1.152 . . . . 72.04 112.28 -170.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 14' ' ' ILE . 67.0 mtm180 -77.04 -32.24 56.8 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 118.621 -0.704 . . . . 74.31 110.836 -176.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.512 ' HH2' HD22 ' A' ' 457' ' ' LEU . 21.8 m95 -64.86 -39.89 94.26 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.465 0.575 . . . . 72.4 110.591 173.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 58.9 tt0 -53.58 -48.67 68.98 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.941 0.775 . . . . 72.3 109.342 171.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -63.66 -40.65 97.36 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.911 -0.586 . . . . 71.33 112.172 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.4 mt -61.36 -41.08 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.154 0.582 . . . . 61.42 110.344 -176.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -71.83 -41.88 67.64 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.139 0.575 . . . . 64.43 112.084 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 95.0 mt -64.79 -42.13 95.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.046 0.538 . . . . 64.4 110.812 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.7 mt -69.42 -47.9 62.67 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.87 0.868 . . . . 75.21 109.964 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 75.5 p -55.99 -42.86 77.0 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.838 0.711 . . . . 70.11 111.167 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -58.65 -53.57 56.87 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.256 -0.883 . . . . 71.11 111.114 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 68.3 m -60.25 -51.17 70.69 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.336 0.655 . . . . 75.22 112.173 -174.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.666 ' HB2' HD12 ' A' ' 33' ' ' LEU . 3.9 pp -71.87 -26.5 62.37 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 122.664 0.386 . . . . 65.33 111.782 -176.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.87 -43.35 99.04 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.279 0.362 . . . . 73.03 110.103 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.75 -45.07 90.54 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 115.383 -0.826 . . . . 64.35 109.812 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 32' ' ' LEU . 63.8 mt -66.92 -29.8 69.77 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.67 0.788 . . . . 73.13 112.006 -178.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -73.67 -43.76 58.52 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.583 0.753 . . . . 71.14 111.039 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -79.99 -14.92 58.2 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.029 -0.532 . . . . 64.45 111.031 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -78.4 -25.27 46.09 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.503 0.721 . . . . 75.32 109.694 167.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.42 -5.8 62.88 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.834 -0.621 . . . . 40.22 113.384 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.95 88.05 2.92 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 109.54 -0.541 . . . . 74.14 109.54 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.465 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 22.3 m95 -64.68 -37.8 88.82 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 115.07 -0.968 . . . . 71.23 109.931 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -55.25 -44.35 75.47 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.377 1.071 . . . . 64.35 111.868 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 24' ' ' LEU . 84.1 mt -72.19 -39.56 68.53 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.782 -0.645 . . . . 74.21 110.74 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 21' ' ' LEU . 38.0 tp -56.75 -46.01 81.66 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.319 1.048 . . . . 75.53 111.478 174.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.556 HD21 HD12 ' A' ' 443' ' ' LEU . 55.6 mt -77.19 -24.22 51.4 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.511 1.124 . . . . 63.24 110.901 -175.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.91 -37.82 82.16 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.896 -0.593 . . . . 72.21 110.085 172.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -82.86 -21.58 34.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.204 0.602 . . . . 74.43 111.379 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' HG3' ' HG3' ' A' ' 446' ' ' MET . 30.3 tt0 -50.89 -52.89 37.46 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.371 1.068 . . . . 71.15 111.402 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.7 m -60.86 -45.42 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 114.791 -1.095 . . . . 75.44 111.601 -172.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 p -69.69 -41.1 75.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.306 0.642 . . . . 72.43 110.986 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 32.8 t80 -62.17 -63.66 1.17 Allowed 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.953 1.301 . . . . 73.45 111.737 -177.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.75 -40.61 93.08 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.628 -0.714 . . . . 75.4 110.721 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -53.17 -48.3 68.12 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.263 0.625 . . . . 72.11 111.113 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.472 ' HA ' HG22 ' A' ' 46' ' ' THR . 71.1 m -62.15 -36.82 83.0 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 124.048 0.842 . . . . 74.13 111.534 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.36 -51.26 73.17 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 123.276 0.36 . . . . 75.33 110.808 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.98 -31.59 72.91 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 112.605 0.595 . . . . 74.03 112.605 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.5 t -84.23 -23.78 30.31 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 118.413 0.551 . . . . 61.21 112.166 -174.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -77.59 -33.3 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 118.54 0.609 . . . . 71.24 109.916 168.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.454 ' HG3' ' HE1' ' A' ' 456' ' ' TYR . 23.6 mmt -91.35 0.07 57.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.655 0.782 . . . . 72.11 112.781 -178.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.65 -30.53 67.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.449 0.642 . . . . 60.42 109.444 167.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -104.76 -4.93 21.74 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.907 0.883 . . . . 64.53 110.954 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 54.81 36.02 25.52 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.099 1.36 . . . . 73.23 112.719 171.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m 69.93 112.6 0.03 OUTLIER Pre-proline 0 CA--C 1.559 1.322 0 C-N-CA 124.395 1.078 . . . . 63.44 110.818 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.515 ' O ' HG12 ' A' ' 56' ' ' ILE . 33.6 Cg_endo -63.34 144.78 91.97 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.353 2.036 . . . . 75.43 111.681 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.31 2.99 3.31 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 123.04 2.493 . . . . 54.44 114.945 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -104.83 28.14 16.02 Favored Glycine 0 C--N 1.345 1.05 0 CA-C-N 117.629 0.195 . . . . 51.35 113.365 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 53' ' ' PRO . 37.2 mm -81.59 106.5 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 123.044 0.538 . . . . 74.23 109.662 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 t -75.78 166.9 22.85 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.174 0.59 . . . . 74.31 110.167 177.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.558 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -67.82 -23.42 65.18 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 113.28 0.844 . . . . 74.21 113.28 -165.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.3 t -70.38 -48.57 55.6 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.496 0.318 . . . . 51.11 110.418 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.463 HG23 HG12 ' A' ' 8' ' ' ILE . 81.6 mt -64.23 -40.81 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.644 0.777 . . . . 72.23 110.009 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.32 -39.95 92.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.942 1.297 . . . . 75.22 111.114 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.23 -41.83 76.49 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.162 0.585 . . . . 73.12 110.922 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 58.6 mtm -60.14 -55.2 36.77 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.576 0.547 . . . . 72.2 110.087 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.9 m -71.42 -28.36 31.65 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 CA-C-N 115.483 -0.781 . . . . 74.31 111.549 -174.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.94 91.9 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 118.201 0.455 . . . . 63.32 110.091 172.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -58.9 -47.34 91.08 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-N 115.649 -0.705 . . . . 53.23 111.934 171.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -66.54 -36.33 82.42 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.239 0.616 . . . . 74.02 112.35 -177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 64' ' ' VAL . 68.7 mt -70.97 -42.01 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.161 -0.681 . . . . 75.14 109.161 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -42.58 97.99 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.249 0.62 . . . . 73.15 110.464 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.453 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 28.2 mt-30 -61.59 -50.43 72.62 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.028 -0.533 . . . . 75.35 110.75 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.7 t -68.54 -34.21 75.45 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 123.796 0.685 . . . . 62.22 110.672 -173.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.8 -42.46 95.01 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.292 0.637 . . . . 74.11 110.969 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.71 -48.77 70.87 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.43 0.692 . . . . 74.42 110.588 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 15.9 m120 -66.76 -40.61 88.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.276 0.631 . . . . 74.44 111.006 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.505 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.0 tt0 -74.47 -25.3 59.31 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.452 1.101 . . . . 52.44 111.159 -177.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.26 -42.51 75.5 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.47 0.708 . . . . 65.32 109.567 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.64 -33.23 75.4 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.473 -0.785 . . . . 65.25 111.529 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 75' ' ' GLU . 89.0 mt -66.57 -45.39 79.44 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.793 -0.447 . . . . 74.14 109.793 174.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.54 -50.76 67.14 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.629 0.772 . . . . 71.04 110.588 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.64 -52.3 35.39 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 116.451 -0.341 . . . . 73.0 113.645 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 6.6 tt -60.67 -57.71 11.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.124 0.969 . . . . 63.01 110.247 -175.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.35 -30.3 71.46 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-O 118.648 -0.692 . . . . 71.21 111.164 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.77 -42.33 98.85 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 118.685 0.675 . . . . 74.13 111.398 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -60.71 -45.91 92.43 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.783 -0.644 . . . . 65.31 110.265 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 1.2 mmp_? -62.68 -46.27 88.92 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.654 -0.703 . . . . 74.35 111.214 -178.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.04 -38.85 92.58 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.044 0.938 . . . . 75.52 111.128 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.06 -45.52 93.2 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.73 0.812 . . . . 75.05 110.344 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 41.1 mt-10 -65.14 -48.29 74.06 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.154 -0.93 . . . . 74.31 110.708 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.21 -36.17 77.08 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.144 0.577 . . . . 74.1 110.619 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -69.12 -34.06 74.44 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.031 0.933 . . . . 74.15 110.759 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.7 t -68.81 -37.28 79.11 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.202 0.601 . . . . 65.45 110.227 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 72.6 mt -66.29 -55.54 15.58 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.048 -0.524 . . . . 71.3 109.91 177.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.94 -42.4 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.994 1.318 . . . . 64.4 111.334 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.77 -34.12 69.93 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 116.211 -0.449 . . . . 34.34 113.552 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -86.85 -44.14 11.93 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 122.954 0.502 . . . . 61.21 111.324 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.574 HG23 HG22 ' A' ' 433' ' ' VAL . 21.6 m -90.16 -30.27 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 113.189 0.811 . . . . 74.34 113.189 -167.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.476 0.859 0 N-CA-C 108.02 -1.104 . . . . 63.45 108.02 174.741 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.477 0.885 0 CA-C-O 119.684 -0.198 . . . . 75.51 110.886 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.21 -50.32 73.24 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.316 0.646 . . . . 73.12 110.971 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 29.5 mt-10 -65.82 -54.19 30.06 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.463 1.102 . . . . 75.51 111.316 -173.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.1 t -62.84 -39.39 94.22 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 111.759 0.281 . . . . 63.01 111.759 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' VAL . . . . . 0.574 HG22 HG23 ' A' ' 96' ' ' VAL . 51.0 t -64.77 -45.88 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.777 0.431 . . . . 60.12 110.138 174.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.03 -30.33 71.42 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.641 0.776 . . . . 70.45 111.786 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 79.2 mmt-85 -69.38 -55.81 9.3 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.347 0.404 . . . . 73.54 109.969 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -66.44 -30.2 70.51 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.227 0.329 . . . . 74.34 111.679 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -74.0 -43.2 58.85 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.28 0.632 . . . . 72.02 110.444 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.61 72.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.644 0.378 . . . . 74.12 110.641 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -60.75 -40.17 91.47 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.421 0.45 . . . . 71.52 111.049 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -57.71 -59.23 5.53 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 109.463 -0.569 . . . . 70.01 109.463 174.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 86.1 m -59.72 -33.28 71.43 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.168 0.987 . . . . 52.43 112.782 -173.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -75.25 -48.53 22.92 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.678 0.791 . . . . 64.35 111.443 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' LEU . . . . . 0.556 HD12 HD21 ' A' ' 34' ' ' LEU . 9.3 mp -69.35 -21.89 63.79 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.641 0.376 . . . . 51.51 110.478 175.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.21 -42.8 20.22 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.588 1.155 . . . . 74.21 111.419 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.0 t -71.06 -35.87 72.08 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.276 -0.639 . . . . 73.21 109.276 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' MET . . . . . 0.676 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.7 ttt -58.91 -46.24 88.38 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.849 0.718 . . . . 74.14 109.49 171.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' MET . . . . . 0.471 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 19.6 ttm -61.35 -54.09 48.25 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.282 0.989 . . . . 72.44 112.662 -177.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 30.7 p -58.49 -40.17 82.02 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.932 0.493 . . . . 64.31 111.163 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' LYS . . . . . 0.449 ' HB3' ' NZ ' ' A' ' 449' ' ' LYS . 8.9 mtpm? -69.36 -45.92 68.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.456 -0.793 . . . . 62.21 111.454 177.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' LEU . . . . . 0.676 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -72.34 -19.75 61.59 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.057 0.223 . . . . 61.41 111.039 -176.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -75.67 -47.98 24.0 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.879 0.872 . . . . 64.33 109.415 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -44.05 97.96 Favored 'General case' 0 C--O 1.25 1.13 0 CA-C-N 114.67 -1.15 . . . . 74.43 109.465 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 54.6 p -64.36 -60.47 3.14 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 118.434 -0.794 . . . . 63.15 110.352 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.1 p -52.13 -30.48 26.67 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.459 0.704 . . . . 73.44 112.277 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 458' ' ' THR . 34.9 t -60.45 -65.29 0.71 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 122.968 0.507 . . . . 50.13 110.423 172.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' TYR . . . . . 0.454 ' HE1' ' HG3' ' A' ' 48' ' ' MET . 6.4 p90 -71.28 -20.63 62.19 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 112.502 0.556 . . . . 64.22 112.502 -176.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' LEU . . . . . 0.512 HD22 ' HH2' ' A' ' 11' ' ' TRP . 64.9 mt -75.54 -38.25 59.44 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.711 0.804 . . . . 73.02 110.393 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 455' ' ' SER . 2.5 t -73.91 -35.12 64.61 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 110.164 -0.31 . . . . 71.31 110.164 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -65.33 -43.88 89.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.322 0.582 . . . . 72.31 110.097 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -57.64 -43.96 85.25 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.708 -1.133 . . . . 72.35 110.673 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -63.93 -38.18 90.13 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.388 -0.824 . . . . 73.11 110.807 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 4.3 m -63.0 -47.03 84.88 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 123.314 0.384 . . . . 64.32 110.891 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.06 -52.08 21.56 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.401 0.438 . . . . 73.11 111.799 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' MET . . . . . 0.426 ' SD ' HG23 ' A' ' 64' ' ' VAL . 53.8 ttm -62.14 -35.66 79.43 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.345 0.658 . . . . 73.51 111.617 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -79.47 -59.78 2.62 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.051 -0.722 . . . . 51.43 109.051 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.76 80.79 1.99 Allowed 'General case' 0 CA--C 1.565 1.554 0 N-CA-C 113.429 0.9 . . . . 61.33 113.429 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.49 1.565 0 O-C-N 120.839 -1.163 . . . . 73.21 109.354 161.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptt? . . . . . 0 CA--C 1.551 1.004 0 CA-C-O 121.725 0.774 . . . . 75.51 110.848 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.9 p -68.19 -50.02 57.01 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 115.406 -0.815 . . . . 72.31 111.423 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.5 m -57.49 -41.89 81.63 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.602 0.761 . . . . 54.41 111.159 -178.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.464 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 24.8 m -69.36 -43.53 73.4 Favored 'General case' 0 CA--C 1.552 1.027 0 CA-C-N 114.898 -1.046 . . . . 75.54 112.193 -178.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.6 p -70.21 -42.61 79.03 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 CA-C-N 118.024 0.375 . . . . 53.53 111.593 -176.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.85 -33.95 76.74 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 122.775 0.43 . . . . 73.2 110.463 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.464 ' HB3' ' O ' ' A' ' 4' ' ' THR . 58.2 t80 -53.56 -52.1 60.82 Favored 'General case' 0 CA--C 1.557 1.222 0 C-N-CA 124.135 0.974 . . . . 74.52 110.611 169.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 4' ' ' THR . 86.1 mt -57.47 -57.01 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.32 0 C-N-CA 123.911 0.884 . . . . 75.04 111.598 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.419 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 65.0 m-80 -59.02 -41.94 88.98 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.355 0.662 . . . . 75.21 112.686 -174.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.427 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.8 mtm180 -74.07 -39.37 63.51 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 118.886 -0.578 . . . . 61.52 111.833 -175.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.423 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 77.4 m95 -65.22 -34.55 78.63 Favored 'General case' 0 N--CA 1.495 1.781 0 CA-C-N 118.415 0.552 . . . . 74.42 111.155 173.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -57.94 -46.61 84.78 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 123.909 0.756 . . . . 75.31 109.61 172.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.419 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 83.7 mmt-85 -58.59 -51.12 71.26 Favored 'General case' 0 C--O 1.212 -0.911 0 O-C-N 123.771 0.669 . . . . 64.22 110.558 176.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.4 mt -54.26 -45.46 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 C-N-CA 124.325 1.05 . . . . 44.25 112.013 -174.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.58 -41.79 65.3 Favored 'General case' 0 N--CA 1.48 1.067 0 N-CA-C 112.625 0.602 . . . . 54.02 112.625 -178.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.88 -39.99 91.2 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.836 0.454 . . . . 74.31 111.123 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.478 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.7 mt -67.41 -53.71 26.81 Favored 'General case' 0 C--O 1.214 -0.807 0 C-N-CA 123.927 0.891 . . . . 71.12 109.661 -178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 47.0 p -54.7 -45.35 73.96 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.173 0.921 . . . . 73.13 111.809 -178.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -58.19 -51.67 68.76 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 124.149 0.906 . . . . 60.2 111.722 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 67.2 m -73.38 -38.79 65.54 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.993 0.738 . . . . 51.31 112.993 -173.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.514 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -74.67 -19.92 60.08 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.1 0.409 . . . . 63.31 110.71 177.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 61.6 tp -69.01 -41.75 77.36 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 110.035 -0.357 . . . . 71.32 110.035 169.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.87 -39.73 74.86 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 123.846 0.716 . . . . 64.41 109.725 172.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 21' ' ' LEU . 66.7 mt -72.65 -37.53 67.93 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.098 -0.955 . . . . 64.33 111.839 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.43 -44.95 85.75 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 123.432 0.693 . . . . 23.44 111.174 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -73.3 -28.7 62.24 Favored 'General case' 0 N--CA 1.476 0.859 0 CA-C-N 116.196 -0.457 . . . . 74.13 110.873 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.591 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 4.1 mmm180 -73.15 -19.52 61.11 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.48 0.712 . . . . 71.42 111.723 173.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 83.89 7.88 85.02 Favored Glycine 0 C--N 1.347 1.142 0 O-C-N 123.452 0.47 . . . . 42.32 112.789 -176.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.591 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 55.5 mm-40 -71.07 85.88 0.73 Allowed 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 123.442 0.697 . . . . 60.01 109.897 176.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.421 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 17.7 m95 -75.44 -39.47 58.8 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.623 0.369 . . . . 75.22 110.714 -176.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.64 -51.31 67.65 Favored 'General case' 0 N--CA 1.486 1.33 0 C-N-CA 123.947 0.899 . . . . 74.53 109.974 178.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.433 ' O ' ' HG2' ' A' ' 36' ' ' GLN . 88.7 mt -69.64 -39.72 76.95 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 114.109 -1.405 . . . . 71.13 111.124 -178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.514 HD12 ' HB2' ' A' ' 21' ' ' LEU . 63.8 tp -55.88 -45.56 78.55 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.952 0.901 . . . . 72.42 111.31 176.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.622 HD21 HD12 ' A' ' 443' ' ' LEU . 84.1 mt -77.82 -25.84 49.13 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.275 -0.875 . . . . 54.12 111.719 -175.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -66.33 -37.57 85.67 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 121.08 0.467 . . . . 74.54 110.043 172.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 79.5 mm-40 -80.27 -28.54 38.35 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.475 -0.784 . . . . 64.42 111.346 179.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -50.48 -57.15 8.73 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.877 1.271 . . . . 75.31 111.707 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 m -56.62 -47.41 82.25 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 O-C-N 124.136 0.898 . . . . 62.12 111.86 -175.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 34.6 p -68.71 -37.85 79.81 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.138 0.575 . . . . 51.14 111.367 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 27.5 t80 -68.31 -59.06 3.47 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.114 0.965 . . . . 72.23 111.455 -175.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.42 -41.29 93.66 Favored 'General case' 0 CA--C 1.535 0.378 0 O-C-N 124.15 0.906 . . . . 65.21 110.26 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -63.79 -34.45 77.93 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.589 0.556 . . . . 63.22 112.028 178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.5 m -65.69 -42.39 91.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 122.665 0.386 . . . . 74.03 110.891 176.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.566 HG23 HD21 ' A' ' 457' ' ' LEU . 59.0 mt -64.58 -43.98 96.78 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.018 0 CA-C-O 121.736 0.779 . . . . 73.02 110.431 176.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -60.87 -48.38 82.05 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.867 -1.06 . . . . 60.14 110.439 178.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.8 t -71.95 -27.93 63.12 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 118.932 -0.556 . . . . 70.03 112.007 -173.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -75.54 -31.27 23.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 CA-C-N 118.769 0.713 . . . . 72.43 111.386 175.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 24.5 mmt -88.08 -22.47 24.14 Favored 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 112.834 0.679 . . . . 65.44 112.834 -178.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 -83.72 -28.68 28.08 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 122.944 0.498 . . . . 74.3 110.266 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.415 ' HG3' HH22 ' A' ' 10' ' ' ARG . 7.9 tmtm? -72.75 -38.85 67.24 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.293 -1.003 . . . . 73.51 108.293 169.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 72.97 133.21 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 126.188 1.795 . . . . 74.21 111.292 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.424 HG23 ' CE1' ' A' ' 7' ' ' PHE . 98.8 m -52.54 112.84 3.76 Favored Pre-proline 0 CA--C 1.555 1.146 0 C-N-CA 124.743 1.217 . . . . 63.2 111.365 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HG2' HD11 ' A' ' 56' ' ' ILE . 30.8 Cg_endo -63.86 146.64 91.91 Favored 'Trans proline' 0 C--N 1.38 2.234 0 C-N-CA 122.483 2.122 . . . . 63.31 111.98 178.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 27.5 Cg_exo -65.39 -17.47 57.9 Favored 'Trans proline' 0 C--N 1.372 1.793 0 C-N-CA 122.622 2.214 . . . . 72.21 113.547 176.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -89.58 62.83 3.36 Favored Glycine 0 C--N 1.347 1.172 0 CA-C-N 116.6 -0.273 . . . . 71.23 113.178 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.523 HD11 ' HG2' ' A' ' 53' ' ' PRO . 46.0 mm -117.29 114.88 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.858 0 C-N-CA 123.928 0.891 . . . . 53.42 108.782 175.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.7 t -75.74 175.49 8.63 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.368 0.267 . . . . 40.34 110.444 -179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.467 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -66.79 -32.48 73.8 Favored 'General case' 0 N--CA 1.487 1.403 0 C-N-CA 123.229 0.612 . . . . 72.14 111.224 -173.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 63' ' ' MET . 16.5 m -70.68 -47.01 62.08 Favored 'General case' 0 C--N 1.35 0.598 0 C-N-CA 123.106 0.562 . . . . 72.4 110.506 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.516 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 93.1 mt -69.03 -36.52 74.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 CA-C-N 115.289 -0.869 . . . . 72.34 110.645 -178.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -65.47 -41.1 93.72 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.535 0.734 . . . . 54.3 110.206 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -65.36 -39.71 92.65 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 123.439 0.696 . . . . 72.1 110.804 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.516 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 45.5 mtm -60.74 -56.35 22.24 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.064 0.545 . . . . 62.33 110.297 178.204 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.503 ' O ' HG13 ' A' ' 68' ' ' ILE . 25.6 m -73.15 -23.47 20.07 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.636 0 CA-C-N 115.397 -0.819 . . . . 70.34 112.201 -175.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.89 -43.23 99.35 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 109.397 -0.594 . . . . 64.24 109.397 171.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.63 -43.11 99.72 Favored Glycine 0 C--N 1.352 1.429 0 CA-C-N 115.221 -0.899 . . . . 35.5 112.264 172.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.0 -42.93 97.02 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 112.619 0.6 . . . . 74.41 112.619 -178.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.503 HG13 ' O ' ' A' ' 64' ' ' VAL . 64.2 mt -68.8 -41.69 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.661 0 N-CA-C 109.363 -0.606 . . . . 72.31 109.363 178.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.7 -45.54 89.31 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.475 0.71 . . . . 72.05 110.894 178.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -58.44 -52.93 63.55 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.113 0.565 . . . . 74.51 110.094 176.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.6 -27.37 66.85 Favored 'General case' 0 C--O 1.211 -0.925 0 CA-C-N 115.226 -0.897 . . . . 51.11 111.429 -172.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.1 mt -69.74 -44.87 69.36 Favored 'General case' 0 N--CA 1.485 1.305 0 C-N-CA 123.281 0.632 . . . . 74.34 111.05 176.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -61.1 -55.03 37.3 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.183 0.927 . . . . 74.34 110.224 178.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -61.27 -42.26 98.33 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.124 -0.944 . . . . 33.24 111.846 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.524 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.7 tt0 -75.9 -24.69 55.64 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.776 0.831 . . . . 74.24 111.898 -176.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -72.89 -36.56 67.34 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.15 0.5 . . . . 53.32 110.086 171.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.75 -32.48 71.04 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.651 -0.704 . . . . 72.11 110.156 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.524 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.4 mt -64.7 -44.26 90.83 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.105 0.562 . . . . 73.14 110.174 171.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -54.49 -56.75 15.56 Favored 'General case' 0 CA--C 1.545 0.755 0 O-C-N 124.204 0.94 . . . . 74.31 110.478 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.88 -46.6 93.26 Favored Glycine 0 CA--C 1.536 1.4 0 O-C-N 123.518 0.511 . . . . 72.14 113.983 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -62.08 -52.56 63.41 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.938 0.895 . . . . 70.41 110.548 -176.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.444 HD22 HD23 ' A' ' 443' ' ' LEU . 81.9 mt -70.07 -25.32 63.48 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.785 -0.643 . . . . 64.44 111.3 -177.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -62.75 -41.77 99.36 Favored 'General case' 0 N--CA 1.494 1.773 0 CA-C-N 118.452 0.569 . . . . 64.34 110.264 172.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 mt-30 -59.48 -50.43 73.97 Favored 'General case' 0 N--CA 1.479 0.982 0 O-C-N 123.925 0.765 . . . . 75.03 110.003 174.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -60.83 -51.46 69.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.633 0.773 . . . . 75.25 111.905 -176.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.21 -34.36 77.48 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.943 0.897 . . . . 54.23 111.955 -178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -66.23 -44.8 82.75 Favored 'General case' 0 N--CA 1.472 0.657 0 O-C-N 123.775 0.672 . . . . 74.14 110.488 178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.431 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 48.2 mt-10 -63.17 -51.12 67.69 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 115.616 -0.72 . . . . 60.25 110.375 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 97.9 mt -58.98 -41.9 88.69 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.722 0.809 . . . . 73.11 111.742 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.6 t -65.0 -37.61 88.22 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.0 0.92 . . . . 71.12 111.541 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 34.0 t -70.2 -30.39 67.49 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.844 -0.617 . . . . 72.04 110.53 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 92.2 mt -72.89 -41.78 64.3 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.274 0.629 . . . . 64.44 110.602 175.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.42 -36.78 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 124.238 1.015 . . . . 75.42 110.535 176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.37 -13.98 52.15 Favored Glycine 0 CA--C 1.535 1.34 0 CA-C-N 115.681 -0.69 . . . . 60.3 113.953 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -106.2 -52.5 2.79 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 124.004 0.922 . . . . 64.02 110.733 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.512 HG23 HG22 ' A' ' 433' ' ' VAL . 31.8 m -74.99 -36.89 39.97 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-N 116.053 -0.521 . . . . 73.11 111.782 -170.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.0 tt -82.34 110.84 17.86 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 108.101 -1.074 . . . . 61.4 108.101 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.581 ' HB2' ' HG2' ' A' ' 107' ' ' PRO . 60.6 m-85 -86.71 97.68 10.72 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 108.571 -0.9 . . . . 63.12 108.571 175.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -88.26 13.31 11.78 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.199 -0.91 . . . . 62.0 110.922 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 145.12 -78.53 0.25 Allowed Glycine 0 C--N 1.343 0.93 0 N-CA-C 110.501 -1.04 . . . . 42.24 110.501 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -58.29 167.58 4.6 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 123.291 2.661 . . . . 54.42 113.387 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 11.6 m 67.47 10.99 8.15 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.91 1.284 . . . . 70.53 111.809 -174.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.93 140.25 29.59 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.914 0.885 . . . . 62.22 110.308 -172.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.98 -41.75 86.89 Favored Glycine 0 C--N 1.353 1.473 0 O-C-N 123.445 0.466 . . . . 53.04 112.431 178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.7 pp -109.2 164.93 12.0 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.78 0.832 . . . . 51.51 109.022 172.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 38.8 t -88.06 110.38 35.16 Favored Pre-proline 0 CA--C 1.546 0.817 0 N-CA-C 108.568 -0.901 . . . . 42.05 108.568 173.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.581 ' HG2' ' HB2' ' A' ' 98' ' ' PHE . 15.9 Cg_exo -70.24 82.73 0.83 Allowed 'Trans proline' 0 C--N 1.376 2.026 0 C-N-CA 122.881 2.388 . . . . 74.45 110.999 174.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -82.56 -15.63 51.55 Favored 'General case' 0 CA--C 1.547 0.862 0 CA-C-N 115.251 -0.886 . . . . 75.43 111.519 -175.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.41 68.76 2.07 Favored Glycine 0 C--N 1.349 1.29 0 N-CA-C 112.222 -0.351 . . . . 53.43 112.222 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 21.9 m -68.47 122.88 19.36 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 123.519 0.728 . . . . 72.01 109.891 -178.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.42 18.07 63.05 Favored Glycine 0 C--N 1.34 0.754 0 O-C-N 123.612 0.57 . . . . 61.35 112.606 -173.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -174.31 41.12 0.13 Allowed Glycine 0 C--N 1.349 1.267 0 CA-C-O 119.928 -0.374 . . . . 73.0 112.254 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.453 HG21 HD12 ' A' ' 429' ' ' ILE . 4.6 mp -72.62 134.83 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.961 0 N-CA-C 109.07 -0.715 . . . . 61.2 109.07 178.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -67.65 116.62 8.57 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 123.17 0.588 . . . . 75.11 110.48 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 121.09 171.11 14.19 Favored Glycine 0 C--N 1.347 1.19 0 N-CA-C 111.61 -0.596 . . . . 70.41 111.61 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 21.4 t -68.69 -16.15 63.74 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 124.063 0.945 . . . . 75.04 111.704 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.453 HD12 HG21 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -48.48 -44.72 13.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 124.702 1.201 . . . . 73.25 111.113 171.657 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -60.26 -35.55 75.77 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.496 0.718 . . . . 73.44 111.626 -179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -71.65 -50.36 31.29 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 123.64 0.776 . . . . 71.45 110.601 -177.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.4 t -67.42 -36.15 80.68 Favored 'General case' 0 N--CA 1.478 0.96 0 O-C-N 123.134 0.271 . . . . 62.54 111.396 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.512 HG22 HG23 ' A' ' 96' ' ' VAL . 65.9 t -64.8 -47.36 88.84 Favored 'Isoleucine or valine' 0 C--N 1.354 0.768 0 C-N-CA 123.342 0.657 . . . . 75.11 110.201 174.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -58.86 -37.49 76.65 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.363 0.665 . . . . 72.43 111.715 -178.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.412 ' O ' ' HG2' ' A' ' 439' ' ' GLN . 30.1 mmt180 -67.58 -56.72 8.35 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.445 0.466 . . . . 72.43 110.887 178.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -64.5 -35.77 82.02 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 123.443 0.464 . . . . 74.2 112.175 -176.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 66.2 tttp -71.53 -39.44 70.72 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.411 0.684 . . . . 70.02 110.764 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.76 -52.89 47.28 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 123.302 0.376 . . . . 55.02 110.643 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.413 ' O ' HD13 ' A' ' 443' ' ' LEU . 28.1 mm-40 -60.0 -40.33 88.87 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.602 0.564 . . . . 54.22 110.641 -179.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.83 -61.48 2.58 Favored 'General case' 0 C--N 1.352 0.692 0 CA-C-N 115.741 -0.663 . . . . 74.44 110.397 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.2 m -57.16 -37.35 71.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.963 0.905 . . . . 74.42 112.511 -174.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -67.94 -50.72 54.29 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.339 0.655 . . . . 53.23 111.307 -179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.622 HD12 HD21 ' A' ' 34' ' ' LEU . 9.2 mp -72.61 -19.54 61.45 Favored 'General case' 0 CA--C 1.56 1.329 0 C-N-CA 122.754 0.422 . . . . 73.33 111.205 177.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -80.3 -47.41 14.59 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.525 1.13 . . . . 63.45 111.298 -178.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -66.8 -33.22 75.13 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.669 -0.493 . . . . 34.51 109.669 174.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.63 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -59.56 -46.69 88.17 Favored 'General case' 0 C--N 1.362 1.117 0 O-C-N 123.948 0.78 . . . . 63.51 109.913 171.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.563 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 30.8 ttm -64.35 -52.0 60.56 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.093 0.871 . . . . 72.12 112.611 -176.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 29.5 p -57.3 -42.87 82.61 Favored 'General case' 0 C--O 1.243 0.748 0 O-C-N 123.674 0.609 . . . . 74.12 111.073 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 453' ' ' THR . 59.7 mtpt -72.01 -40.16 68.67 Favored 'General case' 0 C--O 1.218 -0.586 0 CA-C-N 115.553 -0.749 . . . . 65.23 111.538 177.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.63 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.4 pp -72.82 -23.59 60.8 Favored 'General case' 0 N--CA 1.491 1.604 0 CA-C-N 118.779 0.718 . . . . 75.33 111.137 -176.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -79.86 -39.14 31.24 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 123.315 0.646 . . . . 64.1 109.274 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -64.87 -42.4 94.87 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 123.731 0.813 . . . . 62.04 110.371 173.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.429 ' HB ' HG21 ' A' ' 44' ' ' ILE . 40.0 p -65.03 -60.41 3.07 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-O 118.39 -0.814 . . . . 62.23 109.542 -178.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 60.1 p -52.42 -31.18 33.1 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.67 0.788 . . . . 70.5 112.405 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.0 t -57.82 -67.52 0.33 Allowed 'General case' 0 CA--C 1.55 0.981 0 O-C-N 123.623 0.577 . . . . 65.52 111.16 171.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . 0.432 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 2.8 p90 -70.17 -19.67 63.18 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 112.769 0.655 . . . . 75.15 112.769 -177.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.566 HD21 HG23 ' A' ' 44' ' ' ILE . 62.6 mt -71.51 -44.72 64.15 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.37 0.668 . . . . 75.13 110.537 178.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 10.0 t -72.95 -31.52 64.63 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 123.401 0.438 . . . . 75.4 111.137 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -65.07 -49.99 67.89 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 123.367 0.417 . . . . 74.55 110.327 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -63.27 -32.55 73.99 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.076 -0.966 . . . . 42.1 110.867 175.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 26.0 t80 -65.57 -50.75 64.0 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 122.792 0.437 . . . . 63.23 110.425 179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 24.1 m -62.45 -37.53 86.23 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.848 0.718 . . . . 54.23 111.377 -178.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.95 -52.51 14.28 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-N 116.297 -0.411 . . . . 71.02 111.376 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.7 ttm -61.63 -35.28 77.46 Favored 'General case' 0 N--CA 1.49 1.542 0 C-N-CA 123.72 0.808 . . . . 72.41 111.167 -177.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -76.82 -64.16 1.19 Allowed 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 108.886 -0.783 . . . . 75.2 108.886 179.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.97 78.51 1.56 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.538 0.685 . . . . 71.14 111.946 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 23.5 m . . . . . 0 CA--C 1.561 1.402 0 CA-C-O 118.644 -0.694 . . . . 55.13 110.996 162.386 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.455 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 22.5 ptt? . . . . . 0 CA--C 1.551 1.006 0 CA-C-O 120.752 0.31 . . . . 75.4 110.474 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 37.0 p -64.21 -58.87 5.31 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.753 0.821 . . . . 74.51 112.501 -174.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 m -65.8 -32.55 74.15 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.861 0.865 . . . . 54.14 111.393 -176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.455 ' HB ' ' HB2' ' A' ' 1' ' ' MET . 39.2 m -76.39 -40.36 51.14 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.889 -0.596 . . . . 55.45 111.6 -179.058 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.4 p -72.87 -37.15 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.346 0 CA-C-N 118.635 0.652 . . . . 72.33 110.801 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.75 -37.91 85.57 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 109.761 -0.459 . . . . 72.35 109.761 175.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.419 ' HB3' ' O ' ' A' ' 4' ' ' THR . 64.4 t80 -54.78 -59.03 5.27 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.203 1.001 . . . . 71.13 110.659 171.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.557 HG12 HG23 ' A' ' 60' ' ' ILE . 94.4 mt -55.07 -58.98 2.79 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.431 0 C-N-CA 124.496 1.118 . . . . 65.23 111.644 -178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.458 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -60.53 -49.41 77.66 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 114.371 -1.286 . . . . 62.45 111.494 -170.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 14' ' ' ILE . 38.4 mtm180 -69.95 -36.94 75.65 Favored 'General case' 0 C--O 1.215 -0.735 0 CA-C-O 118.468 -0.777 . . . . 73.34 111.496 -176.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.434 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 24.4 m95 -58.59 -42.64 88.54 Favored 'General case' 0 N--CA 1.493 1.709 0 CA-C-N 118.485 0.584 . . . . 64.34 110.741 173.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -58.31 -45.4 88.09 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 123.873 0.733 . . . . 74.15 110.088 175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 32.9 mmt180 -66.87 -32.96 74.56 Favored 'General case' 0 C--O 1.215 -0.752 0 O-C-N 123.8 0.688 . . . . 70.43 111.407 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.6 mt -64.08 -44.31 97.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 C-N-CA 123.405 0.682 . . . . 71.24 109.802 178.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -66.44 -43.32 85.95 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.591 0.756 . . . . 61.11 111.736 178.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 91.2 mt -61.16 -47.87 84.2 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.301 -0.863 . . . . 64.24 110.633 177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.471 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 80.8 mt -62.92 -54.6 36.1 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.694 0.798 . . . . 63.24 110.602 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.448 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 61.5 p -53.11 -43.85 67.18 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.885 0.874 . . . . 74.44 111.613 -175.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -62.68 -51.03 68.81 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 115.527 -0.76 . . . . 74.53 111.082 176.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.3 m -63.35 -45.08 92.84 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.495 0.718 . . . . 62.53 112.3 -174.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.574 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -79.86 -21.67 43.82 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 122.65 0.38 . . . . 72.13 111.308 -176.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.7 tp -62.58 -43.85 97.79 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.55 -0.537 . . . . 72.24 109.55 169.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -59.84 -45.12 93.41 Favored 'General case' 0 C--N 1.349 0.558 0 CA-C-N 114.773 -1.103 . . . . 72.51 110.154 174.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.64 -33.67 76.14 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.487 0.715 . . . . 55.3 111.824 179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.98 -48.76 64.92 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.515 0.726 . . . . 51.15 110.973 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -76.3 -15.61 59.95 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 122.56 0.344 . . . . 54.42 111.134 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -80.7 -24.52 38.78 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.749 0.82 . . . . 70.41 110.919 172.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 88.17 7.13 73.86 Favored Glycine 0 C--N 1.348 1.233 0 O-C-N 123.556 0.535 . . . . 43.12 112.762 -176.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.3 75.06 4.83 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.933 0.893 . . . . 73.11 109.575 174.201 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.4 m95 -69.24 -33.01 72.63 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.294 -0.866 . . . . 75.52 111.168 -177.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -56.54 -50.36 72.09 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 124.107 0.963 . . . . 74.54 110.089 177.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 71.6 mt -73.6 -35.22 65.36 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 114.141 -1.39 . . . . 74.35 110.678 -177.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.574 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.6 tp -58.65 -48.8 79.82 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.461 0.705 . . . . 73.23 110.509 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.585 HD21 HD12 ' A' ' 443' ' ' LEU . 63.6 mt -75.82 -23.81 55.8 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 115.218 -0.901 . . . . 64.34 111.185 -177.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -69.39 -38.47 78.0 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 109.939 -0.393 . . . . 71.35 109.939 173.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.5 mm-40 -85.4 -15.18 43.96 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 115.881 -0.6 . . . . 63.43 111.668 178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -53.06 -59.02 5.06 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.422 1.089 . . . . 70.2 110.721 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.2 m -59.82 -39.34 79.65 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 114.731 -1.122 . . . . 52.1 111.378 -175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.5 m -63.17 -47.58 82.05 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.109 0.963 . . . . 63.11 110.49 178.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.448 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.1 t80 -67.87 -57.66 5.88 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 125.098 1.359 . . . . 73.42 111.762 -173.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.5 mt -61.21 -40.05 92.54 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 123.947 0.779 . . . . 73.12 110.832 -178.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -63.54 -43.16 97.89 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.178 0.299 . . . . 61.33 111.283 178.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.5 m -59.94 -40.67 89.75 Favored 'General case' 0 C--O 1.251 1.172 0 O-C-N 123.589 0.556 . . . . 65.53 111.307 179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.582 ' O ' ' HG2' ' A' ' 48' ' ' MET . 63.0 mt -60.86 -60.92 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.537 0 CA-C-N 115.745 -0.661 . . . . 62.11 109.383 173.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -56.49 -30.94 63.55 Favored 'General case' 0 CA--C 1.551 1.019 0 C-N-CA 123.273 0.629 . . . . 75.21 112.301 -174.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.6 t -84.81 -22.99 29.31 Favored 'General case' 0 CA--C 1.552 1.042 0 N-CA-C 112.761 0.652 . . . . 54.04 112.761 -177.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.56 HG23 ' SD ' ' A' ' 48' ' ' MET . 34.1 m -77.07 -29.11 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 CA-C-N 119.16 0.891 . . . . 73.3 110.213 168.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 44' ' ' ILE . 62.6 mmm -85.75 -19.67 30.43 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 112.403 0.52 . . . . 74.21 112.403 -175.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -71.07 -24.55 62.35 Favored 'General case' 0 N--CA 1.495 1.809 0 CA-C-N 118.191 0.451 . . . . 60.43 110.751 172.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm -78.02 -12.06 59.96 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.474 0.71 . . . . 73.24 110.9 169.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 59.82 27.53 16.86 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 125.32 1.448 . . . . 74.2 111.579 178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 54.4 m 61.77 98.94 0.04 OUTLIER Pre-proline 0 CA--C 1.555 1.172 0 O-C-N 124.434 1.084 . . . . 74.43 110.251 -170.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.515 ' O ' HG12 ' A' ' 56' ' ' ILE . 48.8 Cg_exo -57.23 124.74 16.88 Favored 'Trans proline' 0 C--N 1.371 1.719 0 C-N-CA 122.541 2.161 . . . . 65.2 110.626 176.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 27.3 Cg_exo -64.99 -8.0 16.88 Favored 'Trans proline' 0 C--N 1.368 1.574 0 C-N-CA 122.674 2.249 . . . . 65.44 114.754 -175.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.61 58.49 5.0 Favored Glycine 0 C--N 1.353 1.511 0 C-N-CA 122.674 0.178 . . . . 73.0 112.695 179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 53' ' ' PRO . 50.9 mm -122.49 117.83 53.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 124.45 1.1 . . . . 54.32 109.142 -176.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.6 t -75.58 166.2 23.94 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 109.427 -0.583 . . . . 75.21 109.427 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.9 ppt_? -68.26 -25.66 65.28 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.827 0.451 . . . . 62.5 112.081 -169.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.6 t -70.52 -46.61 63.3 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.022 0.529 . . . . 73.34 110.276 177.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.557 HG23 HG12 ' A' ' 8' ' ' ILE . 91.2 mt -64.07 -41.97 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.29 0.636 . . . . 71.53 110.286 177.483 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -60.84 -38.86 86.96 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.495 1.118 . . . . 74.44 111.052 177.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -65.37 -47.23 77.11 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.809 0.843 . . . . 63.24 110.761 177.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 51.9 mtm -56.87 -52.95 63.14 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 123.856 0.723 . . . . 65.04 109.98 -179.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.566 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.3 m -71.99 -29.89 34.75 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.244 0 CA-C-N 115.249 -0.887 . . . . 73.41 111.714 -175.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.62 -35.81 78.95 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 118.325 0.511 . . . . 71.32 110.151 173.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.3 -46.38 93.03 Favored Glycine 0 C--N 1.353 1.498 0 CA-C-N 115.449 -0.796 . . . . 75.05 111.57 171.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.418 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.2 m-85 -65.45 -34.38 78.14 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 123.108 0.563 . . . . 72.32 112.235 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 64' ' ' VAL . 51.8 mt -73.98 -38.03 48.71 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 N-CA-C 109.576 -0.527 . . . . 51.32 109.576 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.81 -38.21 89.79 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 109.587 -0.523 . . . . 73.12 109.587 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.449 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 28.8 mt-30 -65.83 -52.19 52.57 Favored 'General case' 0 C--N 1.355 0.813 0 CA-C-N 115.188 -0.915 . . . . 73.45 110.535 176.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 68' ' ' ILE . 6.1 t -63.75 -37.44 87.39 Favored 'General case' 0 C--O 1.214 -0.778 0 O-C-N 123.658 0.599 . . . . 74.12 110.814 -174.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.5 mt -63.7 -46.33 85.97 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.38 0.672 . . . . 75.04 110.842 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -63.26 -51.32 66.64 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 124.176 0.922 . . . . 44.12 110.814 -177.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -65.89 -41.88 90.99 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.574 0.75 . . . . 52.32 110.955 -176.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.511 ' HA ' HD12 ' A' ' 78' ' ' LEU . 37.0 tt0 -73.71 -26.62 60.79 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.193 0.997 . . . . 74.21 111.25 -178.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -68.39 -41.76 80.05 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.726 0.81 . . . . 72.14 109.641 171.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.8 mt -69.29 -31.99 70.85 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.51 -0.768 . . . . 62.11 110.508 176.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 75' ' ' GLU . 98.1 mt -63.27 -45.32 92.0 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 122.958 0.503 . . . . 74.55 109.889 171.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -53.14 -54.47 35.31 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 123.392 0.677 . . . . 72.04 110.646 -179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.92 -45.66 62.81 Favored Glycine 0 C--N 1.35 1.338 0 O-C-N 123.903 0.752 . . . . 63.54 113.988 -178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 tt -63.0 -55.39 26.09 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.772 0.829 . . . . 73.22 109.824 -176.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.1 mt -63.67 -31.49 72.67 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.9 -0.591 . . . . 64.33 111.013 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -58.89 -45.69 89.66 Favored 'General case' 0 N--CA 1.494 1.767 0 C-N-CA 122.677 0.391 . . . . 72.01 110.95 175.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -61.1 -47.78 84.69 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.189 -0.914 . . . . 64.03 110.39 176.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.2 mmp_? -61.02 -46.99 88.51 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 124.029 0.831 . . . . 52.23 111.247 -176.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 443' ' ' LEU . 62.7 mt -64.54 -36.46 84.29 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.071 0.948 . . . . 73.24 111.628 -178.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -62.12 -43.57 98.55 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.927 0.767 . . . . 73.42 110.525 176.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -69.59 -40.82 76.46 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.685 0.794 . . . . 64.44 110.893 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 94.6 mt -61.18 -51.88 67.16 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.196 0.598 . . . . 71.21 109.786 177.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 t -61.38 -34.33 75.15 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 124.746 1.218 . . . . 74.12 111.819 -178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.2 t -62.33 -46.77 87.22 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.567 -0.742 . . . . 74.43 110.428 176.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 80.0 mt -70.36 -40.09 74.24 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 115.778 -0.646 . . . . 75.34 111.689 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 94.7 mt -60.38 -44.53 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.117 0 C-N-CA 123.762 0.825 . . . . 71.25 109.928 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.81 -27.73 67.16 Favored Glycine 0 C--N 1.344 1.0 0 O-C-N 123.743 0.652 . . . . 75.25 113.554 -177.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -80.81 -51.82 8.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 122.998 0.519 . . . . 75.35 110.892 178.31 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 34.6 m -78.78 -29.05 14.26 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 N-CA-C 112.987 0.736 . . . . 73.14 112.987 -171.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.6 tt -86.2 119.01 26.02 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 107.699 -1.223 . . . . 71.11 107.699 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 67.8 m-85 -96.68 100.09 11.66 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.589 -0.893 . . . . 73.42 108.589 176.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 14.3 31.6 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.564 0.746 . . . . 75.04 111.213 179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 158.71 -66.22 0.29 Allowed Glycine 0 C--N 1.346 1.128 0 CA-C-O 119.501 -0.611 . . . . 75.24 111.942 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.07 134.82 38.25 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.592 2.194 . . . . 71.02 111.313 175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.9 m 64.6 20.42 12.14 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.387 1.075 . . . . 54.24 112.181 -177.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -106.9 119.84 40.44 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.577 0.751 . . . . 51.4 109.254 175.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.63 -10.21 66.69 Favored Glycine 0 C--N 1.349 1.292 0 O-C-N 123.612 0.57 . . . . 75.3 114.346 -175.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.5 pp -146.04 177.33 9.04 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.481 1.112 . . . . 74.34 109.698 178.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.0 t -67.18 108.55 2.58 Favored Pre-proline 0 N--CA 1.479 1.023 0 C-N-CA 123.366 0.667 . . . . 73.3 109.731 175.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_endo -96.91 25.44 0.26 Allowed 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 123.367 2.711 . . . . 61.35 112.769 -176.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.5 ttp180 -70.27 91.28 0.72 Allowed 'General case' 0 C--N 1.352 0.702 0 N-CA-C 108.84 -0.8 . . . . 71.23 108.84 174.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -152.69 109.54 0.42 Allowed Glycine 0 C--N 1.34 0.775 0 CA-C-N 115.331 -0.849 . . . . 74.32 111.428 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 22.8 m -83.09 167.3 17.96 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.198 0.599 . . . . 74.51 110.459 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.22 -52.85 4.12 Favored Glycine 0 C--N 1.346 1.113 0 N-CA-C 111.43 -0.668 . . . . 65.4 111.43 -174.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 175.56 -166.46 37.86 Favored Glycine 0 C--N 1.343 0.946 0 CA-C-O 121.112 0.285 . . . . 73.11 112.704 175.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.408 HG22 ' H ' ' A' ' 114' ' ' GLU . 2.6 mp -109.13 178.29 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.558 1.267 0 N-CA-C 106.962 -1.495 . . . . 63.21 106.962 177.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.408 ' H ' HG22 ' A' ' 113' ' ' ILE . 0.6 OUTLIER -102.82 142.37 34.07 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.052 -1.03 . . . . 73.24 109.14 168.233 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 107.71 -174.27 19.21 Favored Glycine 0 C--N 1.344 0.996 0 O-C-N 123.09 0.244 . . . . 60.33 112.535 -179.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 23.3 t -78.3 -18.84 54.69 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.609 0.764 . . . . 74.31 110.738 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -58.12 -35.15 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 123.848 0.859 . . . . 73.35 109.875 170.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -59.49 -45.33 92.0 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.543 0.737 . . . . 65.51 111.206 173.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.1 mt-10 -60.44 -53.94 51.51 Favored 'General case' 0 C--N 1.346 0.416 0 O-C-N 124.207 0.942 . . . . 62.12 110.87 -175.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.3 t -61.18 -43.38 98.97 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.674 0.609 . . . . 72.11 111.485 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.24 -40.88 87.48 Favored 'Isoleucine or valine' 0 C--N 1.357 0.913 0 C-N-CA 122.373 0.269 . . . . 75.43 110.345 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.86 79.43 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.512 0.725 . . . . 42.43 111.799 -177.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.427 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 16.2 mmt180 -68.84 -54.35 16.2 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 109.097 -0.705 . . . . 74.13 109.097 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -69.65 -26.16 64.27 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 115.35 -0.841 . . . . 73.31 112.076 -175.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -76.04 -38.46 57.18 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.703 0.801 . . . . 51.05 109.768 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.28 -55.22 26.6 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.206 -0.664 . . . . 75.41 109.206 174.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -54.34 -41.05 68.63 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.885 0.874 . . . . 65.43 111.352 178.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 60.9 t80 -61.62 -62.88 1.5 Allowed 'General case' 0 C--N 1.35 0.606 0 CA-C-N 116.066 -0.515 . . . . 53.51 110.297 178.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 40.2 m -62.63 -35.16 78.69 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.036 0.934 . . . . 64.25 112.454 -172.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -69.08 -47.45 65.24 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.574 0.75 . . . . 73.0 111.322 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.585 HD12 HD21 ' A' ' 34' ' ' LEU . 8.1 mp -73.81 -19.62 60.7 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.457 0.303 . . . . 63.43 110.75 176.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -80.34 -42.25 23.3 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 124.338 1.055 . . . . 65.33 110.974 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.0 t -72.0 -34.09 68.61 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 109.414 -0.587 . . . . 73.54 109.414 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.559 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.1 ttt -60.41 -45.32 94.0 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 123.844 0.715 . . . . 64.02 109.499 170.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.46 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 33.1 ttm -60.53 -49.11 78.84 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 124.66 1.225 . . . . 73.15 112.56 -178.074 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 41.8 p -65.1 -38.83 91.98 Favored 'General case' 0 C--O 1.246 0.895 0 O-C-N 123.482 0.489 . . . . 72.24 110.765 -177.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -72.14 -40.7 67.86 Favored 'General case' 0 C--N 1.348 0.526 0 CA-C-N 115.804 -0.635 . . . . 64.33 111.518 177.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.559 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -72.7 -23.53 60.88 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 120.899 0.38 . . . . 73.4 110.446 -177.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.72 -50.11 53.42 Favored 'General case' 0 C--O 1.245 0.854 0 C-N-CA 124.148 0.979 . . . . 74.22 109.464 173.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -59.64 -46.6 88.53 Favored 'General case' 0 C--O 1.248 1.015 0 CA-C-N 114.902 -1.044 . . . . 70.42 110.921 177.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 40.1 p -62.68 -61.79 2.18 Favored 'General case' 0 C--N 1.346 0.419 0 CA-C-O 118.397 -0.811 . . . . 74.11 110.123 -177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 76.1 p -53.53 -28.98 34.33 Favored 'General case' 0 N--CA 1.485 1.318 0 C-N-CA 123.19 0.596 . . . . 72.42 112.601 -178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.425 ' O ' HG22 ' A' ' 458' ' ' THR . 33.2 t -61.61 -62.31 1.9 Allowed 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.609 0.568 . . . . 73.15 110.868 174.29 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . 0.491 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 3.0 p90 -72.84 -20.6 61.1 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 112.053 0.39 . . . . 72.44 112.053 -177.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.52 HD21 HG23 ' A' ' 44' ' ' ILE . 70.8 mt -74.19 -37.22 63.99 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.262 0.625 . . . . 73.5 110.951 178.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 455' ' ' SER . 7.1 t -74.6 -32.0 62.21 Favored 'General case' 0 N--CA 1.473 0.72 0 N-CA-C 110.267 -0.271 . . . . 71.42 110.267 178.56 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -59.89 -53.46 57.63 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-O 121.278 0.561 . . . . 71.4 109.617 169.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 28.6 tp60 -61.86 -35.18 77.53 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 114.331 -1.304 . . . . 74.51 111.217 -178.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . 0.411 ' HB2' HG21 ' A' ' 68' ' ' ILE . 30.0 t80 -65.58 -56.32 12.9 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.321 0.648 . . . . 73.44 110.353 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 32.0 m -61.0 -35.52 77.04 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 124.17 0.919 . . . . 64.11 111.187 -175.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.8 -52.04 14.39 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.172 0.589 . . . . 64.24 110.971 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.422 ' SD ' HG23 ' A' ' 64' ' ' VAL . 52.8 ttm -62.03 -33.98 75.36 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 115.611 -0.722 . . . . 72.12 110.784 -177.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 39.5 t-20 -81.51 -69.67 0.59 Allowed 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 108.911 -0.774 . . . . 44.25 108.911 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.11 79.37 1.83 Allowed 'General case' 0 CA--C 1.561 1.377 0 C-N-CA 123.123 0.569 . . . . 41.33 112.427 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 C--O 1.253 1.264 0 O-C-N 121.366 -0.833 . . . . 55.35 109.382 167.197 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 CA--C 1.552 1.025 0 CA-C-O 121.003 0.43 . . . . 75.14 110.525 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.5 p -64.76 -53.68 43.29 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.807 0.843 . . . . 64.43 111.739 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -63.74 -37.15 86.3 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.857 0.863 . . . . 50.43 111.122 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 8' ' ' ILE . 7.1 m -77.48 -34.79 54.2 Favored 'General case' 0 CA--C 1.553 1.092 0 CA-C-N 115.461 -0.79 . . . . 72.15 111.548 -175.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.5 p -73.31 -42.72 57.43 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 118.218 0.463 . . . . 63.53 110.688 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -63.76 -36.55 84.24 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 122.471 0.308 . . . . 35.42 110.178 177.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.606 ' HE1' HG23 ' A' ' 52' ' ' THR . 79.9 t80 -52.86 -56.14 18.03 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.238 1.015 . . . . 62.44 111.396 171.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.54 HG12 HG23 ' A' ' 60' ' ' ILE . 72.4 mt -58.57 -52.29 61.43 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.463 0 C-N-CA 123.607 0.763 . . . . 64.21 111.509 -179.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 86.6 m-20 -56.52 -50.71 71.01 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.326 1.016 . . . . 74.25 111.374 -175.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 52.4 mtm180 -68.27 -42.0 80.21 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 123.651 0.594 . . . . 71.43 111.117 -174.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 60.0 m95 -62.53 -39.45 93.6 Favored 'General case' 0 N--CA 1.483 1.18 0 CA-C-N 118.144 0.429 . . . . 74.33 111.282 175.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -56.5 -48.58 76.89 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.5 0.5 . . . . 75.42 110.163 172.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 75.8 mmt-85 -60.9 -41.16 95.53 Favored 'General case' 0 C--O 1.21 -0.986 0 O-C-N 123.722 0.639 . . . . 71.33 110.765 179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.6 mt -59.88 -44.28 93.93 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 124.075 0.95 . . . . 74.01 110.997 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.09 -40.06 71.77 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 122.52 0.328 . . . . 74.53 111.863 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.4 mt -67.29 -40.88 86.15 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.035 0.534 . . . . 75.51 111.172 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.444 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 92.7 mt -70.47 -48.86 53.76 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.548 0.739 . . . . 73.34 109.694 -177.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.472 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.4 p -56.48 -41.26 76.28 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 123.816 0.698 . . . . 65.12 111.476 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -60.34 -52.65 64.36 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.385 1.053 . . . . 75.04 111.533 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -61.97 -47.31 85.42 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.484 -0.78 . . . . 73.35 111.334 -177.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.523 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -76.15 -19.85 58.09 Favored 'General case' 0 C--N 1.352 0.69 0 C-N-CA 122.919 0.488 . . . . 73.51 111.708 -177.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 59.9 tp -65.91 -44.95 83.7 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 109.395 -0.595 . . . . 61.43 109.395 172.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 34.4 mt-10 -60.62 -40.33 91.48 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 114.496 -1.229 . . . . 60.22 110.452 174.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 21' ' ' LEU . 88.1 mt -65.35 -38.46 90.15 Favored 'General case' 0 CA--C 1.555 1.159 0 C-N-CA 123.436 0.695 . . . . 55.34 111.488 177.074 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -67.26 -45.9 75.29 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 123.429 0.692 . . . . 63.1 111.566 -177.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -77.16 -19.35 56.94 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 115.874 -0.603 . . . . 74.51 111.204 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.563 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -80.26 -20.43 44.51 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 123.226 0.61 . . . . 72.23 110.834 171.229 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 85.91 11.41 73.59 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 123.064 0.227 . . . . 44.5 113.171 -177.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.563 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 40.2 mm-40 -70.39 82.22 0.56 Allowed 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 123.513 0.725 . . . . 63.2 109.647 173.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.0 m95 -74.23 -41.36 61.45 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 122.284 0.233 . . . . 64.53 110.809 -175.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -54.6 -50.48 67.94 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.119 0.968 . . . . 52.2 110.708 177.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.4 mt -70.94 -38.19 72.87 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 114.064 -1.426 . . . . 72.23 110.822 -177.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.523 HD12 ' HB2' ' A' ' 21' ' ' LEU . 58.7 tp -59.9 -46.45 89.3 Favored 'General case' 0 N--CA 1.489 1.493 0 C-N-CA 123.873 0.869 . . . . 54.43 111.384 178.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.553 HD21 HD12 ' A' ' 443' ' ' LEU . 63.0 mt -75.23 -27.65 59.6 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.452 1.101 . . . . 72.33 111.07 -177.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -69.44 -33.65 73.26 Favored 'General case' 0 CA--C 1.548 0.866 0 CA-C-O 120.996 0.427 . . . . 74.25 109.991 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -82.55 -22.9 34.76 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.945 0.898 . . . . 65.32 111.665 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -49.48 -55.01 14.72 Favored 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.865 1.266 . . . . 64.55 111.019 177.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.3 m -60.14 -43.73 93.63 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 CA-C-N 114.717 -1.128 . . . . 64.42 111.676 -174.093 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.6 m -66.85 -53.67 30.15 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.734 0.814 . . . . 62.13 110.765 -177.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.472 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 20.3 t80 -59.79 -58.74 7.24 Favored 'General case' 0 C--O 1.252 1.201 0 CA-C-N 113.807 -1.542 . . . . 72.51 112.005 -175.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.3 -40.62 97.88 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.48 -0.782 . . . . 71.01 110.926 -177.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -57.79 -39.53 77.72 Favored 'General case' 0 N--CA 1.492 1.635 0 C-N-CA 122.891 0.476 . . . . 74.13 111.625 178.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.1 m -62.99 -44.37 96.22 Favored 'General case' 0 CA--C 1.552 1.03 0 O-C-N 123.691 0.619 . . . . 63.41 111.529 176.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.447 HG23 HD21 ' A' ' 457' ' ' LEU . 51.2 mt -63.15 -44.88 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 CA-C-O 121.787 0.803 . . . . 74.23 110.639 176.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 45.6 mt-10 -60.55 -47.21 87.17 Favored 'General case' 0 CA--C 1.535 0.394 0 CA-C-N 114.867 -1.06 . . . . 74.32 109.828 -178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 t -74.55 -30.07 61.6 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 112.154 0.427 . . . . 60.33 112.154 -171.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.7 m -69.08 -32.82 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.303 0 CA-C-N 118.661 0.664 . . . . 73.33 110.106 173.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.0 mmt -80.57 -24.22 39.36 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.248 0.462 . . . . 64.25 112.248 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 45' ' ' GLU . 11.4 mm-40 -77.9 -24.45 48.38 Favored 'General case' 0 N--CA 1.487 1.411 0 CA-C-N 118.23 0.468 . . . . 71.12 110.033 172.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -83.23 -2.12 54.79 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 123.203 0.601 . . . . 74.52 109.766 170.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 68.98 9.06 7.21 Favored 'General case' 0 C--N 1.363 1.17 0 C-N-CA 125.739 1.616 . . . . 64.44 112.442 175.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.606 HG23 ' HE1' ' A' ' 7' ' ' PHE . 53.5 m 62.09 105.38 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.263 0 C-N-CA 124.818 1.247 . . . . 75.14 110.83 -173.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 99.6 Cg_exo -46.42 125.18 8.78 Favored 'Trans proline' 0 C--N 1.387 2.565 0 C-N-CA 123.577 2.851 . . . . 73.22 112.972 178.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -74.98 -22.69 14.6 Favored 'Trans proline' 0 C--N 1.375 1.93 0 C-N-CA 122.826 2.35 . . . . 72.42 113.926 -177.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.79 70.11 3.23 Favored Glycine 0 C--N 1.347 1.181 0 CA-C-O 120.969 0.205 . . . . 65.01 112.723 -176.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 44.0 mm -120.29 121.91 66.91 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 124.234 1.013 . . . . 71.44 109.422 -174.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.2 t -75.26 164.65 26.23 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 122.947 0.499 . . . . 70.53 110.377 174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -67.91 -18.24 64.72 Favored 'General case' 0 CA--C 1.553 1.063 0 N-CA-C 112.801 0.667 . . . . 70.25 112.801 -174.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.5 m -72.26 -45.01 61.96 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-O 121.408 0.623 . . . . 61.42 111.077 175.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.54 HG23 HG12 ' A' ' 8' ' ' ILE . 84.6 mt -74.34 -37.81 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 114.88 -1.055 . . . . 75.05 109.543 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -63.14 -34.07 76.84 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.098 0.959 . . . . 75.2 110.291 176.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -65.1 -51.0 63.89 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.585 0.754 . . . . 53.41 111.23 173.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 64.1 mtm -56.33 -52.82 63.14 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.566 0.541 . . . . 73.43 110.841 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 68' ' ' ILE . 19.8 m -74.73 -27.71 20.94 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.847 0 CA-C-N 115.535 -0.757 . . . . 74.13 111.927 -173.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -35.95 81.59 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 118.143 0.429 . . . . 52.2 110.249 170.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.64 -42.14 93.54 Favored Glycine 0 C--N 1.351 1.368 0 CA-C-N 115.868 -0.605 . . . . 64.21 112.175 173.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.44 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 24.2 m-85 -65.81 -43.49 88.49 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 123.101 0.56 . . . . 63.22 111.625 -179.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 64' ' ' VAL . 67.7 mt -67.54 -42.9 87.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 109.34 -0.615 . . . . 63.33 109.34 179.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt -57.68 -49.85 75.12 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.844 0.458 . . . . 64.34 110.913 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -67.22 -40.17 86.34 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.943 -0.571 . . . . 72.03 110.283 -178.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.37 -27.39 65.28 Favored 'General case' 0 CA--C 1.552 1.03 0 CA-C-N 116.418 -0.356 . . . . 62.54 110.838 -177.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.4 mt -68.43 -48.75 63.78 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.72 0.808 . . . . 74.52 110.842 174.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.508 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 24.1 t70 -56.9 -53.25 60.09 Favored 'General case' 0 N--CA 1.471 0.589 0 O-C-N 124.311 1.007 . . . . 64.22 110.044 179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.452 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -62.79 -45.18 93.85 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 114.596 -1.184 . . . . 63.31 111.107 -175.464 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.578 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.6 tt0 -73.92 -24.5 59.68 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.604 0.761 . . . . 74.13 111.892 -176.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -72.39 -37.62 68.67 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.098 0.559 . . . . 74.21 110.06 172.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.508 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 68.3 mt -69.52 -32.91 72.04 Favored 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 115.76 -0.655 . . . . 71.42 110.102 176.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.578 HD12 ' HA ' ' A' ' 75' ' ' GLU . 81.3 mt -63.84 -46.48 84.85 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.077 0.551 . . . . 75.21 109.82 172.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -54.05 -51.6 63.54 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.822 0.849 . . . . 74.43 111.286 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.7 -44.27 71.42 Favored Glycine 0 C--N 1.349 1.277 0 O-C-N 123.63 0.581 . . . . 74.12 113.679 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.6 tt -64.11 -53.96 41.4 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.643 0.777 . . . . 75.2 109.711 -176.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.0 mt -66.83 -24.21 66.13 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.675 -0.693 . . . . 74.13 111.192 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.7 -46.5 87.85 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-N 118.254 0.479 . . . . 62.31 110.552 174.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -59.51 -48.92 79.78 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 124.414 1.071 . . . . 62.14 110.046 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.402 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.8 mmp_? -59.58 -49.02 79.4 Favored 'General case' 0 N--CA 1.473 0.725 0 CA-C-N 115.425 -0.807 . . . . 71.32 111.383 -176.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 443' ' ' LEU . 73.9 mt -69.7 -28.23 65.67 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.682 0.793 . . . . 74.11 111.694 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -65.13 -44.41 88.8 Favored 'General case' 0 N--CA 1.475 0.819 0 CA-C-O 121.361 0.6 . . . . 72.22 109.776 175.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -70.35 -45.04 66.93 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-N 114.813 -1.085 . . . . 72.24 111.259 179.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 93' ' ' ILE . 91.9 mt -62.96 -42.72 99.91 Favored 'General case' 0 C--N 1.357 0.9 0 C-N-CA 123.545 0.738 . . . . 63.44 110.147 -179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 39.4 t -59.7 -45.85 90.87 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.467 0.707 . . . . 72.12 110.484 177.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.2 t -59.87 -42.56 93.98 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 123.874 0.734 . . . . 61.13 111.086 177.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.68 -47.62 80.49 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.267 0.627 . . . . 72.24 111.002 179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 89' ' ' LEU . 80.3 mt -58.83 -42.3 85.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.676 0.791 . . . . 70.13 110.067 178.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -63.73 -33.65 87.83 Favored Glycine 0 CA--C 1.532 1.119 0 CA-C-N 116.167 -0.469 . . . . 73.11 113.402 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -83.35 -35.74 24.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.395 0.678 . . . . 74.11 111.784 -177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.496 HG23 HG22 ' A' ' 433' ' ' VAL . 31.2 m -89.68 -27.79 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 C-N-CA 122.535 0.334 . . . . 53.01 111.737 -175.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -89.91 112.38 23.73 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 108.369 -0.975 . . . . 72.43 108.369 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -87.11 86.03 7.27 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 107.54 -1.281 . . . . 74.23 107.54 171.018 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.76 12.51 10.66 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 123.514 0.726 . . . . 72.42 112.525 -175.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 159.64 -70.42 0.24 Allowed Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.228 -0.762 . . . . 73.53 111.467 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -57.55 143.87 93.62 Favored 'Trans proline' 0 C--N 1.377 2.061 0 C-N-CA 123.249 2.633 . . . . 64.51 112.684 177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.2 m 78.3 -43.74 0.37 Allowed 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 126.118 1.767 . . . . 63.54 111.906 -176.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -68.91 127.41 33.03 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.139 0.576 . . . . 60.25 110.685 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -84.72 41.07 3.0 Favored Glycine 0 C--N 1.352 1.421 0 CA-C-O 120.784 0.102 . . . . 54.4 113.006 -177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 pp -166.58 168.26 14.73 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 125.034 1.334 . . . . 71.35 108.868 -176.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.1 t -89.35 105.81 11.68 Favored Pre-proline 0 CA--C 1.554 1.117 0 N-CA-C 107.973 -1.121 . . . . 71.4 107.973 172.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -95.77 29.97 0.2 Allowed 'Trans proline' 0 C--N 1.371 1.733 0 C-N-CA 123.587 2.858 . . . . 74.52 113.011 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 -75.62 87.99 2.72 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.416 0.687 . . . . 74.2 109.912 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -148.56 84.78 0.17 Allowed Glycine 0 C--N 1.336 0.58 0 CA-C-N 114.991 -1.004 . . . . 73.13 111.404 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 30.5 p -73.49 96.61 2.43 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.343 0.657 . . . . 71.41 110.096 176.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 172.12 -57.01 0.17 Allowed Glycine 0 C--N 1.339 0.703 0 N-CA-C 111.163 -0.775 . . . . 54.12 111.163 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -173.66 106.92 0.23 Allowed Glycine 0 C--N 1.346 1.131 0 CA-C-O 120.099 -0.278 . . . . 64.3 112.534 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.47 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.4 mp -72.95 152.1 7.71 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.115 0 N-CA-C 108.662 -0.866 . . . . 63.03 108.662 176.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -83.72 101.13 11.34 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.586 0.754 . . . . 75.13 110.211 176.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 142.83 -177.67 21.69 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 116.444 -0.343 . . . . 33.15 113.593 175.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 8.5 t -76.94 -18.42 58.27 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.701 0.8 . . . . 63.12 110.68 178.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -42.77 53.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 C-N-CA 124.089 0.955 . . . . 70.53 109.824 169.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.68 -39.11 83.44 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 123.716 0.807 . . . . 74.44 111.677 178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.483 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.4 mt-10 -67.32 -58.13 5.36 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.011 0.819 . . . . 75.24 110.749 -177.314 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 10.0 t -61.5 -40.67 95.42 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.658 0.383 . . . . 72.14 111.681 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.496 HG22 HG23 ' A' ' 96' ' ' VAL . 55.9 t -61.06 -49.04 86.33 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.954 0 CA-C-O 119.163 -0.446 . . . . 72.51 109.926 176.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.2 -34.04 71.68 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.607 0.567 . . . . 71.05 111.95 -177.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 12.7 mmt180 -69.95 -52.95 20.23 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 110.287 -0.264 . . . . 73.24 110.287 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -69.39 -24.94 63.93 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 116.337 -0.392 . . . . 71.52 111.693 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -76.3 -39.8 53.22 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.57 1.148 . . . . 60.33 109.805 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -68.05 -48.11 66.52 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 122.978 0.511 . . . . 42.31 110.468 176.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -60.45 -40.37 90.88 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 122.989 0.516 . . . . 75.31 110.661 176.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -61.54 -56.17 22.95 Favored 'General case' 0 C--O 1.215 -0.734 0 C-N-CA 122.866 0.466 . . . . 74.11 109.811 177.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 58.5 m -62.85 -34.23 76.93 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.914 1.285 . . . . 73.13 112.996 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -79.62 -46.15 17.77 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.111 0.564 . . . . 61.41 111.125 -177.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.553 HD12 HD21 ' A' ' 34' ' ' LEU . 10.0 mp -67.98 -19.65 64.96 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 110.389 -0.226 . . . . 74.34 110.389 172.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -78.7 -48.62 14.62 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.689 1.196 . . . . 71.31 110.951 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.8 t -65.3 -33.65 76.49 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 109.597 -0.52 . . . . 75.22 109.597 177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.644 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.8 ttt -62.24 -50.92 69.81 Favored 'General case' 0 C--N 1.358 0.976 0 O-C-N 123.564 0.54 . . . . 71.12 110.004 172.277 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.424 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 33.3 ttm -58.99 -48.96 79.69 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.005 0.816 . . . . 52.22 112.466 -176.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 32.7 p -64.3 -45.84 86.21 Favored 'General case' 0 C--O 1.241 0.614 0 C-N-CA 123.347 0.659 . . . . 71.3 110.732 -176.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -66.95 -40.31 87.5 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.787 -0.642 . . . . 64.34 111.428 177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.644 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.1 pp -73.64 -24.34 59.99 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 123.107 0.254 . . . . 55.43 110.371 -177.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.3 t30 -73.29 -42.24 62.66 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.716 0.806 . . . . 44.42 109.206 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -67.57 -43.59 80.25 Favored 'General case' 0 C--O 1.242 0.675 0 CA-C-N 114.975 -1.012 . . . . 64.42 110.901 177.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 34.8 p -63.65 -60.02 3.86 Favored 'General case' 0 C--N 1.348 0.512 0 CA-C-O 118.638 -0.696 . . . . 70.24 109.587 179.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 87.1 p -54.46 -31.34 55.41 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 123.506 0.722 . . . . 44.44 112.207 -178.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.4 t -59.5 -65.2 0.71 Allowed 'General case' 0 C--O 1.247 0.951 0 O-C-N 123.696 0.623 . . . . 74.52 110.638 173.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . 0.433 ' HA ' HE21 ' A' ' 459' ' ' GLN . 0.9 OUTLIER -69.68 -21.35 63.52 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 111.983 0.364 . . . . 74.25 111.983 -176.929 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.447 HD21 HG23 ' A' ' 44' ' ' ILE . 43.8 mt -73.51 -43.43 60.09 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.709 0.803 . . . . 74.32 110.897 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 11.2 t -70.71 -37.21 73.54 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 120.49 0.186 . . . . 73.11 110.806 -179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . 0.433 HE21 ' HA ' ' A' ' 456' ' ' TYR . 15.7 mt-30 -68.33 -47.41 67.61 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-N 116.044 -0.525 . . . . 53.33 110.311 177.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -64.99 -33.89 77.13 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.888 0.875 . . . . 74.22 110.983 177.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . 0.413 ' HB2' HG21 ' A' ' 68' ' ' ILE . 34.5 t80 -63.23 -47.13 83.79 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.225 0.61 . . . . 53.51 110.521 174.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 28.0 m -61.22 -31.24 71.02 Favored 'General case' 0 CA--C 1.551 0.998 0 O-C-N 123.584 0.553 . . . . 74.13 110.527 177.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.89 -54.55 8.43 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.095 0.558 . . . . 60.33 111.83 177.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 49.8 ttm -67.01 -32.25 73.35 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 123.959 0.904 . . . . 74.01 110.986 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 48.3 t-20 -77.87 -66.08 0.89 Allowed 'General case' 0 CA--C 1.55 0.949 0 N-CA-C 108.942 -0.762 . . . . 65.25 108.942 177.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.74 77.41 1.51 Allowed 'General case' 0 CA--C 1.563 1.473 0 C-N-CA 122.817 0.447 . . . . 73.24 111.982 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 69.0 m . . . . . 0 N--CA 1.489 1.494 0 C-N-CA 123.555 0.742 . . . . 70.31 112.16 166.645 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 109.788 -0.449 . . . . 75.33 109.788 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 20.9 p -62.12 -58.03 9.32 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.953 0.901 . . . . 72.43 112.787 -171.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -60.49 -38.28 83.77 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.454 0.702 . . . . 70.31 111.283 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 39.3 m -71.13 -43.68 67.13 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.687 0.795 . . . . 71.25 111.567 -179.033 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.7 p -71.02 -37.76 69.02 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 CA-C-N 118.007 0.367 . . . . 71.12 110.809 -174.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -70.3 -33.72 71.89 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 122.624 0.37 . . . . 72.11 110.041 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.405 ' HB3' ' O ' ' A' ' 4' ' ' THR . 57.5 t80 -57.6 -56.34 23.21 Favored 'General case' 0 CA--C 1.557 1.23 0 C-N-CA 123.711 0.804 . . . . 71.3 110.47 171.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 99.7 mt -56.61 -55.02 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.371 0 C-N-CA 124.361 1.064 . . . . 65.23 111.212 -178.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.45 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 0.9 OUTLIER -60.61 -52.43 65.19 Favored 'General case' 0 C--N 1.351 0.643 0 CA-C-N 114.571 -1.195 . . . . 72.43 111.043 -173.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' O ' HG13 ' A' ' 14' ' ' ILE . 78.6 mtm180 -74.65 -32.22 62.19 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 118.371 -0.823 . . . . 73.41 112.221 -170.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 47.4 m95 -64.41 -38.81 92.33 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-N 119.008 0.822 . . . . 72.11 110.378 171.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 61.2 tt0 -61.6 -41.65 97.76 Favored 'General case' 0 C--N 1.356 0.887 0 O-C-N 123.469 0.481 . . . . 72.23 110.043 173.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 30.9 mmt180 -59.44 -49.62 77.1 Favored 'General case' 0 C--N 1.362 1.132 0 O-C-N 123.689 0.618 . . . . 74.23 109.621 177.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 10' ' ' ARG . 97.1 mt -55.08 -41.82 61.57 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.295 0 C-N-CA 124.543 1.137 . . . . 70.2 111.537 -177.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.09 -46.46 80.99 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.315 0.646 . . . . 61.02 111.522 178.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.98 -35.15 76.39 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.338 0.655 . . . . 53.34 111.13 -178.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.0 mt -69.44 -53.52 18.87 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.798 0.839 . . . . 73.04 109.613 -177.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.479 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 50.9 p -56.98 -43.67 81.9 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 124.459 1.099 . . . . 70.51 111.231 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -56.1 -51.96 66.01 Favored 'General case' 0 C--O 1.245 0.839 0 O-C-N 124.26 0.975 . . . . 74.22 110.819 176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.423 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 56.3 m -60.61 -58.27 9.17 Favored 'General case' 0 C--N 1.35 0.616 0 O-C-N 124.026 0.829 . . . . 71.24 111.027 -177.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.627 ' HB2' HD12 ' A' ' 33' ' ' LEU . 3.7 pp -67.88 -22.56 65.09 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.158 0.583 . . . . 73.34 112.43 -173.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 74' ' ' ASN . 60.1 tp -64.05 -48.99 74.1 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 109.233 -0.654 . . . . 74.51 109.233 172.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -63.71 -36.61 84.42 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 114.528 -1.215 . . . . 64.13 110.455 177.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 32' ' ' LEU . 64.5 mt -70.6 -31.59 68.63 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.567 0.747 . . . . 72.22 111.504 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.448 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -71.1 -45.76 63.04 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.721 0.808 . . . . 62.12 111.002 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -72.24 -28.06 62.91 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 122.935 0.494 . . . . 63.52 110.678 179.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -68.88 -26.09 64.94 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.545 0.738 . . . . 72.35 110.419 171.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 92.01 3.18 68.19 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 116.206 -0.452 . . . . 42.42 112.996 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.08 82.22 2.92 Favored 'General case' 0 C--N 1.347 0.468 0 N-CA-C 109.347 -0.612 . . . . 72.25 109.347 174.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.8 m95 -65.25 -29.06 69.8 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 115.153 -0.93 . . . . 73.13 110.578 179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.66 -51.26 70.71 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.337 1.055 . . . . 54.32 110.671 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 24' ' ' LEU . 79.0 mt -75.1 -33.82 61.65 Favored 'General case' 0 CA--C 1.543 0.708 0 CA-C-N 115.223 -0.899 . . . . 63.42 111.088 -176.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.627 HD12 ' HB2' ' A' ' 21' ' ' LEU . 48.9 tp -58.32 -52.64 64.76 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.922 0.889 . . . . 75.14 110.613 172.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.556 HD21 HD12 ' A' ' 443' ' ' LEU . 99.0 mt -70.03 -27.09 64.38 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.872 0.869 . . . . 45.24 111.782 -178.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -62.27 -45.21 94.3 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 109.445 -0.576 . . . . 71.22 109.445 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.523 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 86.1 mm-40 -82.91 -13.07 56.77 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.343 -0.844 . . . . 73.53 111.736 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -57.48 -55.12 38.95 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 123.807 0.843 . . . . 64.22 110.956 174.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.4 m -56.68 -45.8 82.78 Favored 'Isoleucine or valine' 0 C--N 1.358 0.939 0 O-C-N 124.37 1.044 . . . . 54.14 111.094 -175.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 32.5 p -67.89 -47.8 67.83 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.502 0.721 . . . . 70.43 110.669 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.479 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 30.0 t80 -59.29 -59.18 5.87 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.065 0.946 . . . . 71.3 112.099 -175.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 98.0 mt -64.98 -38.66 91.7 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 123.917 0.761 . . . . 60.54 110.68 -176.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -59.89 -42.59 94.11 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.288 0.367 . . . . 61.04 111.119 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.408 ' HA ' HG22 ' A' ' 46' ' ' THR . 71.9 m -63.4 -40.52 97.43 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.436 0.694 . . . . 72.35 111.451 -179.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.423 HG23 HD21 ' A' ' 457' ' ' LEU . 68.1 mt -64.32 -44.54 97.27 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-O 121.093 0.473 . . . . 61.25 110.756 177.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -72.82 -34.89 67.14 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 116.093 -0.503 . . . . 74.52 111.768 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.408 HG22 ' HA ' ' A' ' 43' ' ' SER . 11.0 t -74.47 -34.11 63.04 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.022 0.129 . . . . 74.51 110.775 -178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.01 -29.87 30.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.21 0 O-C-N 122.145 -0.347 . . . . 61.11 110.136 173.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' ' 51' ' ' GLN . 21.5 mmt -79.69 -11.3 59.86 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.312 0.645 . . . . 53.23 112.292 175.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.45 -31.69 70.16 Favored 'General case' 0 CA--C 1.552 1.047 0 N-CA-C 109.196 -0.668 . . . . 74.51 109.196 168.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -90.0 -24.76 21.14 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.934 0.894 . . . . 64.51 110.43 170.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.403 ' HA ' ' HA ' ' A' ' 48' ' ' MET . 9.1 tt0 61.44 -79.36 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 125.917 1.687 . . . . 63.51 109.958 -169.117 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.2 m -152.38 115.77 2.91 Favored Pre-proline 0 CA--C 1.541 0.599 0 C-N-CA 124.335 1.054 . . . . 70.25 108.256 172.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -58.96 139.64 91.75 Favored 'Trans proline' 0 C--N 1.37 1.697 0 C-N-CA 122.27 1.98 . . . . 75.21 111.093 166.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -65.31 -21.37 61.52 Favored 'Trans proline' 0 C--N 1.37 1.661 0 C-N-CA 122.449 2.1 . . . . 75.13 113.271 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.37 58.47 4.99 Favored Glycine 0 C--N 1.351 1.401 0 C-N-CA 122.67 0.176 . . . . 65.4 112.742 -178.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 50.0 mm -122.23 117.06 51.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 124.211 1.004 . . . . 61.21 108.8 178.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.9 t -79.25 173.12 12.9 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.791 0.836 . . . . 73.33 110.488 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -23.95 65.72 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.345 0.658 . . . . 74.15 112.104 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.5 t -70.4 -56.87 5.61 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 109.587 -0.523 . . . . 74.42 109.587 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.23 -35.83 64.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.303 1.041 . . . . 50.22 110.988 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -57.66 -47.48 82.14 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 124.008 0.923 . . . . 51.01 110.628 175.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -69.78 -35.35 74.82 Favored 'General case' 0 N--CA 1.483 1.207 0 O-C-N 123.935 0.772 . . . . 72.23 110.819 -177.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.4 mtp -60.33 -60.34 3.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.221 1.008 . . . . 73.25 110.644 177.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.491 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.8 m -70.59 -24.14 25.0 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.918 0 CA-C-N 115.236 -0.893 . . . . 74.02 111.066 -177.369 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.37 93.57 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 109.71 -0.478 . . . . 64.24 109.71 171.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.95 -43.42 98.93 Favored Glycine 0 C--N 1.346 1.124 0 CA-C-N 115.939 -0.573 . . . . 65.22 112.107 174.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.4 m-85 -64.54 -41.65 96.21 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.22 0.608 . . . . 74.14 112.0 -177.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.565 HG21 ' HB2' ' A' ' 461' ' ' PHE . 61.8 mt -72.45 -37.06 56.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 N-CA-C 109.59 -0.522 . . . . 70.1 109.59 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.2 ttpp -63.68 -40.11 95.99 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 110.207 -0.294 . . . . 74.11 110.207 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -61.5 -50.16 73.83 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-N 115.882 -0.599 . . . . 72.33 110.229 174.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.36 -32.68 73.78 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 115.434 -0.803 . . . . 64.51 110.975 -173.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.75 -44.81 84.79 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.545 0.738 . . . . 73.42 110.255 175.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -60.73 -51.1 70.79 Favored 'General case' 0 C--O 1.244 0.806 0 CA-C-N 115.316 -0.856 . . . . 72.14 110.615 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' HA ' HD22 ' A' ' 22' ' ' LEU . 12.7 m120 -65.76 -44.78 84.84 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.231 -0.895 . . . . 64.23 111.212 -177.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.579 ' HA ' HD12 ' A' ' 78' ' ' LEU . 44.0 tt0 -70.02 -28.02 65.15 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.355 1.062 . . . . 73.31 112.037 -177.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -70.22 -42.15 72.68 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 121.202 0.525 . . . . 63.31 109.721 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 86.2 mt -65.8 -31.06 71.81 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 115.479 -0.782 . . . . 71.01 111.1 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.4 mt -62.31 -49.51 75.33 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.794 0.437 . . . . 60.13 110.047 172.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -51.9 -54.52 28.34 Favored 'General case' 0 CA--C 1.545 0.775 0 O-C-N 124.123 0.889 . . . . 75.54 110.458 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.71 -58.5 11.93 Favored Glycine 0 C--N 1.354 1.547 0 O-C-N 123.714 0.634 . . . . 64.32 113.876 179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -56.83 -56.03 26.85 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 124.526 1.131 . . . . 64.45 110.635 -174.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.469 HD22 HD23 ' A' ' 443' ' ' LEU . 77.4 mt -64.8 -35.18 80.28 Favored 'General case' 0 C--O 1.211 -0.945 0 CA-C-O 118.621 -0.704 . . . . 73.01 110.931 -176.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -61.66 -39.54 91.73 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 118.358 0.526 . . . . 62.32 111.389 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.405 ' O ' ' HG3' ' A' ' 88' ' ' GLU . 25.3 mt-30 -61.79 -50.61 71.67 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.609 -0.723 . . . . 71.41 110.144 174.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.16 -44.24 92.13 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.06 0.944 . . . . 64.52 111.618 -178.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.716 HD21 ' HB2' ' A' ' 443' ' ' LEU . 91.9 mt -69.82 -36.52 75.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.352 1.061 . . . . 74.21 111.696 -177.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -64.22 -37.61 88.1 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 123.705 0.628 . . . . 73.35 109.815 178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 84' ' ' GLN . 39.8 mt-10 -65.12 -47.95 75.31 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 114.964 -1.016 . . . . 71.02 110.631 174.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.45 ' O ' HG13 ' A' ' 93' ' ' ILE . 97.1 mt -59.55 -41.03 89.19 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.445 0.698 . . . . 75.24 111.005 178.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 46.1 t -63.21 -40.52 97.71 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.399 1.08 . . . . 70.24 111.023 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.48 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 32.4 t -63.17 -45.54 91.32 Favored 'General case' 0 C--N 1.353 0.74 0 CA-C-N 115.385 -0.825 . . . . 72.14 110.009 175.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.446 ' O ' HG22 ' A' ' 96' ' ' VAL . 95.7 mt -60.13 -39.46 86.38 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.037 0.935 . . . . 72.11 111.426 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 89' ' ' LEU . 75.7 mt -62.25 -46.24 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 C-N-CA 123.342 0.657 . . . . 75.01 109.471 174.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.76 -26.59 67.13 Favored Glycine 0 C--N 1.346 1.134 0 CA-C-N 116.09 -0.505 . . . . 73.11 113.887 -179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.48 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.6 mm100 -82.5 -50.38 8.9 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.404 0.681 . . . . 70.52 111.346 -178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.446 HG22 ' O ' ' A' ' 92' ' ' LEU . 26.8 m -83.83 -44.63 18.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.298 0 C-N-CA 122.539 0.336 . . . . 70.45 111.804 -173.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.544 ' HA ' HD11 ' A' ' 429' ' ' ILE . 0.8 OUTLIER -76.95 115.89 17.14 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 108.443 -0.947 . . . . 64.32 108.443 -178.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -75.98 83.43 2.87 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 107.264 -1.384 . . . . 72.01 107.264 167.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.68 -11.78 61.0 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.187 0.595 . . . . 74.12 112.306 -172.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -171.53 -71.91 0.04 OUTLIER Glycine 0 C--N 1.348 1.242 0 N-CA-C 111.315 -0.714 . . . . 64.41 111.315 177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.55 -170.51 0.96 Allowed 'Trans proline' 0 C--N 1.377 2.057 0 C-N-CA 123.129 2.553 . . . . 63.44 113.056 176.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.1 m 65.8 27.66 11.04 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.952 1.301 . . . . 72.03 112.046 179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.421 ' HB3' ' HG3' ' A' ' 107' ' ' PRO . . . -157.42 140.26 15.06 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.794 0.838 . . . . 73.3 109.754 175.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.68 -39.39 66.87 Favored Glycine 0 C--N 1.348 1.209 0 O-C-N 123.633 0.583 . . . . 71.52 112.483 176.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 pp -81.85 178.34 8.37 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 122.867 0.467 . . . . 74.11 109.773 171.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.3 t -89.5 104.42 8.06 Favored Pre-proline 0 CA--C 1.55 0.953 0 N-CA-C 108.722 -0.844 . . . . 72.42 108.722 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.421 ' HG3' ' HB3' ' A' ' 103' ' ' ALA . 23.0 Cg_endo -93.68 18.51 0.9 Allowed 'Trans proline' 0 C--N 1.368 1.591 0 C-N-CA 123.487 2.791 . . . . 70.14 112.552 -177.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -76.17 76.07 2.99 Favored 'General case' 0 CA--C 1.55 0.978 0 CA-C-O 121.997 0.903 . . . . 74.24 109.363 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -108.09 58.1 0.41 Allowed Glycine 0 C--N 1.339 0.699 0 N-CA-C 110.446 -1.062 . . . . 61.24 110.446 179.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.8 p -66.26 100.54 0.63 Allowed 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.545 0.738 . . . . 74.22 109.668 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 134.91 -40.13 1.6 Allowed Glycine 0 C--N 1.34 0.756 0 CA-C-N 115.114 -0.948 . . . . 61.01 111.183 -177.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -169.02 122.38 1.01 Allowed Glycine 0 C--N 1.346 1.103 0 N-CA-C 112.191 -0.364 . . . . 73.14 112.191 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.592 HG22 ' H ' ' A' ' 114' ' ' GLU . 1.6 mp -100.42 -176.2 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.568 1.67 0 N-CA-C 107.459 -1.311 . . . . 75.51 107.459 177.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.592 ' H ' HG22 ' A' ' 113' ' ' ILE . 1.0 OUTLIER -121.28 136.21 55.0 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.921 0.889 . . . . 63.4 109.242 174.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 103.77 -171.26 19.86 Favored Glycine 0 C--N 1.345 1.037 0 C-N-CA 123.219 0.438 . . . . 63.13 112.158 -179.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 20.8 t -68.89 -22.8 64.16 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.646 0.779 . . . . 53.1 111.49 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -60.46 -34.04 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 123.695 0.798 . . . . 51.31 109.785 174.483 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -61.86 -43.02 99.7 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.152 0.581 . . . . 63.33 111.297 175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -65.67 -52.38 52.06 Favored 'General case' 0 N--CA 1.474 0.771 0 O-C-N 124.127 0.892 . . . . 45.41 110.871 -175.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.2 t -65.1 -39.56 93.3 Favored 'General case' 0 CA--C 1.547 0.86 0 O-C-N 123.827 0.704 . . . . 71.21 111.217 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 56.0 t -68.04 -38.57 80.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 123.125 0.57 . . . . 52.53 110.862 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.84 -38.96 83.55 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 122.88 0.472 . . . . 75.11 110.485 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -73.22 -47.12 46.03 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 123.308 0.643 . . . . 73.33 111.221 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -61.98 -44.36 96.91 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 123.257 0.348 . . . . 75.35 111.151 -179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -65.31 -42.85 92.61 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 124.068 0.855 . . . . 71.3 110.397 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.91 -58.77 7.1 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 123.735 0.647 . . . . 60.01 110.715 177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -63.09 -38.82 92.71 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.204 0.602 . . . . 74.23 111.235 -176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . 0.45 ' HA ' HD22 ' A' ' 86' ' ' LEU . 82.5 t80 -61.82 -62.49 1.76 Allowed 'General case' 0 C--N 1.353 0.758 0 O-C-N 123.633 0.583 . . . . 64.02 109.486 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 59.7 m -56.63 -37.88 71.35 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.19 0.931 . . . . 60.33 112.059 -174.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -65.78 -54.17 30.53 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.398 0.679 . . . . 72.11 111.784 -178.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.716 ' HB2' HD21 ' A' ' 86' ' ' LEU . 9.1 mp -71.17 -23.94 62.15 Favored 'General case' 0 N--CA 1.487 1.422 0 C-N-CA 122.462 0.305 . . . . 71.43 111.309 178.208 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -79.8 -38.31 33.27 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 124.093 0.957 . . . . 63.35 111.349 -176.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.0 t -75.46 -31.9 60.44 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 109.201 -0.666 . . . . 54.14 109.201 174.684 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.596 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.5 ttt -60.22 -41.76 93.74 Favored 'General case' 0 C--N 1.361 1.092 0 N-CA-C 109.218 -0.66 . . . . 71.4 109.218 170.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.538 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 27.6 ttm -64.9 -49.04 72.0 Favored 'General case' 0 C--N 1.353 0.733 0 O-C-N 124.469 1.106 . . . . 65.44 112.286 -178.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 20.6 p -63.42 -37.24 86.53 Favored 'General case' 0 C--O 1.242 0.694 0 O-C-N 123.647 0.592 . . . . 64.11 110.803 -178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 47.6 mtpt -69.6 -46.02 67.26 Favored 'General case' 0 C--N 1.35 0.62 0 CA-C-N 115.967 -0.561 . . . . 75.33 110.921 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.596 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.3 pp -73.75 -18.25 61.0 Favored 'General case' 0 N--CA 1.483 1.184 0 CA-C-N 117.842 0.292 . . . . 71.41 111.391 -175.469 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -80.4 -41.48 24.54 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.283 0.633 . . . . 54.15 109.396 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -61.36 -48.09 82.86 Favored 'General case' 0 C--O 1.249 1.027 0 CA-C-N 115.614 -0.721 . . . . 61.44 109.779 174.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.435 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 68.8 p -62.34 -56.71 15.75 Favored 'General case' 0 C--O 1.213 -0.858 0 CA-C-O 118.014 -0.993 . . . . 72.01 109.64 -178.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 67.1 p -50.18 -38.78 41.42 Favored 'General case' 0 N--CA 1.483 1.197 0 C-N-CA 123.919 0.888 . . . . 61.44 112.654 -178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.7 t -57.87 -64.02 1.05 Allowed 'General case' 0 C--O 1.246 0.915 0 O-C-N 124.087 0.867 . . . . 73.31 110.884 176.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 4.6 p90 -72.68 -20.96 61.14 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 112.407 0.521 . . . . 75.31 112.407 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.423 HD21 HG23 ' A' ' 44' ' ' ILE . 35.6 mt -71.92 -42.51 66.61 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 123.779 0.832 . . . . 70.11 110.095 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.8 t -73.4 -34.33 65.46 Favored 'General case' 0 CA--C 1.544 0.746 0 O-C-N 123.546 0.529 . . . . 72.24 110.222 -179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -62.04 -49.23 76.81 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.486 0.491 . . . . 73.34 110.336 172.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 16.4 tm0? -69.95 -37.42 75.85 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.015 -0.993 . . . . 74.34 110.598 -174.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . 0.565 ' HB2' HG21 ' A' ' 68' ' ' ILE . 9.1 t80 -60.91 -57.11 14.02 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.296 1.038 . . . . 71.21 110.693 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 29.5 m -63.66 -29.41 70.65 Favored 'General case' 0 CA--C 1.546 0.789 0 O-C-N 123.912 0.758 . . . . 74.35 110.74 -177.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -68.92 -52.04 33.53 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 123.242 0.617 . . . . 74.1 111.019 174.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 39.8 ttm -65.04 -35.79 82.28 Favored 'General case' 0 N--CA 1.484 1.242 0 C-N-CA 123.395 0.678 . . . . 65.32 110.663 -174.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 41.3 t-20 -78.6 -64.2 1.23 Allowed 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 115.433 -0.803 . . . . 62.4 108.946 -177.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.07 81.1 1.96 Allowed 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.638 0.775 . . . . 64.2 111.955 175.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 41.0 m . . . . . 0 N--CA 1.491 1.619 0 C-N-CA 123.58 0.752 . . . . 64.32 112.135 167.336 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.2 ptt? . . . . . 0 CA--C 1.554 1.098 0 CA-C-O 121.781 0.801 . . . . 64.33 110.577 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.4 p -68.27 -45.21 73.75 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 115.78 -0.645 . . . . 54.51 111.938 -175.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 m -66.64 -32.1 73.2 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.876 0.47 . . . . 72.03 111.36 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.469 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 83.7 m -74.05 -39.59 63.4 Favored 'General case' 0 CA--C 1.549 0.923 0 CA-C-N 115.758 -0.656 . . . . 73.14 111.647 178.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.7 p -75.36 -35.76 34.1 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 O-C-N 121.957 -0.465 . . . . 75.24 111.169 -177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -70.25 -33.76 72.02 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.717 -0.475 . . . . 73.4 109.717 175.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.469 ' HB3' ' O ' ' A' ' 4' ' ' THR . 38.8 t80 -52.56 -53.22 49.33 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.569 0.748 . . . . 72.12 110.129 168.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.482 HG12 HG23 ' A' ' 60' ' ' ILE . 80.2 mt -57.11 -62.52 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.378 0 C-N-CA 123.742 0.817 . . . . 63.5 111.536 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.476 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 57.6 m-80 -61.28 -39.61 91.04 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.725 0.81 . . . . 41.14 112.542 -173.03 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.509 ' O ' HG13 ' A' ' 14' ' ' ILE . 69.2 mtm180 -76.82 -34.36 57.9 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-O 118.365 -0.826 . . . . 72.23 111.457 -175.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.415 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 48.1 m95 -61.62 -39.3 90.77 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 118.923 0.783 . . . . 71.22 110.062 170.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HB3' ' O ' ' A' ' 9' ' ' ASN . 64.7 tt0 -57.72 -44.62 86.08 Favored 'General case' 0 C--N 1.348 0.531 0 CA-C-N 115.375 -0.83 . . . . 71.41 110.435 172.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 65.9 mmt-85 -62.65 -42.32 99.54 Favored 'General case' 0 C--N 1.36 1.063 0 C-N-CA 122.595 0.358 . . . . 71.21 110.37 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.509 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.9 mt -59.36 -44.48 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 C-N-CA 123.764 0.826 . . . . 72.32 111.128 -176.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.47 -39.2 67.9 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 112.249 0.462 . . . . 72.01 112.249 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 95.5 mt -67.11 -40.22 86.81 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.722 0.409 . . . . 75.51 110.616 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 80.3 mt -70.28 -48.69 55.6 Favored 'General case' 0 C--O 1.218 -0.565 0 C-N-CA 123.278 0.631 . . . . 72.21 109.809 -179.188 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.462 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 69.2 p -55.81 -43.47 76.92 Favored 'General case' 0 N--CA 1.479 0.995 0 O-C-N 124.104 0.877 . . . . 64.31 111.339 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.9 -45.49 85.7 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.155 0.909 . . . . 62.33 110.71 178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.9 m -61.6 -60.31 3.88 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 122.97 0.508 . . . . 75.21 111.034 -179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.594 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.3 pp -67.36 -20.8 65.62 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 123.596 0.759 . . . . 64.22 112.035 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 60.5 tp -62.87 -55.37 26.8 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 109.565 -0.531 . . . . 61.54 109.565 170.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 27' ' ' ARG . 50.1 mt-10 -66.49 -27.19 67.59 Favored 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.337 1.023 . . . . 62.3 111.162 -177.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.626 HD13 ' HB3' ' A' ' 32' ' ' LEU . 85.8 mt -71.35 -49.83 38.37 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.669 0.788 . . . . 71.54 110.274 175.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.596 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -61.63 -37.15 82.94 Favored 'General case' 0 N--CA 1.489 1.503 0 C-N-CA 123.756 0.822 . . . . 74.43 111.484 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -68.99 -43.38 74.97 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 114.571 -1.195 . . . . 65.45 110.488 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.443 ' HB2' ' O ' ' A' ' 23' ' ' GLU . 0.5 OUTLIER -78.38 -10.24 59.6 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 123.722 0.809 . . . . 65.21 109.96 178.317 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.63 -2.91 45.79 Favored Glycine 0 C--N 1.352 1.452 0 CA-C-O 119.262 -0.743 . . . . 71.1 114.79 170.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.91 92.05 0.69 Allowed 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.444 0.698 . . . . 75.24 110.925 176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 24.3 m95 -75.37 -32.11 60.72 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.112 -0.495 . . . . 74.34 110.286 174.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.54 -57.22 13.64 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.943 0.897 . . . . 74.53 110.368 178.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.626 ' HB3' HD13 ' A' ' 24' ' ' LEU . 95.5 mt -69.3 -35.29 75.83 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-N 114.658 -1.155 . . . . 73.54 111.226 -178.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' A' ' 25' ' ' ALA . 52.8 tp -54.22 -58.73 6.28 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.128 0.571 . . . . 42.02 111.085 173.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.592 HD21 HD12 ' A' ' 443' ' ' LEU . 53.4 mt -71.0 -24.15 62.32 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.059 0.943 . . . . 74.33 111.698 -174.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -68.11 -41.64 81.47 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.821 0.848 . . . . 75.42 109.807 173.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -82.13 -22.83 35.95 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.254 0.621 . . . . 70.21 111.42 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.91 -55.38 14.65 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 125.138 1.375 . . . . 53.24 111.411 179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.1 m -59.99 -42.09 88.37 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 CA-C-N 114.369 -1.287 . . . . 65.13 111.05 -173.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.6 m -69.89 -36.47 75.46 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 123.531 0.732 . . . . 73.53 111.106 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.462 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 29.7 t80 -67.96 -59.38 3.32 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 124.747 1.219 . . . . 62.55 111.043 -176.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.5 mt -64.25 -37.37 87.25 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.674 0.79 . . . . 73.42 110.697 -178.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -55.15 -47.53 74.98 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.217 0.607 . . . . 71.51 110.869 172.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.467 ' HA ' HG22 ' A' ' 46' ' ' THR . 69.5 m -61.08 -40.75 94.9 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 123.876 0.735 . . . . 72.14 111.602 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.462 HG23 HD21 ' A' ' 457' ' ' LEU . 65.7 mt -65.34 -44.83 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-O 121.322 0.582 . . . . 71.23 110.686 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -72.1 -31.54 66.14 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 115.784 -0.644 . . . . 73.02 111.591 -177.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.467 HG22 ' HA ' ' A' ' 43' ' ' SER . 5.5 t -82.89 -26.26 31.71 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.59 0.356 . . . . 55.5 111.256 -175.141 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.7 m -75.85 -36.72 33.41 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.283 0 N-CA-C 109.656 -0.498 . . . . 61.24 109.656 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 mmt -73.96 -16.03 61.09 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.2 0.6 . . . . 75.03 111.978 176.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -68.29 -31.34 70.72 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.514 0.726 . . . . 71.52 109.778 170.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -104.35 11.46 34.68 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.287 1.035 . . . . 72.12 109.937 173.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.579 ' HG3' ' H ' ' A' ' 52' ' ' THR . 6.3 pt20 38.16 -94.68 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 126.668 1.987 . . . . 64.15 112.988 -172.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.579 ' H ' ' HG3' ' A' ' 51' ' ' GLN . 92.1 m -150.61 112.25 3.19 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 106.002 -1.851 . . . . 65.24 106.002 174.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' O ' HG12 ' A' ' 56' ' ' ILE . 81.3 Cg_exo -51.37 153.04 10.71 Favored 'Trans proline' 0 C--N 1.378 2.079 0 C-N-CA 123.204 2.603 . . . . 72.21 113.398 176.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -70.12 -24.03 28.47 Favored 'Trans proline' 0 C--N 1.371 1.752 0 C-N-CA 122.262 1.975 . . . . 64.21 111.957 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -94.04 60.75 1.96 Allowed Glycine 0 C--N 1.348 1.197 0 CA-C-N 115.973 -0.558 . . . . 52.35 112.268 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.438 HD13 HG23 ' A' ' 4' ' ' THR . 48.5 mm -108.31 105.97 19.8 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 N-CA-C 108.108 -1.071 . . . . 74.12 108.108 172.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.7 t -74.89 172.28 12.52 Favored 'General case' 0 N--CA 1.475 0.812 0 O-C-N 123.5 0.5 . . . . 73.22 110.2 178.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.71 -26.52 67.05 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 123.209 0.604 . . . . 70.11 110.914 -171.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 63' ' ' MET . 40.5 t -70.85 -51.82 24.11 Favored 'General case' 0 C--N 1.348 0.52 0 C-N-CA 123.88 0.872 . . . . 72.3 110.327 178.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.482 HG23 HG12 ' A' ' 8' ' ' ILE . 93.4 mt -61.67 -44.77 99.24 Favored 'Isoleucine or valine' 0 C--N 1.355 0.836 0 O-C-N 123.994 0.809 . . . . 74.33 110.139 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -61.04 -41.25 96.22 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.819 1.248 . . . . 72.33 111.418 -178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -67.37 -45.14 77.17 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.425 0.69 . . . . 74.1 111.104 178.564 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.433 ' HG3' ' O ' ' A' ' 59' ' ' SER . 51.4 mtm -59.67 -58.64 7.71 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 123.09 0.556 . . . . 65.1 110.501 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.563 HG23 ' SD ' ' A' ' 464' ' ' MET . 26.4 m -66.01 -31.2 52.63 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.813 0 CA-C-N 115.453 -0.794 . . . . 73.42 111.824 -175.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.81 -36.38 82.97 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 118.294 0.497 . . . . 74.05 110.496 173.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.14 93.33 Favored Glycine 0 C--N 1.355 1.605 0 CA-C-N 116.069 -0.514 . . . . 72.53 111.992 173.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.448 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 31.8 m-85 -67.95 -36.74 80.62 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 123.319 0.648 . . . . 71.23 111.396 178.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 64' ' ' VAL . 74.5 mt -71.08 -40.94 76.1 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 N-CA-C 109.295 -0.631 . . . . 65.52 109.295 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -58.89 -43.94 91.09 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.359 0.664 . . . . 62.42 110.768 177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.9 mt-30 -63.84 -51.58 64.05 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.389 -0.823 . . . . 73.41 110.89 177.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.451 HG22 ' HA ' ' A' ' 68' ' ' ILE . 4.7 t -65.47 -31.61 72.78 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 123.713 0.633 . . . . 75.11 110.992 -174.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 75.7 mt -67.34 -44.44 79.06 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.463 0.705 . . . . 75.13 111.116 175.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.422 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 25.1 t70 -59.9 -50.19 74.73 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 124.208 0.943 . . . . 74.11 110.419 178.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -65.99 -44.86 83.6 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.481 -0.781 . . . . 74.42 110.888 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.632 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.2 tt0 -70.34 -24.74 63.04 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.227 1.011 . . . . 71.31 111.778 -178.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -66.62 -48.99 67.73 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.453 0.701 . . . . 54.33 109.664 171.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 75.8 mt -66.18 -32.51 73.99 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.498 -0.774 . . . . 62.13 110.522 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.632 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.3 mt -62.83 -49.2 75.86 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.459 0.704 . . . . 73.51 110.304 172.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -52.42 -50.63 62.17 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.916 0.887 . . . . 71.03 111.256 -177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.48 -44.23 59.0 Favored Glycine 0 C--N 1.349 1.283 0 O-C-N 123.618 0.574 . . . . 64.43 113.627 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -59.85 -56.85 16.67 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.975 0.91 . . . . 73.1 109.686 -178.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.4 mt -63.27 -30.1 71.31 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 114.855 -1.066 . . . . 73.34 111.0 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.14 -44.56 96.34 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-N 118.265 0.484 . . . . 50.3 110.947 177.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -62.9 -49.9 73.0 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 124.148 0.905 . . . . 72.15 109.875 177.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.466 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.6 mmp_? -57.53 -54.19 49.64 Favored 'General case' 0 C--O 1.216 -0.662 0 O-C-N 124.123 0.89 . . . . 73.32 111.138 -178.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.437 HD21 ' HB2' ' A' ' 443' ' ' LEU . 89.5 mt -61.87 -35.52 78.55 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 124.108 0.963 . . . . 53.24 112.501 -178.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -60.44 -44.4 95.86 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.597 0.759 . . . . 70.31 109.726 176.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.436 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 36.1 mt-10 -68.86 -50.47 49.6 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.888 -1.051 . . . . 73.22 110.691 178.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 85.1 mt -57.97 -44.37 87.05 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 123.886 0.874 . . . . 70.43 110.288 -177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 34.2 t -61.59 -45.67 93.1 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 124.017 0.927 . . . . 71.2 111.074 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.3 t -59.48 -39.25 83.14 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 123.829 0.852 . . . . 61.24 110.837 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 96.3 mt -73.0 -42.5 63.2 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 115.507 -0.77 . . . . 72.23 111.695 -177.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 89' ' ' LEU . 91.4 mt -60.79 -38.5 79.06 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.207 0 C-N-CA 123.091 0.556 . . . . 74.12 109.949 177.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.52 -21.95 63.14 Favored Glycine 0 CA--C 1.533 1.218 0 CA-C-N 115.841 -0.618 . . . . 34.33 113.937 177.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -83.61 -57.19 3.33 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.732 0.813 . . . . 61.25 111.534 -178.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.4 m -77.29 -39.75 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.13 0 N-CA-C 111.948 0.351 . . . . 72.12 111.948 -173.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.403 ' HG ' HD11 ' A' ' 113' ' ' ILE . 2.8 tt -78.54 112.25 15.42 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 108.203 -1.036 . . . . 63.54 108.203 -177.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.4 ' HB2' ' HG2' ' A' ' 107' ' ' PRO . 71.5 m-85 -86.81 87.91 7.56 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 108.342 -0.984 . . . . 74.52 108.342 174.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.403 ' HG3' ' H ' ' A' ' 99' ' ' GLN . 2.3 pp0? -71.67 -9.61 58.52 Favored 'General case' 0 N--CA 1.479 1.02 0 CA-C-N 115.031 -0.986 . . . . 75.24 112.255 -173.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.51 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . -165.31 -76.56 0.03 OUTLIER Glycine 0 C--N 1.34 0.796 0 N-CA-C 111.571 -0.612 . . . . 73.15 111.571 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 40.8 Cg_endo -84.86 -168.93 0.57 Allowed 'Trans proline' 0 C--N 1.377 2.076 0 C-N-CA 123.354 2.702 . . . . 71.2 113.262 -178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 47.9 m 64.97 36.23 7.68 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 124.732 1.213 . . . . 64.02 111.533 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -160.9 155.56 23.66 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 114.718 -1.128 . . . . 62.54 109.451 -179.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.28 -29.8 75.54 Favored Glycine 0 C--N 1.35 1.342 0 O-C-N 123.101 0.251 . . . . 45.24 113.178 -179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.1 pp -125.21 -173.61 2.86 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.626 1.17 . . . . 74.52 108.246 169.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG13 ' HA2' ' A' ' 100' ' ' GLY . 59.4 t -98.23 104.95 25.62 Favored Pre-proline 0 CA--C 1.546 0.803 0 N-CA-C 108.409 -0.96 . . . . 63.22 108.409 173.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' ' 98' ' ' PHE . 69.0 Cg_endo -89.43 31.27 0.39 Allowed 'Trans proline' 0 C--N 1.376 2.007 0 C-N-CA 123.384 2.722 . . . . 52.22 112.516 -178.468 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.1 ttp180 -73.51 91.29 1.79 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.89 0.876 . . . . 74.24 109.506 177.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -94.56 151.31 20.09 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 111.215 -0.754 . . . . 24.53 111.215 174.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.7 m -82.96 63.4 7.03 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-O 122.029 0.918 . . . . 74.15 109.627 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 159.38 -59.26 0.32 Allowed Glycine 0 C--N 1.346 1.11 0 CA-C-N 114.696 -1.138 . . . . 74.35 111.021 -174.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -166.44 -156.08 9.31 Favored Glycine 0 C--N 1.352 1.447 0 CA-C-O 120.197 -0.224 . . . . 73.22 112.696 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.595 HG22 ' HG3' ' A' ' 114' ' ' GLU . 3.4 mp -112.96 -93.53 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.564 1.49 0 C-N-CA 123.723 0.809 . . . . 71.34 109.466 -176.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.595 ' HG3' HG22 ' A' ' 113' ' ' ILE . 0.7 OUTLIER -169.7 165.06 10.1 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 124.327 1.051 . . . . 74.14 109.661 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 62.5 -145.65 49.68 Favored Glycine 0 CA--C 1.537 1.415 0 N-CA-C 113.85 0.3 . . . . 74.43 113.85 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 21.3 t -83.28 -20.3 34.71 Favored 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.225 0.61 . . . . 62.44 111.405 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -70.62 -31.38 46.0 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 N-CA-C 109.093 -0.706 . . . . 73.22 109.093 175.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.469 ' HB2' ' N ' ' A' ' 114' ' ' GLU . 23.3 t70 -62.09 -45.86 91.64 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 123.287 0.635 . . . . 74.24 110.525 171.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.9 mt-10 -60.56 -50.91 71.63 Favored 'General case' 0 C--N 1.351 0.651 0 O-C-N 124.612 1.195 . . . . 75.14 110.765 -179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 1.9 t -67.32 -34.53 77.56 Favored 'General case' 0 CA--C 1.554 1.115 0 O-C-N 123.626 0.579 . . . . 63.23 110.811 -173.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 38.4 t -60.43 -49.27 84.99 Favored 'Isoleucine or valine' 0 C--N 1.361 1.108 0 N-CA-C 109.365 -0.606 . . . . 55.3 109.365 169.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -60.41 -31.04 70.0 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 124.174 0.989 . . . . 61.31 112.352 -179.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 18.3 mmt180 -70.7 -56.61 6.01 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 109.506 -0.553 . . . . 52.15 109.506 -179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -69.54 -24.68 63.76 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 115.309 -0.86 . . . . 70.11 111.545 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -72.87 -41.86 64.26 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.673 0.789 . . . . 62.31 109.712 176.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.88 -52.8 62.64 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.705 0.628 . . . . 73.13 110.067 177.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -62.3 -38.16 88.32 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 123.605 0.566 . . . . 64.53 111.109 -178.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -64.52 -60.02 3.63 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-O 119.157 -0.449 . . . . 72.43 110.168 178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 56.8 m -52.61 -43.65 65.49 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 124.196 0.998 . . . . 51.35 112.386 -175.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -75.22 -46.51 33.42 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 123.683 0.793 . . . . 73.03 111.86 -172.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.592 HD12 HD21 ' A' ' 34' ' ' LEU . 9.1 mp -69.71 -23.03 63.36 Favored 'General case' 0 N--CA 1.485 1.288 0 C-N-CA 122.295 0.238 . . . . 72.33 110.691 175.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -79.58 -43.96 21.97 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.911 0.884 . . . . 62.1 111.413 -179.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 9.8 t -67.73 -34.03 76.03 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 109.448 -0.575 . . . . 64.2 109.448 177.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.637 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.5 ttt -61.73 -47.81 83.55 Favored 'General case' 0 C--N 1.362 1.113 0 O-C-N 123.694 0.621 . . . . 73.04 109.633 171.509 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.401 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 15.8 ttm -57.13 -51.36 69.62 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.246 1.018 . . . . 72.4 112.605 -178.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 5.4 p -65.26 -39.91 93.25 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.624 0.578 . . . . 64.13 111.401 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 49.7 mtpt -71.44 -38.07 71.38 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-O 119.055 -0.498 . . . . 73.04 111.271 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.637 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.2 pp -76.43 -19.25 58.28 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 118.197 0.453 . . . . 63.34 110.613 -176.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -75.78 -44.77 39.74 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 123.931 0.892 . . . . 54.33 109.314 174.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -58.21 -50.35 73.84 Favored 'General case' 0 C--O 1.251 1.147 0 CA-C-N 114.476 -1.238 . . . . 41.3 110.27 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 48.9 p -62.96 -59.72 4.44 Favored 'General case' 0 C--N 1.352 0.674 0 CA-C-N 115.111 -0.95 . . . . 71.21 110.149 -178.247 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 93.2 p -51.99 -32.34 33.25 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.568 0.747 . . . . 70.31 112.399 -177.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.445 ' O ' HG22 ' A' ' 458' ' ' THR . 28.6 t -59.91 -65.07 0.74 Allowed 'General case' 0 CA--C 1.549 0.917 0 O-C-N 123.652 0.595 . . . . 62.44 110.886 173.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -72.05 -20.22 61.71 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.379 0.511 . . . . 54.22 112.379 -176.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.462 HD21 HG23 ' A' ' 44' ' ' ILE . 64.5 mt -75.51 -39.6 58.26 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.663 0.785 . . . . 63.43 110.881 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 455' ' ' SER . 5.8 t -70.7 -36.68 73.39 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 109.897 -0.408 . . . . 74.13 109.897 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -63.83 -43.25 96.74 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 123.492 0.495 . . . . 53.13 110.204 173.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 26.5 tp60 -66.96 -32.84 74.35 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.375 -0.829 . . . . 72.2 110.882 178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -67.42 -52.66 36.99 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 122.896 0.479 . . . . 64.33 110.323 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 53.5 m -59.46 -39.5 83.83 Favored 'General case' 0 CA--C 1.541 0.622 0 O-C-N 124.136 0.898 . . . . 71.03 111.196 -177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 467' ' ' SER . . . -76.13 -52.01 11.0 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 122.873 0.469 . . . . 52.24 111.725 -179.365 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.563 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.1 ttm -61.13 -33.21 73.03 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 122.926 0.49 . . . . 64.45 111.095 -177.27 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -81.01 -63.74 1.34 Allowed 'General case' 0 CA--C 1.551 0.987 0 CA-C-N 116.057 -0.519 . . . . 73.3 109.935 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.14 79.57 1.85 Allowed 'General case' 0 N--CA 1.494 1.733 0 N-CA-C 112.52 0.563 . . . . 72.12 112.52 175.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . 0.408 ' HB2' ' O ' ' A' ' 463' ' ' ALA . 9.8 t . . . . . 0 C--O 1.251 1.145 0 O-C-N 121.338 -0.851 . . . . 65.52 109.318 167.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 ptt? . . . . . 0 CA--C 1.55 0.957 0 CA-C-O 121.741 0.781 . . . . 74.11 110.611 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 28.1 p -64.8 -46.18 83.1 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-N 115.677 -0.692 . . . . 50.42 111.55 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 m -62.78 -38.97 92.75 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.808 0.843 . . . . 53.11 111.405 -179.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.459 ' O ' HG13 ' A' ' 8' ' ' ILE . 20.9 m -75.76 -35.75 60.06 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.661 -0.7 . . . . 73.41 111.658 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -75.38 -40.09 42.09 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.176 0 CA-C-N 117.86 0.3 . . . . 64.23 110.817 -179.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.06 -31.22 71.58 Favored 'General case' 0 N--CA 1.486 1.328 0 CA-C-O 120.92 0.391 . . . . 53.54 110.133 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.511 ' HE1' HG23 ' A' ' 52' ' ' THR . 37.2 t80 -57.73 -53.35 59.23 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.349 1.06 . . . . 70.42 110.875 170.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 4' ' ' THR . 77.9 mt -52.71 -57.47 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 C-N-CA 123.85 0.86 . . . . 52.55 110.504 178.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 80.0 m-20 -59.09 -47.53 84.9 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 113.435 -1.712 . . . . 73.12 111.972 -171.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' HE ' HG12 ' A' ' 47' ' ' VAL . 28.2 mtm180 -70.48 -44.23 68.12 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-O 118.509 -0.758 . . . . 74.2 112.071 -176.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -60.72 -36.36 78.65 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 118.554 0.615 . . . . 72.45 110.924 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.5 tt0 -60.47 -47.6 85.42 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.133 -0.939 . . . . 75.32 109.571 173.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.497 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 70.8 mmt-85 -63.13 -37.15 86.06 Favored 'General case' 0 C--O 1.209 -1.078 0 O-C-N 123.498 0.499 . . . . 63.04 111.025 178.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.7 mt -61.77 -42.84 96.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.581 0.752 . . . . 72.13 110.145 -179.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -42.67 74.76 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 122.957 0.503 . . . . 73.33 112.026 177.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 96.3 mt -65.77 -40.53 92.11 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.307 0.643 . . . . 62.12 111.134 -179.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.501 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 81.3 mt -73.44 -46.44 48.45 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.76 0.824 . . . . 71.0 110.351 -176.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.424 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 51.9 p -57.38 -42.32 81.93 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 123.883 0.74 . . . . 71.34 110.81 178.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -59.19 -51.25 70.8 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 124.29 0.994 . . . . 52.42 111.146 173.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.408 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 49.3 m -57.63 -53.29 59.81 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 123.494 0.718 . . . . 71.13 111.349 -177.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.715 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.0 pp -74.86 -20.53 59.7 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.545 -0.752 . . . . 73.22 111.691 -174.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -66.59 -44.03 83.3 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 109.569 -0.53 . . . . 73.45 109.569 173.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -58.9 -47.99 83.0 Favored 'General case' 0 C--N 1.35 0.611 0 CA-C-N 114.769 -1.105 . . . . 71.35 109.857 173.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD13 ' HB3' ' A' ' 32' ' ' LEU . 58.1 mt -65.17 -33.8 76.86 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.715 0.806 . . . . 73.22 111.801 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.467 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -68.32 -48.69 64.21 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.57 0.748 . . . . 73.41 111.22 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -71.48 -27.71 63.43 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 116.219 -0.446 . . . . 75.03 111.16 179.449 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -75.54 -18.88 59.65 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.466 0.707 . . . . 65.2 111.382 175.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.44 5.45 72.22 Favored Glycine 0 C--N 1.345 1.079 0 O-C-N 123.185 0.303 . . . . 71.21 113.281 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -75.62 83.74 2.64 Favored 'General case' 0 C--O 1.24 0.562 0 C-N-CA 123.049 0.54 . . . . 72.3 109.91 172.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.2 m95 -74.43 -34.54 63.25 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.176 -0.92 . . . . 63.52 111.117 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -62.18 -44.25 97.03 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.295 0.638 . . . . 72.02 110.351 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 ' HB3' HD13 ' A' ' 24' ' ' LEU . 83.9 mt -74.07 -34.88 64.18 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.347 -0.842 . . . . 74.12 111.023 179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.715 HD12 ' HB2' ' A' ' 21' ' ' LEU . 51.1 tp -56.5 -47.29 79.6 Favored 'General case' 0 N--CA 1.487 1.405 0 C-N-CA 123.666 0.786 . . . . 64.03 110.497 173.299 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.588 HD21 HD12 ' A' ' 443' ' ' LEU . 84.0 mt -75.36 -24.59 57.33 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.087 0.955 . . . . 65.22 111.824 -177.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -65.61 -38.05 88.34 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 109.971 -0.381 . . . . 72.53 109.971 172.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 62.2 mm-40 -82.55 -29.16 30.53 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.165 -0.471 . . . . 70.43 110.94 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.09 -61.12 1.58 Allowed 'General case' 0 N--CA 1.497 1.89 0 C-N-CA 125.259 1.424 . . . . 71.02 111.84 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.5 m -59.05 -45.26 92.48 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.548 0 CA-C-N 114.474 -1.239 . . . . 52.22 111.85 -173.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 19.7 m -68.15 -42.3 80.32 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.578 0.751 . . . . 62.51 111.739 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.5 t80 -67.34 -57.59 6.35 Favored 'General case' 0 C--O 1.246 0.891 0 C-N-CA 124.849 1.26 . . . . 70.23 111.256 -174.529 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.5 mt -61.08 -39.28 89.32 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.089 -0.96 . . . . 71.25 110.466 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -55.55 -45.23 77.3 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 123.437 0.695 . . . . 74.03 111.317 175.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.401 ' HA ' HG22 ' A' ' 46' ' ' THR . 70.8 m -63.06 -40.72 98.53 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 123.739 0.649 . . . . 73.23 111.171 -178.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.469 HG23 HD21 ' A' ' 457' ' ' LEU . 64.7 mt -63.02 -46.32 96.58 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.208 0 CA-C-O 121.652 0.739 . . . . 75.21 110.323 175.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -63.02 -39.61 95.25 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 114.983 -1.008 . . . . 71.23 111.445 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.41 ' HA ' ' HB3' ' A' ' 49' ' ' GLU . 7.0 t -83.79 -24.67 30.93 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 112.062 0.393 . . . . 74.21 112.062 -172.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.512 HG12 ' HE ' ' A' ' 10' ' ' ARG . 27.2 m -74.86 -34.42 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 CA-C-N 118.551 0.614 . . . . 75.32 110.158 172.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 25.9 mmt -77.64 -25.89 50.05 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.996 0.519 . . . . 75.2 111.585 175.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 38.6 tt0 -72.94 -31.15 64.4 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.6 0.76 . . . . 72.15 109.695 170.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.529 ' HD2' ' HG3' ' A' ' 53' ' ' PRO . 1.5 tmtm? -75.48 -2.29 28.14 Favored 'General case' 0 CA--C 1.56 1.34 0 CA-C-N 115.25 -0.886 . . . . 71.43 109.735 173.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 24.5 mm-40 70.42 9.39 6.94 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 125.706 1.602 . . . . 73.43 111.807 174.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.511 HG23 ' HE1' ' A' ' 7' ' ' PHE . 63.7 m 56.11 93.84 0.05 OUTLIER Pre-proline 0 CA--C 1.557 1.235 0 C-N-CA 124.346 1.058 . . . . 43.01 109.966 -168.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.529 ' HG3' ' HD2' ' A' ' 50' ' ' LYS . 67.7 Cg_exo -50.22 116.47 2.49 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 123.142 2.561 . . . . 73.1 112.251 -178.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -63.63 -11.9 28.6 Favored 'Trans proline' 0 C--N 1.373 1.827 0 C-N-CA 123.203 2.602 . . . . 73.42 114.448 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.49 58.3 5.03 Favored Glycine 0 C--N 1.349 1.301 0 C-N-CA 122.775 0.226 . . . . 72.11 113.248 -178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.401 HG12 ' O ' ' A' ' 53' ' ' PRO . 31.9 mm -114.16 127.5 71.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 C-N-CA 124.187 0.995 . . . . 72.31 108.837 -177.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.2 t -75.56 166.91 22.85 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 109.526 -0.546 . . . . 71.51 109.526 173.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -25.61 66.51 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.399 0.68 . . . . 74.52 111.399 -174.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.9 t -69.68 -51.84 31.0 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.677 0.791 . . . . 62.51 110.118 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.662 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 87.6 mt -66.17 -39.59 84.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.225 -0.898 . . . . 73.13 110.388 178.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -55.0 -43.37 73.54 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.712 1.205 . . . . 74.21 110.822 177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -67.76 -45.35 75.17 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 123.695 0.622 . . . . 54.23 111.101 178.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.662 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 34.3 mtm -56.76 -57.17 13.6 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 123.198 0.599 . . . . 72.15 110.828 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.61 HG23 ' SD ' ' A' ' 464' ' ' MET . 34.9 m -68.91 -30.29 46.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 CA-C-N 115.475 -0.784 . . . . 71.55 111.946 -175.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.05 -38.8 83.85 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.734 -0.469 . . . . 53.24 109.734 172.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.447 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -63.13 -46.92 92.23 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 115.264 -0.88 . . . . 51.32 111.786 172.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -62.88 -37.56 87.39 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.587 0.755 . . . . 71.24 112.636 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 64' ' ' VAL . 67.4 mt -69.7 -43.01 80.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 108.955 -0.757 . . . . 73.41 108.955 178.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.08 -40.04 84.02 Favored 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 123.689 0.796 . . . . 75.23 110.457 178.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.447 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 28.7 mt-30 -63.17 -51.56 65.89 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.514 0.725 . . . . 73.11 110.156 176.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.2 t -67.67 -30.19 69.67 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.499 -0.773 . . . . 62.05 110.958 -173.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.8 mt -67.8 -43.62 79.24 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.805 0.842 . . . . 62.34 110.801 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -57.92 -54.19 49.74 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 124.207 0.942 . . . . 71.4 110.184 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.41 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 7.9 m120 -66.16 -40.88 90.87 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.254 -0.884 . . . . 71.31 111.226 -174.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.5 tt0 -74.9 -25.11 58.7 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.937 0.895 . . . . 72.01 111.429 -177.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -73.62 -35.2 65.3 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 109.617 -0.512 . . . . 75.25 109.617 172.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 97.0 mt -71.14 -32.56 69.11 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.749 -0.659 . . . . 73.23 110.48 175.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -63.76 -46.64 84.35 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.009 0.524 . . . . 71.43 109.865 171.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -53.18 -49.6 66.35 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 115.139 -0.937 . . . . 73.44 110.925 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.02 -47.7 30.02 Favored Glycine 0 CA--C 1.537 1.444 0 O-C-N 123.519 0.512 . . . . 61.53 113.591 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -61.26 -57.57 11.85 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.114 0.966 . . . . 72.22 109.763 -177.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.461 HD22 HD23 ' A' ' 443' ' ' LEU . 78.7 mt -65.52 -26.9 68.1 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.486 -0.779 . . . . 54.45 111.36 -179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -56.98 -49.76 74.75 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 118.476 0.58 . . . . 51.43 110.495 173.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -62.23 -49.52 75.41 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 124.426 1.079 . . . . 65.1 110.055 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 1.6 mmp_? -56.14 -52.59 63.78 Favored 'General case' 0 C--N 1.353 0.728 0 C-N-CA 123.791 0.837 . . . . 72.43 111.415 -176.394 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.466 HD21 ' HB2' ' A' ' 443' ' ' LEU . 98.1 mt -68.61 -32.35 72.18 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.951 0.9 . . . . 73.12 112.59 -177.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -63.97 -46.87 82.69 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-O 121.289 0.566 . . . . 63.01 109.996 176.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 41.6 mt-10 -61.56 -51.63 67.76 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 114.7 -1.137 . . . . 74.32 110.183 176.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 77.0 mt -57.97 -43.32 86.41 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.521 0.728 . . . . 75.43 111.157 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.6 t -62.28 -40.91 97.81 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.377 0.671 . . . . 61.32 110.997 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.6 t -65.43 -40.3 93.13 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.183 0.593 . . . . 72.54 110.808 177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.2 mt -66.75 -42.07 86.77 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.837 0.855 . . . . 74.34 111.264 179.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 93.1 mt -65.64 -38.12 81.58 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 C-N-CA 124.074 0.95 . . . . 70.32 109.707 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.56 -31.08 76.42 Favored Glycine 0 C--N 1.347 1.175 0 CA-C-N 116.314 -0.403 . . . . 53.23 113.069 177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -80.98 -40.19 24.76 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.217 0.607 . . . . 61.12 112.024 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.3 m -95.71 -32.02 4.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.338 0 N-CA-C 112.813 0.672 . . . . 64.33 112.813 -168.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 99' ' ' GLN . 1.0 OUTLIER -72.67 112.35 8.64 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 108.642 -0.873 . . . . 73.25 108.642 -177.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -79.09 76.94 5.59 Favored 'General case' 0 CA--C 1.548 0.882 0 N-CA-C 108.118 -1.067 . . . . 73.25 108.118 171.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.474 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -91.77 11.79 23.51 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.798 0.839 . . . . 74.31 111.776 -173.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 159.05 -69.1 0.26 Allowed Glycine 0 C--N 1.337 0.634 0 N-CA-C 110.968 -0.853 . . . . 71.41 110.968 178.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -77.78 -165.43 0.33 Allowed 'Trans proline' 0 C--N 1.372 1.814 0 C-N-CA 122.944 2.429 . . . . 75.13 111.783 170.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.0 m 64.57 27.95 13.31 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 124.229 1.012 . . . . 74.44 111.408 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -161.28 154.47 21.29 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.099 0.96 . . . . 61.21 109.892 -178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.56 -33.04 56.82 Favored Glycine 0 C--N 1.348 1.21 0 O-C-N 123.418 0.449 . . . . 72.5 112.021 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.47 -176.5 3.52 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 124.388 1.075 . . . . 75.32 109.878 172.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 43.5 t -103.23 99.1 13.52 Favored Pre-proline 0 CA--C 1.553 1.062 0 N-CA-C 108.937 -0.764 . . . . 74.1 108.937 175.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -91.9 24.2 0.54 Allowed 'Trans proline' 0 C--N 1.371 1.714 0 C-N-CA 123.772 2.982 . . . . 72.31 112.63 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.1 ttp-105 -70.7 84.41 0.64 Allowed 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 123.733 0.813 . . . . 74.12 110.385 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -131.45 93.73 0.3 Allowed Glycine 0 C--N 1.337 0.628 0 N-CA-C 110.283 -1.127 . . . . 53.01 110.283 177.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 70.2 m -66.83 104.27 1.3 Allowed 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 122.709 0.404 . . . . 64.44 110.099 176.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 115.22 -3.77 22.16 Favored Glycine 0 C--N 1.341 0.859 0 CA-C-N 115.661 -0.699 . . . . 73.52 112.723 -178.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -172.89 106.22 0.23 Allowed Glycine 0 C--N 1.356 1.661 0 CA-C-N 117.183 0.492 . . . . 64.01 113.778 -178.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.517 ' O ' ' HB2' ' A' ' 430' ' ' ASP . 2.9 mp -124.44 100.42 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 107.165 -1.421 . . . . 75.3 107.165 170.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -46.93 115.35 1.04 Allowed 'General case' 0 N--CA 1.492 1.646 0 C-N-CA 124.193 0.997 . . . . 73.41 113.655 -169.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 136.16 -172.73 22.25 Favored Glycine 0 C--N 1.346 1.086 0 CA-C-N 115.739 -0.664 . . . . 52.41 112.039 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 23.3 t -75.51 -13.94 60.39 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.21 0.604 . . . . 75.4 110.706 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -59.65 -39.69 80.24 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 C-N-CA 123.474 0.71 . . . . 74.24 109.872 171.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.517 ' HB2' ' O ' ' A' ' 113' ' ' ILE . 26.3 t70 -57.09 -40.88 77.82 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.577 0.751 . . . . 73.52 111.376 174.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.506 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 50.5 mt-10 -68.03 -52.38 36.11 Favored 'General case' 0 C--N 1.346 0.437 0 O-C-N 124.032 0.832 . . . . 63.25 111.046 -176.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.2 t -66.59 -34.63 78.31 Favored 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.15 0.281 . . . . 33.11 111.008 -178.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 25.6 t -64.61 -41.31 91.9 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.991 0 C-N-CA 122.584 0.354 . . . . 63.1 110.208 173.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -62.56 -41.23 98.78 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.172 0.589 . . . . 71.05 111.808 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 27.8 mmt180 -68.78 -50.62 48.83 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 122.935 0.494 . . . . 64.41 110.406 -178.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -71.29 -29.1 64.64 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.356 -0.838 . . . . 64.55 111.852 -177.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -68.35 -43.5 77.33 Favored 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 109.421 -0.585 . . . . 74.15 109.421 174.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.96 -57.72 11.46 Favored 'General case' 0 C--N 1.346 0.435 0 O-C-N 123.853 0.72 . . . . 60.22 109.932 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -57.15 -44.71 83.68 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.226 0.611 . . . . 73.41 111.696 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 93.4 t80 -62.91 -62.58 1.62 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.742 0.417 . . . . 71.32 110.739 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 37.6 m -63.52 -34.01 76.84 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.856 0.862 . . . . 73.2 112.372 -171.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -69.6 -46.18 66.89 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.388 0.675 . . . . 35.51 111.442 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.588 HD12 HD21 ' A' ' 34' ' ' LEU . 9.8 mp -73.79 -20.28 60.52 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 122.399 0.28 . . . . 75.42 110.947 175.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -79.77 -43.58 22.25 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.314 1.046 . . . . 74.14 110.909 -178.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 14.0 t -69.14 -35.55 76.48 Favored 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 108.782 -0.821 . . . . 64.4 108.782 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.619 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -60.22 -44.09 95.45 Favored 'General case' 0 C--N 1.364 1.213 0 O-C-N 123.547 0.529 . . . . 72.04 109.874 172.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.507 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 35.7 ttm -62.36 -53.86 48.85 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 124.11 0.881 . . . . 74.33 112.371 -178.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 26.0 p -60.06 -38.44 82.83 Favored 'General case' 0 C--O 1.247 0.953 0 O-C-N 123.553 0.533 . . . . 71.34 110.972 -176.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -66.98 -49.84 64.14 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 115.597 -0.729 . . . . 74.24 110.835 174.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.619 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.1 pp -70.41 -19.34 63.01 Favored 'General case' 0 N--CA 1.483 1.193 0 O-C-N 123.132 0.27 . . . . 74.03 111.537 -174.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -75.11 -50.47 16.27 Favored 'General case' 0 C--O 1.239 0.549 0 C-N-CA 123.751 0.821 . . . . 72.04 109.178 176.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -61.87 -41.81 98.31 Favored 'General case' 0 C--N 1.355 0.816 0 CA-C-N 115.141 -0.936 . . . . 73.22 110.581 177.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.441 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 56.0 p -65.49 -56.64 11.3 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-O 118.557 -0.735 . . . . 70.22 109.718 -178.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 88.9 p -53.25 -32.62 49.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.206 0.603 . . . . 64.12 112.096 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.9 t -60.38 -64.22 1.03 Allowed 'General case' 0 CA--C 1.55 0.958 0 O-C-N 123.771 0.669 . . . . 51.01 110.872 174.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -71.48 -21.36 61.95 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 112.474 0.546 . . . . 74.14 112.474 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.469 HD21 HG23 ' A' ' 44' ' ' ILE . 65.8 mt -73.79 -39.17 64.33 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.37 0.668 . . . . 65.14 110.755 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 8.0 t -74.36 -33.02 62.98 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 110.381 -0.229 . . . . 74.14 110.381 179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.5 mt-30 -67.95 -41.56 82.29 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 122.93 0.492 . . . . 75.25 110.587 173.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 16.7 tm0? -70.52 -33.67 71.45 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.324 0.65 . . . . 73.21 109.539 -179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 20.0 t80 -67.03 -37.26 83.81 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.347 0.659 . . . . 74.11 110.438 174.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 76.8 m -61.74 -39.71 92.52 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.462 0.305 . . . . 64.32 110.529 175.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.23 -51.87 22.22 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 116.344 -0.389 . . . . 72.21 111.423 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.61 ' SD ' HG23 ' A' ' 64' ' ' VAL . 58.6 ttm -62.05 -33.14 73.83 Favored 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 123.856 0.862 . . . . 74.45 111.254 -176.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 35.4 t-20 -79.83 -65.12 1.04 Allowed 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 108.74 -0.837 . . . . 70.55 108.74 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.4 79.96 1.8 Allowed 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.119 0.568 . . . . 72.03 111.987 179.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 64.1 m . . . . . 0 C--O 1.253 1.276 0 C-N-CA 123.466 0.706 . . . . 73.23 111.58 166.101 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.517 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 13.7 ptt? . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.946 0.403 . . . . 71.43 110.04 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 39.2 p -54.68 -48.8 71.96 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.737 0.815 . . . . 75.34 112.38 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -68.35 -35.13 77.29 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.338 0.655 . . . . 43.24 111.494 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.517 ' HB ' ' HB2' ' A' ' 1' ' ' MET . 41.4 m -71.57 -37.95 70.99 Favored 'General case' 0 CA--C 1.551 1.001 0 C-N-CA 123.211 0.604 . . . . 75.45 111.685 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.5 p -79.53 -37.26 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 122.604 0.362 . . . . 74.43 110.614 -175.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.67 -33.69 75.42 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 109.757 -0.46 . . . . 73.1 109.757 176.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.492 ' HE1' HG23 ' A' ' 52' ' ' THR . 53.4 t80 -55.06 -56.59 18.06 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.973 0.909 . . . . 64.04 110.434 169.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.533 HG12 HG23 ' A' ' 60' ' ' ILE . 81.3 mt -55.2 -60.75 1.38 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 123.821 0.848 . . . . 75.14 111.447 -178.006 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.472 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 63.5 m-80 -59.88 -45.33 92.85 Favored 'General case' 0 C--N 1.356 0.88 0 O-C-N 124.291 0.994 . . . . 72.41 111.525 -173.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.472 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.3 mtm180 -72.44 -32.88 66.66 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 118.361 -0.828 . . . . 61.31 112.387 -174.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.435 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 57.2 m95 -64.13 -38.03 89.58 Favored 'General case' 0 N--CA 1.49 1.541 0 CA-C-N 118.744 0.702 . . . . 75.13 110.325 171.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -62.81 -40.01 96.08 Favored 'General case' 0 C--N 1.351 0.661 0 O-C-N 123.656 0.597 . . . . 75.53 110.157 174.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 34.1 mmt180 -61.26 -52.37 65.04 Favored 'General case' 0 C--N 1.362 1.147 0 N-CA-C 109.07 -0.715 . . . . 72.4 109.07 175.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.7 mt -52.67 -42.14 40.18 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.395 0 C-N-CA 124.738 1.215 . . . . 74.15 111.491 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.89 -46.62 65.06 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.777 0.831 . . . . 51.21 112.178 -178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 98.5 mt -74.39 -31.41 62.34 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 123.119 0.568 . . . . 53.13 111.239 -176.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.468 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.9 mt -71.93 -50.86 25.46 Favored 'General case' 0 C--O 1.218 -0.561 0 CA-C-O 118.724 -0.655 . . . . 71.22 109.333 178.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.535 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 67.8 p -55.36 -44.64 76.19 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 124.248 0.967 . . . . 73.55 111.072 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -61.12 -48.47 81.49 Favored 'General case' 0 CA--C 1.546 0.822 0 O-C-N 124.283 0.989 . . . . 65.31 111.111 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 75.2 m -65.22 -53.15 48.8 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.275 0.63 . . . . 64.44 111.767 -177.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.59 ' HA ' HD12 ' A' ' 24' ' ' LEU . 4.3 pp -69.8 -20.99 63.44 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 122.944 0.497 . . . . 72.35 111.54 -177.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.441 ' HG ' ' NE2' ' A' ' 26' ' ' GLN . 65.9 tp -64.09 -52.18 60.5 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.033 -0.729 . . . . 71.24 109.033 171.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -54.78 -37.82 66.5 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 124.168 0.987 . . . . 75.41 110.735 177.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.59 HD12 ' HA ' ' A' ' 21' ' ' LEU . 70.6 mt -68.42 -44.38 75.12 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.139 0.976 . . . . 72.35 111.19 177.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -65.98 -38.36 88.34 Favored 'General case' 0 N--CA 1.487 1.402 0 C-N-CA 123.298 0.639 . . . . 64.33 111.36 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.441 ' NE2' ' HG ' ' A' ' 22' ' ' LEU . 45.3 mt-30 -68.89 -33.1 73.21 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.587 0.755 . . . . 42.11 110.571 177.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.595 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -78.04 -14.21 59.59 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.885 0.874 . . . . 63.44 111.611 175.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 82.52 12.84 79.65 Favored Glycine 0 C--N 1.345 1.037 0 O-C-N 123.146 0.279 . . . . 54.44 113.25 -178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.595 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 25.6 mm-40 -77.5 86.79 3.85 Favored 'General case' 0 N--CA 1.465 0.316 0 C-N-CA 123.972 0.909 . . . . 74.22 109.54 175.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.9 m95 -76.06 -35.22 59.53 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 116.234 -0.439 . . . . 75.52 110.929 -175.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.57 -46.82 81.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.688 0.795 . . . . 74.44 109.888 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 24' ' ' LEU . 93.9 mt -68.97 -35.55 76.88 Favored 'General case' 0 CA--C 1.552 1.02 0 CA-C-N 114.877 -1.056 . . . . 70.35 111.092 178.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.554 HD12 ' HB2' ' A' ' 21' ' ' LEU . 61.8 tp -61.07 -49.54 76.93 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 123.751 0.82 . . . . 72.41 110.786 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.562 HD21 HD12 ' A' ' 443' ' ' LEU . 96.0 mt -68.87 -30.31 68.8 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.894 0.877 . . . . 73.54 111.402 -176.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -58.49 -44.73 89.5 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-O 121.199 0.523 . . . . 74.42 110.036 174.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -88.56 -11.58 45.21 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.243 -0.89 . . . . 73.23 112.387 -177.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -54.42 -54.53 39.49 Favored 'General case' 0 N--CA 1.487 1.377 0 C-N-CA 123.347 0.659 . . . . 74.12 111.165 176.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.6 m -62.73 -43.6 98.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.139 -0.937 . . . . 55.04 111.909 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.0 p -65.74 -45.07 84.0 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.187 0.595 . . . . 54.41 110.297 -178.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.535 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.8 t80 -63.22 -64.68 0.84 Allowed 'General case' 0 C--O 1.242 0.709 0 C-N-CA 124.71 1.204 . . . . 64.23 112.145 -178.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.9 mt -58.38 -43.53 88.54 Favored 'General case' 0 C--N 1.355 0.822 0 O-C-N 124.192 0.932 . . . . 62.52 111.058 -175.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.61 -41.22 98.85 Favored 'General case' 0 C--N 1.36 1.024 0 CA-C-O 119.344 -0.36 . . . . 41.23 110.923 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.9 m -59.07 -40.12 84.22 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 123.16 0.287 . . . . 71.1 111.482 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.588 HG23 HD21 ' A' ' 457' ' ' LEU . 68.0 mt -62.7 -50.0 81.51 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-O 121.75 0.786 . . . . 73.4 110.412 175.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.48 -35.77 81.55 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 114.879 -1.055 . . . . 74.32 111.577 -176.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 t -83.82 -28.23 28.21 Favored 'General case' 0 CA--C 1.55 0.946 0 N-CA-C 112.088 0.403 . . . . 75.41 112.088 -173.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.1 m -70.54 -29.15 37.32 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 CA-C-N 118.603 0.638 . . . . 73.12 109.603 169.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.3 mmt -83.22 -15.03 52.02 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.118 0.567 . . . . 73.42 112.523 175.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -67.78 -31.26 71.03 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.316 -0.624 . . . . 74.42 109.316 165.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -91.99 6.56 45.86 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.973 -1.012 . . . . 75.12 110.747 177.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 46.32 26.98 0.52 Allowed 'General case' 0 N--CA 1.495 1.787 0 C-N-CA 126.797 2.039 . . . . 73.52 113.862 175.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.492 HG23 ' HE1' ' A' ' 7' ' ' PHE . 53.0 m 56.51 95.74 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.285 0 C-N-CA 123.999 0.92 . . . . 74.3 110.366 -170.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.471 ' O ' HG12 ' A' ' 56' ' ' ILE . 12.1 Cg_endo -54.3 128.86 31.76 Favored 'Trans proline' 0 C--N 1.385 2.483 0 C-N-CA 122.844 2.363 . . . . 64.43 111.049 179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.37 -12.37 25.1 Favored 'Trans proline' 0 C--N 1.37 1.684 0 C-N-CA 122.343 2.028 . . . . 65.21 113.573 -173.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.71 68.03 3.45 Favored Glycine 0 C--N 1.355 1.622 0 N-CA-C 111.493 -0.643 . . . . 74.14 111.493 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 53' ' ' PRO . 47.5 mm -126.79 119.87 54.44 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 124.59 1.156 . . . . 64.31 108.663 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 10.1 t -74.53 165.1 25.76 Favored 'General case' 0 N--CA 1.474 0.769 0 N-CA-C 109.77 -0.455 . . . . 70.11 109.77 174.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.31 -20.48 65.62 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 122.884 0.474 . . . . 54.03 111.187 -173.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.3 t -70.68 -51.16 29.47 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 123.28 0.632 . . . . 55.12 110.622 176.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.533 HG23 HG12 ' A' ' 8' ' ' ILE . 83.3 mt -63.49 -42.25 95.56 Favored 'Isoleucine or valine' 0 C--N 1.355 0.81 0 C-N-CA 123.347 0.659 . . . . 70.33 109.73 176.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -56.52 -41.45 76.77 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.848 1.259 . . . . 74.01 111.38 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -63.28 -49.02 75.7 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.375 0.67 . . . . 72.11 110.788 178.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.439 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 51.5 mtm -57.45 -55.79 30.29 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.88 0.737 . . . . 72.34 110.719 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.61 HG23 ' SD ' ' A' ' 464' ' ' MET . 31.2 m -70.89 -31.29 45.01 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.595 0 CA-C-N 115.533 -0.758 . . . . 74.41 112.228 -172.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.55 -38.75 91.26 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 109.953 -0.388 . . . . 54.25 109.953 174.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.81 -41.13 99.91 Favored Glycine 0 C--N 1.355 1.625 0 CA-C-N 115.862 -0.608 . . . . 65.11 111.774 172.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.487 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.5 m-85 -66.34 -37.3 85.02 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.343 0.657 . . . . 74.14 111.548 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.572 HG13 ' O ' ' A' ' 64' ' ' VAL . 59.2 mt -71.1 -38.55 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 N-CA-C 109.332 -0.618 . . . . 64.33 109.332 179.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.0 tmmm? -58.08 -46.21 85.85 Favored 'General case' 0 CA--C 1.554 1.134 0 C-N-CA 123.572 0.749 . . . . 73.45 109.413 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -58.75 -54.98 41.01 Favored 'General case' 0 C--N 1.359 1.011 0 O-C-N 123.821 0.701 . . . . 71.21 110.302 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.468 HG22 ' HA ' ' A' ' 68' ' ' ILE . 4.6 t -65.22 -31.29 72.39 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 115.272 -0.876 . . . . 74.35 111.686 -170.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.3 mt -67.31 -48.15 68.44 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.073 0.549 . . . . 73.25 110.409 176.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -59.07 -52.99 63.36 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 123.649 0.78 . . . . 73.14 110.342 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -64.53 -44.32 91.21 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.97 -1.013 . . . . 35.04 111.166 -174.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.562 ' HA ' HD12 ' A' ' 78' ' ' LEU . 43.5 tt0 -70.17 -26.29 63.84 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.861 0.865 . . . . 62.32 112.11 -178.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -68.82 -42.4 77.31 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-O 121.136 0.493 . . . . 72.23 109.783 174.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 91.0 mt -67.88 -33.19 74.25 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.296 -0.865 . . . . 75.3 110.785 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 75' ' ' GLU . 95.7 mt -62.32 -49.35 75.96 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 122.901 0.48 . . . . 74.32 109.748 172.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.02 -50.67 66.13 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 123.866 0.866 . . . . 74.13 111.092 -176.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.29 -47.46 63.73 Favored Glycine 0 C--N 1.354 1.542 0 O-C-N 123.538 0.524 . . . . 55.44 113.754 179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' ' 26' ' ' GLN . 6.9 tt -64.86 -53.43 46.76 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.849 0.859 . . . . 63.04 110.139 -174.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.5 mt -65.31 -30.21 71.04 Favored 'General case' 0 C--O 1.216 -0.668 0 C-N-CA 123.432 0.693 . . . . 71.22 110.805 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -61.67 -41.81 98.07 Favored 'General case' 0 N--CA 1.488 1.444 0 C-N-CA 122.836 0.454 . . . . 71.31 110.519 175.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -62.11 -45.53 93.05 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 115.569 -0.741 . . . . 75.13 110.757 173.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 8.2 mmp_? -61.01 -46.79 89.33 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.316 0.646 . . . . 74.53 111.126 -178.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 77.5 mt -64.77 -37.4 87.48 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.933 0.893 . . . . 72.44 111.262 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -64.01 -42.17 97.23 Favored 'General case' 0 N--CA 1.478 0.937 0 O-C-N 123.92 0.762 . . . . 75.43 110.668 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 72.2 mt-10 -70.11 -45.76 66.25 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.069 -0.969 . . . . 71.5 110.696 179.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.96 -35.83 79.62 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.791 0.436 . . . . 64.34 110.794 176.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.1 t -64.93 -43.65 92.07 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 123.61 0.764 . . . . 73.04 110.308 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 p -69.14 -33.44 73.45 Favored 'General case' 0 C--N 1.353 0.753 0 O-C-N 123.244 0.34 . . . . 74.15 111.038 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.473 ' O ' HG22 ' A' ' 96' ' ' VAL . 94.9 mt -63.57 -62.21 1.81 Allowed 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 122.833 0.453 . . . . 74.44 109.985 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 69.7 mt -54.97 -46.46 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 124.585 1.154 . . . . 75.05 111.146 -178.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -56.83 -37.86 80.34 Favored Glycine 0 C--N 1.344 1.007 0 O-C-N 123.997 0.811 . . . . 75.22 113.972 -174.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -85.88 -41.62 14.81 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 122.941 0.496 . . . . 65.01 111.674 -176.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.491 HG23 HG22 ' A' ' 433' ' ' VAL . 30.4 m -81.67 -35.85 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.358 0 N-CA-C 112.181 0.437 . . . . 71.41 112.181 -173.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 99' ' ' GLN . 1.6 tt -75.98 115.14 15.39 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 107.994 -1.113 . . . . 74.45 107.994 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -86.12 92.11 8.63 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 108.389 -0.967 . . . . 75.44 108.389 175.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.484 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -114.34 -12.51 12.39 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 114.822 -1.081 . . . . 64.5 110.672 -178.143 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -158.87 -67.56 0.01 OUTLIER Glycine 0 C--N 1.343 0.937 0 N-CA-C 111.239 -0.744 . . . . 71.23 111.239 -177.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -87.86 170.41 6.26 Favored 'Trans proline' 0 C--N 1.377 2.053 0 C-N-CA 122.861 2.374 . . . . 61.34 113.123 179.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 19.1 m 66.55 25.81 9.98 Favored 'General case' 0 CA--C 1.554 1.126 0 C-N-CA 124.86 1.264 . . . . 55.32 113.401 168.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.513 ' HB3' ' HG3' ' A' ' 107' ' ' PRO . . . -139.03 152.02 47.26 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.718 0.807 . . . . 64.21 110.265 -179.27 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -76.35 -60.8 2.95 Favored Glycine 0 C--N 1.344 0.975 0 O-C-N 123.401 0.438 . . . . 75.54 112.242 -179.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.2 pp -73.68 169.07 18.07 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 123.589 0.756 . . . . 73.51 110.738 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 59.3 t -65.36 106.93 1.17 Allowed Pre-proline 0 C--N 1.357 0.908 0 N-CA-C 108.539 -0.912 . . . . 62.41 108.539 172.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.513 ' HG3' ' HB3' ' A' ' 103' ' ' ALA . 41.9 Cg_endo -96.51 16.57 0.74 Allowed 'Trans proline' 0 C--N 1.367 1.521 0 C-N-CA 122.93 2.42 . . . . 73.02 112.796 -173.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -69.27 86.56 0.41 Allowed 'General case' 0 C--N 1.36 1.036 0 CA-C-O 121.669 0.747 . . . . 63.13 109.02 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.98 86.22 0.14 Allowed Glycine 0 CA--C 1.506 -0.481 0 N-CA-C 109.683 -1.367 . . . . 45.01 109.683 -177.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 20.0 m -63.1 -16.68 60.77 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.096 0.959 . . . . 72.22 112.279 -177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -59.36 -35.21 84.06 Favored Glycine 0 C--N 1.355 1.626 0 O-C-N 123.396 0.435 . . . . 71.12 112.342 173.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 140.75 -160.73 26.64 Favored Glycine 0 C--N 1.352 1.468 0 O-C-N 123.83 0.371 . . . . 63.15 112.834 172.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.606 HG22 ' H ' ' A' ' 114' ' ' GLU . 1.1 mp -111.69 -159.25 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 N-CA-C 105.581 -2.007 . . . . 51.43 105.581 176.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.606 ' H ' HG22 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -129.61 157.56 41.74 Favored 'General case' 0 N--CA 1.483 1.176 0 CA-C-N 119.144 0.884 . . . . 72.21 109.767 165.067 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 96.46 -168.89 25.67 Favored Glycine 0 C--O 1.242 0.638 0 CA-C-N 115.996 -0.547 . . . . 52.35 111.771 -176.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 32.9 t -69.73 -27.99 65.42 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.567 0.747 . . . . 65.34 111.204 -179.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.465 ' O ' HG23 ' A' ' 433' ' ' VAL . 0.0 OUTLIER -58.55 -41.03 80.84 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.896 0 C-N-CA 123.936 0.894 . . . . 74.42 109.761 177.632 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.32 -46.88 84.61 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.425 0.69 . . . . 74.42 111.283 177.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.465 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 45.5 mt-10 -70.79 -35.51 72.58 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 115.332 -0.849 . . . . 73.25 111.749 -173.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.0 t -70.3 -38.66 75.04 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 110.168 -0.308 . . . . 65.31 110.168 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.491 HG22 HG23 ' A' ' 96' ' ' VAL . 76.7 t -59.34 -41.12 83.24 Favored 'Isoleucine or valine' 0 C--N 1.364 1.222 0 O-C-N 123.458 0.474 . . . . 54.45 110.13 171.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -62.18 -35.56 79.21 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.786 0.834 . . . . 40.15 111.096 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.473 ' O ' ' HG2' ' A' ' 439' ' ' GLN . 16.3 mmt180 -69.91 -47.03 64.08 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 110.107 -0.331 . . . . 72.44 110.107 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -61.65 -42.94 99.59 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 123.638 0.586 . . . . 71.41 111.438 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.5 tttm -73.34 -30.63 63.46 Favored 'General case' 0 N--CA 1.468 0.468 0 O-C-N 123.966 0.792 . . . . 73.34 110.542 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.0 -53.24 58.36 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 109.389 -0.597 . . . . 64.3 109.389 173.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.473 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 23.9 mm-40 -61.6 -38.01 86.03 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.618 -0.719 . . . . 51.23 110.246 179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -65.36 -63.37 1.12 Allowed 'General case' 0 C--N 1.35 0.628 0 CA-C-N 115.956 -0.566 . . . . 60.14 110.081 -177.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 76.9 m -61.05 -35.95 78.3 Favored 'General case' 0 CA--C 1.551 1.012 0 C-N-CA 124.38 1.072 . . . . 71.51 112.288 -172.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -70.01 -47.95 60.04 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.188 0.595 . . . . 74.44 111.523 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.562 HD12 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -72.06 -19.85 61.76 Favored 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 122.5 0.32 . . . . 74.53 111.36 176.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -76.58 -46.77 24.87 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.651 1.181 . . . . 63.44 110.39 -178.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.1 t -70.8 -33.88 71.18 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 109.765 -0.457 . . . . 73.21 109.765 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.49 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.2 ttt -59.49 -44.27 93.11 Favored 'General case' 0 C--N 1.359 0.997 0 C-N-CA 123.344 0.657 . . . . 63.32 110.167 173.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.56 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 26.8 ttm -65.5 -48.16 73.52 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.971 0.909 . . . . 73.24 112.511 -176.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 13.7 p -61.94 -39.26 91.5 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 123.6 0.562 . . . . 73.42 110.685 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -66.95 -45.18 78.55 Favored 'General case' 0 C--N 1.351 0.659 0 CA-C-N 115.771 -0.649 . . . . 73.4 111.143 174.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.56 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 3.1 pp -75.02 -17.8 60.45 Favored 'General case' 0 N--CA 1.485 1.321 0 CA-C-N 118.052 0.387 . . . . 72.41 111.71 -175.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -75.66 -45.24 38.18 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 109.005 -0.739 . . . . 64.4 109.005 173.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -59.02 -47.13 86.31 Favored 'General case' 0 C--O 1.254 1.338 0 C-N-CA 124.131 0.972 . . . . 75.24 110.55 175.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.467 ' HA ' ' CZ ' ' A' ' 456' ' ' TYR . 68.0 p -62.15 -57.17 12.53 Favored 'General case' 0 C--N 1.354 0.798 0 CA-C-N 115.329 -0.851 . . . . 64.44 110.009 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 63.0 p -50.27 -36.81 33.0 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.002 0.921 . . . . 53.01 112.337 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 42.5 m -56.68 -68.32 0.23 Allowed 'General case' 0 CA--C 1.551 1.012 0 O-C-N 123.988 0.805 . . . . 62.15 111.117 173.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . 0.467 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 4.9 p90 -71.82 -20.39 61.84 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 113.202 0.815 . . . . 75.4 113.202 -174.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.588 HD21 HG23 ' A' ' 44' ' ' ILE . 58.8 mt -71.25 -45.76 62.49 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.616 0.766 . . . . 71.53 110.486 178.137 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.3 t -70.11 -31.77 69.48 Favored 'General case' 0 C--N 1.352 0.685 0 O-C-N 123.487 0.492 . . . . 72.21 110.643 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -64.1 -50.79 66.9 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.236 0.614 . . . . 54.03 110.769 173.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -61.4 -33.98 74.59 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 114.771 -1.104 . . . . 72.23 110.426 178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -69.74 -41.41 75.3 Favored 'General case' 0 C--N 1.342 0.281 0 C-N-CA 123.852 0.861 . . . . 71.54 111.056 178.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 23.8 m -60.26 -43.92 95.75 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 123.493 0.496 . . . . 35.31 110.538 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -70.86 -50.02 39.82 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.909 -0.587 . . . . 62.23 111.435 178.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.61 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.3 ttm -63.16 -32.32 73.68 Favored 'General case' 0 N--CA 1.488 1.452 0 C-N-CA 123.498 0.719 . . . . 60.55 111.65 -175.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -81.21 -60.03 2.43 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-N 115.611 -0.722 . . . . 63.33 109.102 178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.2 77.0 1.51 Allowed 'General case' 0 N--CA 1.486 1.348 0 CA-C-O 121.506 0.67 . . . . 64.14 111.786 177.736 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 CA--C 1.561 1.385 0 C-N-CA 123.201 0.601 . . . . 70.11 111.388 165.446 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.7 ptt? . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 121.064 0.459 . . . . 65.42 109.799 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.7 p -58.49 -51.38 70.12 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.262 1.025 . . . . 75.21 111.91 -174.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -58.65 -45.55 89.08 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.408 1.083 . . . . 72.11 111.118 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.508 ' O ' HG13 ' A' ' 8' ' ' ILE . 13.8 m -72.9 -37.44 67.25 Favored 'General case' 0 CA--C 1.549 0.934 0 CA-C-N 115.226 -0.897 . . . . 45.03 111.761 -174.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.2 p -75.14 -41.19 44.64 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 117.871 0.305 . . . . 63.33 111.147 -176.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -66.91 -33.75 76.26 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 110.111 -0.329 . . . . 74.01 110.111 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.462 ' HB3' ' O ' ' A' ' 4' ' ' THR . 40.3 t80 -52.71 -53.84 42.01 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.337 1.055 . . . . 72.02 110.312 168.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.547 HG12 HG23 ' A' ' 60' ' ' ILE . 75.9 mt -55.81 -55.53 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.349 0 C-N-CA 123.911 0.884 . . . . 71.0 111.325 178.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.474 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 55.3 m-80 -56.92 -49.4 75.73 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 124.039 0.837 . . . . 73.24 111.653 -176.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.593 HH22 ' HG2' ' A' ' 50' ' ' LYS . 35.9 mtm180 -65.96 -42.8 89.46 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 123.752 0.657 . . . . 52.13 111.7 -174.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -63.44 -37.12 86.06 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-N 117.931 0.332 . . . . 64.15 111.148 176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -60.14 -43.39 95.75 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.476 0.485 . . . . 65.02 109.968 173.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 34.3 mmt-85 -58.84 -52.92 63.66 Favored 'General case' 0 C--N 1.361 1.097 0 N-CA-C 109.541 -0.54 . . . . 65.14 109.541 178.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 10' ' ' ARG . 85.0 mt -55.05 -39.33 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.147 0 C-N-CA 124.315 1.046 . . . . 64.25 111.308 -176.09 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.21 -45.55 63.1 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.414 0.685 . . . . 50.02 112.377 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 89.1 mt -67.47 -38.73 84.87 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.282 0.633 . . . . 71.21 110.484 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 96.8 mt -69.72 -49.5 52.64 Favored 'General case' 0 C--N 1.35 0.589 0 CA-C-N 115.232 -0.895 . . . . 75.44 109.605 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.425 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 77.2 p -55.02 -44.04 74.21 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.249 0.62 . . . . 71.04 111.292 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -62.81 -52.54 62.77 Favored 'General case' 0 C--N 1.352 0.684 0 O-C-N 123.974 0.796 . . . . 61.33 111.205 177.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.8 p -62.69 -46.05 89.96 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.405 0.441 . . . . 61.35 112.116 -173.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.564 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.4 pp -73.85 -26.15 60.44 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 122.623 0.369 . . . . 73.53 111.874 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.1 tp -62.41 -44.38 96.58 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-O 121.025 0.441 . . . . 75.3 110.111 173.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -61.65 -42.44 98.9 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 114.937 -1.029 . . . . 75.25 110.221 175.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 21' ' ' LEU . 72.6 mt -64.27 -35.53 81.15 Favored 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 123.416 0.687 . . . . 71.21 111.122 177.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.513 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -69.76 -49.83 49.26 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.69 0.796 . . . . 73.42 111.531 -177.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -70.97 -26.45 63.17 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.128 0.571 . . . . 71.41 111.115 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.7 mmm180 -73.84 -26.61 60.68 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 122.901 0.48 . . . . 74.22 111.104 173.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.47 3.26 55.4 Favored Glycine 0 C--N 1.35 1.324 0 O-C-N 123.356 0.41 . . . . 63.32 113.215 178.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.01 81.43 1.71 Allowed 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 123.708 0.803 . . . . 72.52 109.661 172.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 41.5 m95 -71.93 -34.81 69.34 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.442 -0.799 . . . . 72.51 110.698 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -61.68 -43.01 99.67 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.938 0.895 . . . . 72.22 110.38 -179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 79.6 mt -78.66 -31.2 46.65 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 114.845 -1.07 . . . . 74.42 110.73 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 21' ' ' LEU . 47.6 tp -60.5 -46.37 90.38 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.421 0.689 . . . . 71.31 110.335 172.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.621 HD21 HD12 ' A' ' 443' ' ' LEU . 85.8 mt -74.35 -26.71 60.3 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.229 1.012 . . . . 64.15 110.787 -177.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -61.02 -40.48 93.76 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 116.0 -0.545 . . . . 62.41 109.796 171.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.1 mm-40 -85.62 -22.94 27.74 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.511 -0.768 . . . . 73.13 111.83 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -51.88 -48.93 63.85 Favored 'General case' 0 N--CA 1.49 1.557 0 C-N-CA 124.315 1.046 . . . . 71.45 111.213 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 27.3 m -56.87 -52.56 53.58 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.84 0 O-C-N 124.176 0.923 . . . . 75.04 111.386 -175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 21.9 p -69.69 -39.08 77.16 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.656 0.782 . . . . 61.03 111.326 -176.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.425 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.9 t80 -65.7 -62.96 1.22 Allowed 'General case' 0 C--O 1.243 0.758 0 C-N-CA 124.442 1.097 . . . . 70.14 111.775 -174.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.0 -34.99 79.25 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.687 -0.688 . . . . 51.54 110.569 -178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -58.53 -43.78 89.35 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 122.688 0.395 . . . . 64.34 111.169 174.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.525 ' HA ' HG22 ' A' ' 46' ' ' THR . 73.1 m -66.29 -36.53 83.21 Favored 'General case' 0 CA--C 1.548 0.885 0 O-C-N 123.481 0.488 . . . . 73.13 111.684 -178.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.594 HG23 HD21 ' A' ' 457' ' ' LEU . 62.9 mt -66.27 -44.83 91.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 CA-C-O 121.944 0.878 . . . . 64.21 110.231 174.565 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -64.29 -36.04 82.82 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 114.884 -1.053 . . . . 73.21 111.196 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.525 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.5 t -81.83 -31.2 31.8 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-O 119.067 -0.492 . . . . 70.43 112.119 -175.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.0 m -67.01 -39.16 82.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 CA-C-N 118.895 0.771 . . . . 73.41 110.288 174.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.438 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 25.1 mmt -79.78 -25.45 40.96 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 116.289 -0.414 . . . . 71.22 111.985 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -72.95 -30.0 63.52 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 109.277 -0.638 . . . . 55.25 109.277 174.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HG2' HH22 ' A' ' 10' ' ' ARG . 50.0 tptt -73.88 -0.23 15.37 Favored 'General case' 0 CA--C 1.558 1.277 0 C-N-CA 123.978 0.911 . . . . 53.15 110.76 171.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 72.53 10.51 5.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 125.832 1.653 . . . . 73.03 111.245 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.427 ' HA ' ' HD2' ' A' ' 53' ' ' PRO . 58.2 m 51.99 94.12 0.05 OUTLIER Pre-proline 0 CA--C 1.555 1.149 0 C-N-CA 124.886 1.274 . . . . 70.41 110.521 -170.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 52' ' ' THR . 10.1 Cg_endo -50.28 120.32 6.1 Favored 'Trans proline' 0 C--N 1.381 2.243 0 C-N-CA 123.232 2.622 . . . . 74.43 111.926 -178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -80.92 -4.21 12.62 Favored 'Trans proline' 0 C--N 1.374 1.907 0 C-N-CA 123.124 2.549 . . . . 64.24 114.772 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.99 62.84 4.58 Favored Glycine 0 C--N 1.348 1.195 0 N-CA-C 112.184 -0.366 . . . . 64.44 112.184 179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 31.4 mm -120.47 123.25 70.08 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 124.546 1.139 . . . . 74.05 109.737 -169.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -76.12 167.52 21.71 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 122.708 0.403 . . . . 64.22 110.069 176.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.435 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -66.37 -28.15 68.43 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.111 0.564 . . . . 71.21 111.853 -171.65 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 26.7 m -69.94 -48.22 59.27 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.235 0.614 . . . . 64.3 110.685 -179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.547 HG23 HG12 ' A' ' 8' ' ' ILE . 99.1 mt -68.9 -40.48 81.18 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 CA-C-N 114.958 -1.019 . . . . 63.44 110.523 179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -61.81 -36.1 80.15 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.537 1.135 . . . . 73.52 110.846 179.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -72.2 -39.52 68.54 Favored 'General case' 0 CA--C 1.547 0.838 0 CA-C-N 115.604 -0.725 . . . . 52.22 110.64 177.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.434 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 53.3 mtm -57.72 -54.48 46.37 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.156 0.503 . . . . 75.14 110.241 176.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.637 HG23 ' SD ' ' A' ' 464' ' ' MET . 33.0 m -74.8 -25.41 18.8 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.046 0 CA-C-N 115.143 -0.935 . . . . 62.51 112.104 -173.375 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.85 85.41 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 109.56 -0.533 . . . . 61.0 109.56 170.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.7 -42.49 97.2 Favored Glycine 0 C--N 1.353 1.51 0 CA-C-N 115.711 -0.677 . . . . 72.11 112.312 171.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -67.79 -37.59 82.24 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.163 0.585 . . . . 64.11 111.921 -179.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 64' ' ' VAL . 73.5 mt -72.08 -38.89 64.78 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 108.898 -0.779 . . . . 71.32 108.898 178.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -59.15 -38.45 79.73 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 122.981 0.512 . . . . 72.12 110.755 174.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.7 mt-30 -63.5 -53.25 55.0 Favored 'General case' 0 C--N 1.355 0.847 0 O-C-N 123.407 0.442 . . . . 71.11 110.641 176.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.505 HG22 ' HA ' ' A' ' 68' ' ' ILE . 14.5 t -65.91 -30.91 71.58 Favored 'General case' 0 C--O 1.211 -0.966 0 O-C-N 123.589 0.555 . . . . 75.2 111.084 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 77.3 mt -67.68 -45.93 73.78 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.806 0.442 . . . . 73.14 111.272 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -60.6 -52.24 66.0 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 123.823 0.702 . . . . 74.31 110.151 179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -67.33 -41.67 84.87 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.304 -0.862 . . . . 62.31 111.287 -174.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.472 ' HA ' HD12 ' A' ' 78' ' ' LEU . 34.2 tt0 -77.88 -20.91 52.12 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.688 0.795 . . . . 55.25 111.478 -177.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -68.9 -40.38 79.16 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.382 0.673 . . . . 63.45 109.794 168.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.9 mt -72.8 -32.95 65.92 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 115.381 -0.827 . . . . 71.14 110.715 177.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 75' ' ' GLU . 90.6 mt -65.98 -38.43 88.53 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 122.998 0.519 . . . . 75.21 109.889 171.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -59.32 -58.22 9.57 Favored 'General case' 0 C--N 1.349 0.549 0 CA-C-N 116.091 -0.504 . . . . 73.02 110.069 -178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -61.49 -48.62 83.78 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 123.977 0.798 . . . . 73.31 113.201 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.68 -56.81 11.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.672 0.789 . . . . 74.14 110.534 -173.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 80.0 mt -66.52 -29.43 69.51 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 123.418 0.449 . . . . 73.33 111.445 -176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -65.24 -41.17 94.61 Favored 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 122.776 0.431 . . . . 72.4 110.941 175.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 28.5 mt-30 -64.28 -44.49 91.52 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 115.684 -0.689 . . . . 75.21 110.028 174.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 2.4 mmp_? -58.84 -47.18 85.76 Favored 'General case' 0 C--O 1.208 -1.107 0 O-C-N 123.971 0.794 . . . . 74.44 110.428 179.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.85 -35.93 82.7 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.51 0.724 . . . . 71.54 111.666 -177.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.07 -46.28 91.31 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-O 121.385 0.612 . . . . 72.52 110.397 176.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.451 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.6 mt-10 -65.83 -54.06 31.75 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 114.723 -1.126 . . . . 74.44 110.527 178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.482 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 90.3 mt -56.01 -43.05 77.36 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.3 1.04 . . . . 62.44 110.794 -177.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -59.9 -47.07 87.26 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.46 0.704 . . . . 74.04 110.86 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.507 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 21.3 t -63.5 -42.58 98.5 Favored 'General case' 0 CA--C 1.55 0.946 0 O-C-N 123.845 0.715 . . . . 72.44 110.667 178.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 95.9 mt -61.26 -47.96 83.63 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.032 0.933 . . . . 62.43 111.467 -178.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 81.1 mt -60.6 -41.01 86.39 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 C-N-CA 124.133 0.973 . . . . 74.12 109.805 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.18 -34.31 88.69 Favored Glycine 0 CA--C 1.535 1.284 0 CA-C-N 115.757 -0.656 . . . . 73.21 113.29 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' ' 91' ' ' SER . 12.6 mm100 -78.88 -35.35 43.82 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.113 0.565 . . . . 72.35 111.728 -176.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.9 m -95.8 -40.64 11.05 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 N-CA-C 112.306 0.484 . . . . 72.11 112.306 -173.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.0 tt -76.44 112.09 12.59 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 107.048 -1.464 . . . . 55.41 107.048 173.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 34.8 m-85 -74.01 99.66 3.36 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 108.057 -1.09 . . . . 75.41 108.057 172.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.19 -6.45 59.48 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 122.858 0.463 . . . . 73.21 111.809 -176.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.8 -74.86 0.07 OUTLIER Glycine 0 C--N 1.34 0.768 0 N-CA-C 110.431 -1.068 . . . . 70.21 110.431 179.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -61.96 154.29 62.76 Favored 'Trans proline' 0 C--N 1.371 1.713 0 C-N-CA 123.166 2.577 . . . . 71.35 112.861 176.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 15.7 m 67.89 15.12 9.54 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.394 1.478 . . . . 72.15 112.485 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -113.5 131.72 55.95 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.696 0.799 . . . . 73.13 109.574 174.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.89 -27.31 73.31 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.241 0.338 . . . . 71.41 113.638 -179.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pp -126.24 175.12 8.03 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.008 0.923 . . . . 75.02 109.661 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.7 t -66.07 112.81 9.94 Favored Pre-proline 0 CA--C 1.547 0.843 0 N-CA-C 108.508 -0.923 . . . . 43.51 108.508 172.152 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -89.31 38.14 0.41 Allowed 'Trans proline' 0 C--N 1.365 1.402 0 C-N-CA 123.227 2.618 . . . . 64.31 112.627 -171.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -80.12 75.12 6.9 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 109.162 -0.681 . . . . 75.43 109.162 177.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -127.05 51.28 0.85 Allowed Glycine 0 C--N 1.343 0.923 0 N-CA-C 110.831 -0.907 . . . . 64.32 110.831 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 11.8 m -71.54 98.54 1.88 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.825 0.85 . . . . 71.13 110.37 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 145.1 -19.92 1.93 Allowed Glycine 0 C--N 1.339 0.704 0 CA-C-N 115.651 -0.704 . . . . 62.42 111.711 -176.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 169.06 125.1 0.77 Allowed Glycine 0 C--N 1.351 1.374 0 N-CA-C 112.374 -0.291 . . . . 52.22 112.374 175.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.5 mp -97.34 169.0 1.52 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.421 0 N-CA-C 107.255 -1.387 . . . . 63.42 107.255 173.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.99 134.54 41.69 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.307 -0.627 . . . . 74.32 109.307 172.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 108.86 -177.08 20.29 Favored Glycine 0 N--CA 1.472 1.05 0 CA-C-N 116.207 -0.451 . . . . 53.15 112.918 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 32.9 t -68.26 -22.91 64.73 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 124.304 1.042 . . . . 35.44 111.698 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.19 -38.24 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.777 0.831 . . . . 53.33 110.568 174.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -59.17 -48.82 80.18 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.798 0.839 . . . . 64.4 111.162 177.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.475 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.2 mt-10 -63.16 -52.6 61.79 Favored 'General case' 0 C--N 1.348 0.524 0 O-C-N 124.07 0.856 . . . . 74.52 111.247 -176.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 15.1 t -65.2 -42.23 93.74 Favored 'General case' 0 CA--C 1.544 0.722 0 O-C-N 123.303 0.377 . . . . 74.54 111.338 -174.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 49.2 t -60.19 -43.35 93.01 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.866 0 N-CA-C 109.643 -0.503 . . . . 50.01 109.643 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -60.81 -33.57 73.2 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.669 0.605 . . . . 35.41 112.133 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.475 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 21.3 mmt180 -73.68 -54.43 8.12 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 122.615 0.366 . . . . 73.31 110.499 -179.571 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -66.02 -32.36 73.78 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 115.914 -0.584 . . . . 75.02 111.667 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 50.5 tttm -78.57 -37.88 41.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.866 0.866 . . . . 61.21 110.844 -178.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -59.91 -53.89 52.58 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.56 -0.533 . . . . 74.25 109.56 173.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -62.83 -33.63 75.63 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 115.927 -0.578 . . . . 72.12 111.246 179.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -62.09 -61.13 2.69 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 110.062 -0.347 . . . . 72.45 110.062 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 46.2 m -61.19 -35.73 77.97 Favored 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 123.929 0.892 . . . . 72.52 112.4 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.6 mt-30 -71.09 -47.84 55.9 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.585 0.754 . . . . 75.34 111.474 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.621 HD12 HD21 ' A' ' 34' ' ' LEU . 10.9 mp -70.85 -19.29 62.66 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.648 0.379 . . . . 64.5 111.042 174.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -81.22 -44.71 17.39 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.68 0.792 . . . . 72.22 111.253 -178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 8.9 t -66.72 -35.35 79.9 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.898 -0.779 . . . . 44.11 108.898 173.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.597 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.2 ttt -62.54 -42.44 99.53 Favored 'General case' 0 C--N 1.36 1.059 0 O-C-N 123.5 0.5 . . . . 72.51 110.285 172.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.46 -53.52 57.19 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 124.195 0.998 . . . . 54.11 112.068 -177.167 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 23.7 p -65.29 -40.95 94.52 Favored 'General case' 0 C--O 1.244 0.789 0 CA-C-N 115.372 -0.831 . . . . 53.12 110.986 -177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -66.48 -44.54 82.4 Favored 'General case' 0 C--O 1.216 -0.673 0 CA-C-N 115.607 -0.724 . . . . 75.42 111.147 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.597 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -72.4 -25.82 61.63 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-O 120.692 0.282 . . . . 74.52 110.604 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 55.1 t30 -67.95 -50.53 55.37 Favored 'General case' 0 C--O 1.244 0.813 0 C-N-CA 123.601 0.761 . . . . 64.44 109.72 174.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -63.49 -43.62 96.72 Favored 'General case' 0 N--CA 1.479 1.011 0 CA-C-N 115.207 -0.906 . . . . 63.32 110.954 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.532 ' HB ' HG21 ' A' ' 44' ' ' ILE . 37.3 p -61.12 -62.86 1.54 Allowed 'General case' 0 C--N 1.348 0.52 0 CA-C-N 116.022 -0.535 . . . . 65.25 110.0 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 81.1 p -52.87 -32.25 43.86 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.665 0.786 . . . . 64.24 112.225 -179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.3 t -60.1 -59.7 5.0 Favored 'General case' 0 CA--C 1.552 1.02 0 O-C-N 123.592 0.557 . . . . 63.44 111.234 176.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . 0.44 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 2.6 p90 -73.51 -20.91 60.54 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 112.312 0.486 . . . . 74.5 112.312 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.594 HD21 HG23 ' A' ' 44' ' ' ILE . 73.9 mt -68.59 -41.25 79.89 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.093 0.557 . . . . 54.21 110.578 175.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.5 t -77.3 -28.0 53.14 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 123.014 0.196 . . . . 73.13 111.313 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.11 -53.22 60.36 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-O 121.647 0.737 . . . . 73.51 109.659 168.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -62.86 -34.56 77.62 Favored 'General case' 0 C--N 1.349 0.575 0 CA-C-N 114.122 -1.399 . . . . 70.21 111.074 179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -67.41 -50.85 57.74 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 123.303 0.641 . . . . 74.21 111.062 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 25.6 m -62.7 -33.97 76.2 Favored 'General case' 0 CA--C 1.546 0.797 0 O-C-N 123.736 0.647 . . . . 73.2 110.664 -178.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -70.59 -47.25 61.1 Favored 'General case' 0 CA--C 1.55 0.952 0 C-N-CA 123.26 0.624 . . . . 64.04 111.518 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.637 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.2 ttm -70.63 -27.73 64.28 Favored 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 124.035 0.934 . . . . 43.12 111.179 -174.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 45.7 t-20 -85.07 -60.81 1.93 Allowed 'General case' 0 CA--C 1.545 0.75 0 N-CA-C 108.512 -0.921 . . . . 74.24 108.512 178.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.21 78.53 1.65 Allowed 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 122.828 0.451 . . . . 71.34 111.783 176.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.1 m . . . . . 0 C--O 1.253 1.27 0 C-N-CA 123.58 0.752 . . . . 74.32 111.401 163.467 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.818 -0.438 . . . . 71.54 109.818 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.5 p -62.89 -49.92 72.93 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 124.27 1.028 . . . . 72.24 112.402 -171.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.4 m -65.43 -38.47 89.98 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.558 0.743 . . . . 74.11 111.283 -178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.479 ' O ' HG13 ' A' ' 8' ' ' ILE . 46.3 m -73.68 -37.26 65.28 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 115.219 -0.9 . . . . 74.3 111.49 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -72.8 -41.32 61.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 CA-C-N 117.928 0.331 . . . . 60.31 111.007 -177.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.78 -34.62 78.77 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 109.987 -0.375 . . . . 72.15 109.987 176.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' A' ' 4' ' ' THR . 69.9 t80 -57.2 -55.16 38.31 Favored 'General case' 0 CA--C 1.558 1.263 0 C-N-CA 123.912 0.885 . . . . 72.11 110.955 172.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.509 HG12 HG23 ' A' ' 60' ' ' ILE . 82.0 mt -54.94 -60.33 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 C-N-CA 124.236 1.014 . . . . 54.31 111.185 -177.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.452 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 38.7 m-80 -60.2 -49.24 78.41 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.774 -1.103 . . . . 74.1 111.846 -174.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.444 ' O ' HG13 ' A' ' 14' ' ' ILE . 84.1 mtm180 -68.0 -35.75 78.85 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-O 118.451 -0.785 . . . . 74.15 112.353 -173.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.0 m95 -63.13 -40.42 97.55 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 118.582 0.628 . . . . 75.4 110.898 174.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -59.83 -41.96 92.52 Favored 'General case' 0 C--N 1.352 0.692 0 O-C-N 123.589 0.556 . . . . 74.24 110.501 174.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.452 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 23.3 mmt180 -61.98 -48.55 79.85 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.703 0.627 . . . . 75.54 110.334 179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.4 mt -55.0 -42.19 62.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.254 0 C-N-CA 124.468 1.107 . . . . 72.34 110.759 -179.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.512 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -69.15 -42.16 76.32 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 123.983 0.913 . . . . 71.42 112.131 -178.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.52 -39.89 85.08 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 123.235 0.614 . . . . 64.13 110.373 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.431 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 93.3 mt -66.04 -50.5 63.97 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.866 0.866 . . . . 70.33 109.774 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.515 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 52.7 p -56.41 -44.82 80.7 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 124.579 1.174 . . . . 55.53 111.186 -177.144 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -62.55 -51.06 68.86 Favored 'General case' 0 N--CA 1.476 0.843 0 O-C-N 123.98 0.8 . . . . 72.32 111.243 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 46.1 m -59.31 -51.61 69.21 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.79 0.682 . . . . 73.45 111.595 -176.332 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.548 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.5 pp -74.69 -19.59 60.2 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 123.067 0.547 . . . . 73.35 111.876 -177.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.1 tp -63.52 -47.18 82.72 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 109.295 -0.631 . . . . 60.4 109.295 170.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -65.58 -34.58 78.57 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 115.07 -0.968 . . . . 74.11 110.534 178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -69.97 -44.43 69.49 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 123.731 0.812 . . . . 73.21 111.418 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.548 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -61.31 -41.92 97.8 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 123.681 0.792 . . . . 74.35 110.237 178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -68.87 -33.77 74.33 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.752 -1.113 . . . . 74.5 111.076 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.628 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -79.47 -8.51 59.18 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.714 0.806 . . . . 70.33 111.333 178.452 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.83 9.54 86.19 Favored Glycine 0 C--N 1.349 1.265 0 O-C-N 123.181 0.3 . . . . 63.24 112.904 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.628 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 10.9 mm-40 -77.0 80.71 3.53 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 108.296 -1.002 . . . . 45.32 108.296 176.228 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 20.9 m95 -72.22 -40.3 67.9 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.213 0.605 . . . . 64.53 111.094 -176.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -63.46 -41.16 98.62 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.649 0.593 . . . . 64.5 110.391 178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 80.2 mt -74.59 -33.34 62.62 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.39 -0.823 . . . . 64.34 111.064 178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.548 HD12 ' HB2' ' A' ' 21' ' ' LEU . 49.9 tp -60.59 -50.59 72.91 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.85 0.86 . . . . 74.34 110.126 174.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.462 HD21 HD12 ' A' ' 443' ' ' LEU . 78.7 mt -72.38 -26.34 61.85 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.429 1.092 . . . . 73.21 111.369 -176.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -61.01 -40.97 95.6 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.085 0.954 . . . . 51.11 109.986 172.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 73.7 mm-40 -88.94 -23.53 22.66 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 115.657 -0.702 . . . . 74.44 111.69 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -49.48 -57.89 6.19 Favored 'General case' 0 N--CA 1.492 1.671 0 C-N-CA 125.109 1.364 . . . . 73.25 111.487 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.0 m -57.45 -45.18 85.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 O-C-N 124.708 1.255 . . . . 73.32 110.751 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.5 m -60.64 -45.83 92.61 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.982 0.913 . . . . 50.51 110.34 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.6 t80 -69.93 -64.43 0.89 Allowed 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 125.13 1.372 . . . . 74.31 111.962 -171.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -58.85 -39.44 81.29 Favored 'General case' 0 N--CA 1.475 0.803 0 O-C-N 124.123 0.89 . . . . 74.4 111.02 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -65.62 -40.07 92.17 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.593 0.357 . . . . 61.31 111.316 178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 65.2 m -60.63 -39.8 89.61 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.524 0.515 . . . . 74.11 111.394 176.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.668 HG23 HD21 ' A' ' 457' ' ' LEU . 69.6 mt -63.4 -48.91 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.982 0 CA-C-O 121.163 0.506 . . . . 73.1 110.406 176.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -59.13 -42.3 90.28 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.079 -0.964 . . . . 61.35 111.515 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.4 t -77.45 -35.58 53.77 Favored 'General case' 0 CA--C 1.552 1.041 0 N-CA-C 112.21 0.448 . . . . 73.45 112.21 -173.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.96 -30.03 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 CA-C-N 118.446 0.566 . . . . 74.23 110.545 175.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.547 ' HE2' HD23 ' A' ' 457' ' ' LEU . 23.0 mmt -85.61 -19.75 30.54 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 123.165 0.586 . . . . 64.23 112.117 176.169 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -72.98 -28.01 62.14 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.086 -0.709 . . . . 74.25 109.086 172.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -68.71 -15.47 63.53 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 114.739 -1.119 . . . . 74.23 110.844 172.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 54.0 tp60 70.78 9.35 6.81 Favored 'General case' 0 N--CA 1.487 1.412 0 C-N-CA 125.285 1.434 . . . . 74.12 111.143 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.413 HG23 ' CE1' ' A' ' 7' ' ' PHE . 83.3 m 65.07 109.32 0.03 OUTLIER Pre-proline 0 CA--C 1.562 1.41 0 C-N-CA 124.601 1.16 . . . . 73.24 110.648 -172.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.532 ' HG2' HD11 ' A' ' 56' ' ' ILE . 19.7 Cg_endo -56.22 132.63 53.07 Favored 'Trans proline' 0 C--N 1.381 2.28 0 C-N-CA 122.877 2.385 . . . . 72.01 112.458 -179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 41.9 Cg_exo -60.77 -27.32 84.62 Favored 'Trans proline' 0 C--N 1.378 2.085 0 C-N-CA 123.117 2.545 . . . . 71.12 114.202 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -85.71 60.54 4.66 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.462 -0.336 . . . . 24.11 113.439 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.532 HD11 ' HG2' ' A' ' 53' ' ' PRO . 39.8 mm -114.38 113.59 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.825 0.85 . . . . 63.01 108.854 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 11.3 t -74.27 169.85 16.78 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 122.971 0.508 . . . . 73.54 110.094 177.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.6 ppt_? -66.27 -25.82 67.05 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.141 0.576 . . . . 70.42 111.652 -171.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 t -75.65 -44.69 41.21 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.365 0.666 . . . . 74.14 110.887 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 8' ' ' ILE . 95.6 mt -67.31 -43.9 87.67 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 123.584 0.754 . . . . 75.11 109.641 176.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -54.64 -40.29 68.85 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.163 1.385 . . . . 54.05 111.237 173.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -67.38 -48.12 68.35 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 123.8 0.84 . . . . 73.44 110.987 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.422 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 59.1 mtm -58.36 -53.59 56.54 Favored 'General case' 0 N--CA 1.482 1.156 0 O-C-N 123.587 0.554 . . . . 73.51 110.32 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.515 ' O ' HG13 ' A' ' 68' ' ' ILE . 20.4 m -71.3 -25.89 25.96 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.146 0 CA-C-N 115.029 -0.987 . . . . 63.34 111.742 -175.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.27 87.05 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.65 0.659 . . . . 61.33 109.778 174.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.429 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.65 -44.36 97.64 Favored Glycine 0 C--N 1.351 1.364 0 O-C-N 123.911 0.757 . . . . 72.25 111.737 170.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -67.52 -32.28 72.96 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.722 0.809 . . . . 72.32 112.257 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.563 ' HA ' HG22 ' A' ' 71' ' ' THR . 86.8 mt -75.43 -37.34 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 N-CA-C 108.909 -0.775 . . . . 74.13 108.909 178.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -64.24 -33.01 74.82 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 122.375 0.27 . . . . 73.25 110.443 175.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.512 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 28.3 mt-30 -69.08 -51.91 33.87 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.092 0.557 . . . . 62.21 110.768 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.563 HG22 ' HA ' ' A' ' 68' ' ' ILE . 14.0 t -64.01 -35.35 80.43 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.441 0.463 . . . . 55.13 110.775 -175.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.72 -44.24 74.28 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.443 0.697 . . . . 41.01 111.421 176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -59.76 -54.77 42.42 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.933 0.77 . . . . 64.1 110.56 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.408 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 9.4 m120 -68.14 -38.59 82.34 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.239 -0.892 . . . . 70.15 110.847 -173.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.542 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.1 tt0 -75.66 -25.15 56.54 Favored 'General case' 0 N--CA 1.48 1.063 0 C-N-CA 123.702 0.801 . . . . 61.52 111.869 -178.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -69.79 -40.62 75.89 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 109.348 -0.612 . . . . 54.44 109.348 170.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.42 -33.33 72.82 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 115.665 -0.698 . . . . 72.14 110.472 176.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 75' ' ' GLU . 92.3 mt -67.0 -37.58 84.46 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.563 0.745 . . . . 54.1 110.16 172.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -59.25 -54.02 51.6 Favored 'General case' 0 C--N 1.346 0.456 0 O-C-N 123.704 0.628 . . . . 74.43 109.968 -178.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -63.31 -47.77 84.89 Favored Glycine 0 C--N 1.348 1.22 0 O-C-N 123.829 0.706 . . . . 62.2 112.784 177.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.2 -59.9 4.6 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 124.482 1.113 . . . . 62.35 110.469 -174.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 75.9 mt -67.57 -28.12 67.51 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 123.482 0.713 . . . . 73.52 111.29 -175.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -61.72 -44.89 96.05 Favored 'General case' 0 N--CA 1.488 1.434 0 CA-C-N 118.318 0.508 . . . . 72.43 110.523 174.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -58.96 -46.41 88.11 Favored 'General case' 0 N--CA 1.479 0.986 0 O-C-N 123.884 0.74 . . . . 64.53 110.386 176.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.429 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.4 mmp_? -60.04 -50.0 75.43 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 124.328 1.017 . . . . 54.22 110.895 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.53 -35.04 78.18 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.296 1.039 . . . . 72.25 111.852 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -62.27 -48.05 81.62 Favored 'General case' 0 CA--C 1.541 0.606 0 O-C-N 123.869 0.731 . . . . 63.01 109.559 178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.49 -45.57 79.18 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.83 0.852 . . . . 65.31 111.372 -179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.446 ' O ' HG13 ' A' ' 93' ' ' ILE . 97.5 mt -60.32 -52.28 65.94 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.914 0.759 . . . . 70.52 109.883 -179.574 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.0 t -59.2 -39.13 81.66 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.118 0.967 . . . . 71.1 111.722 178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.5 t -63.83 -33.26 75.28 Favored 'General case' 0 CA--C 1.544 0.726 0 O-C-N 123.648 0.592 . . . . 72.2 110.814 179.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 91.9 mt -84.56 -30.88 24.7 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.939 0.895 . . . . 71.32 111.898 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 89' ' ' LEU . 96.9 mt -66.94 -52.58 42.68 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.402 0.681 . . . . 51.34 110.159 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -58.8 -25.4 58.95 Favored Glycine 0 C--N 1.35 1.332 0 O-C-N 123.843 0.714 . . . . 52.12 113.946 -175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -70.37 -53.44 16.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 123.158 0.583 . . . . 61.31 110.516 176.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.566 HG23 HG22 ' A' ' 433' ' ' VAL . 26.9 m -83.55 -21.86 8.6 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.74 0.816 . . . . 75.04 112.495 -171.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.8 tt -96.21 112.24 24.04 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.369 -1.345 . . . . 73.23 107.369 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.635 ' HB3' ' HB2' ' A' ' 103' ' ' ALA . 67.5 m-85 -96.58 88.38 4.65 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.632 0.773 . . . . 75.3 109.261 -178.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.61 2.36 41.85 Favored 'General case' 0 N--CA 1.482 1.16 0 CA-C-N 115.846 -0.615 . . . . 70.31 111.93 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 177.12 -74.54 0.07 OUTLIER Glycine 0 C--N 1.348 1.225 0 CA-C-O 119.63 -0.539 . . . . 74.22 112.097 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -70.39 152.43 66.07 Favored 'Trans proline' 0 C--N 1.378 2.103 0 C-N-CA 122.714 2.276 . . . . 74.03 112.017 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.8 m 63.12 26.03 15.16 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.509 1.124 . . . . 74.51 111.596 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.635 ' HB2' ' HB3' ' A' ' 98' ' ' PHE . . . -122.5 117.98 27.21 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 124.292 1.037 . . . . 62.25 110.042 -176.217 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.45 -64.24 2.93 Favored Glycine 0 C--N 1.347 1.191 0 N-CA-C 110.623 -0.991 . . . . 51.34 110.623 171.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 pp -80.79 153.41 27.75 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 108.135 -1.061 . . . . 72.42 108.135 163.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.3 t -100.83 103.96 28.28 Favored Pre-proline 0 CA--C 1.548 0.867 0 N-CA-C 109.267 -0.642 . . . . 64.43 109.267 178.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -96.04 36.07 0.14 Allowed 'Trans proline' 0 C--N 1.373 1.828 0 C-N-CA 123.489 2.792 . . . . 74.12 112.26 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -72.4 -15.61 61.84 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.596 0.758 . . . . 62.11 110.917 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.07 107.94 1.12 Allowed Glycine 0 C--N 1.355 1.614 0 N-CA-C 111.559 -0.616 . . . . 53.22 111.559 175.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.3 m -58.35 99.98 0.05 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.537 1.135 . . . . 75.22 112.019 -172.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 169.97 -89.88 0.09 OUTLIER Glycine 0 C--N 1.344 1.02 0 CA-C-N 115.774 -0.648 . . . . 41.31 111.709 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -141.73 144.14 13.94 Favored Glycine 0 C--N 1.349 1.272 0 C-N-CA 122.837 0.256 . . . . 34.12 112.879 -173.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.453 HG21 HD12 ' A' ' 429' ' ' ILE . 3.8 mp -97.17 169.52 1.44 Allowed 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 C-N-CA 124.808 1.243 . . . . 74.1 108.186 177.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -89.56 137.16 32.57 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.612 0.765 . . . . 73.31 110.321 170.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.04 -172.15 25.29 Favored Glycine 0 N--CA 1.483 1.803 0 N-CA-C 113.907 0.323 . . . . 65.01 113.907 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 32.4 t -70.71 -22.28 62.46 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.883 0.873 . . . . 64.03 111.626 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.453 HD12 HG21 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -58.3 -36.61 58.9 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.373 1.069 . . . . 63.12 109.939 174.84 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -57.02 -44.89 83.32 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.147 0.579 . . . . 70.21 111.196 175.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.6 mt-10 -63.91 -56.34 15.99 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 124.096 0.873 . . . . 73.0 110.409 -176.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.9 t -60.82 -40.42 92.67 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 123.698 0.623 . . . . 65.14 111.604 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.566 HG22 HG23 ' A' ' 96' ' ' VAL . 55.7 t -60.39 -49.78 82.91 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.026 0 N-CA-C 109.029 -0.73 . . . . 53.44 109.029 174.152 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.91 -29.07 69.99 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 123.893 0.877 . . . . 61.23 112.346 -175.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 29.1 mmt180 -68.39 -57.08 6.43 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 109.486 -0.561 . . . . 73.04 109.486 178.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 60.3 m-85 -70.1 -25.57 63.57 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 115.602 -0.726 . . . . 74.55 111.627 -178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -72.12 -45.78 59.22 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.057 0.943 . . . . 72.11 109.714 179.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.55 -52.92 59.01 Favored 'General case' 0 C--N 1.348 0.54 0 O-C-N 123.802 0.689 . . . . 51.24 109.7 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -55.47 -41.33 72.81 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 124.061 0.851 . . . . 64.11 111.459 179.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -63.44 -63.89 1.05 Allowed 'General case' 0 C--O 1.213 -0.863 0 CA-C-O 118.899 -0.572 . . . . 74.14 109.935 176.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 44.1 m -55.35 -34.71 64.51 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.387 1.075 . . . . 64.5 112.374 -173.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -70.58 -50.78 33.73 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.79 0.836 . . . . 74.24 111.432 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.462 HD12 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -74.0 -18.47 60.85 Favored 'General case' 0 CA--C 1.558 1.254 0 C-N-CA 122.636 0.374 . . . . 73.25 111.009 177.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -81.23 -44.24 18.06 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.593 1.157 . . . . 75.24 110.527 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.7 t -67.65 -32.95 73.99 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 109.341 -0.614 . . . . 72.4 109.341 172.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.493 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.7 ttt -62.5 -44.08 97.24 Favored 'General case' 0 C--N 1.361 1.091 0 N-CA-C 109.756 -0.461 . . . . 44.33 109.756 171.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 36.7 tpp -60.47 -50.28 74.2 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.397 1.079 . . . . 74.1 112.037 -176.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 8.6 p -66.58 -40.68 89.07 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 115.479 -0.782 . . . . 71.34 111.304 -178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 48.9 mtpt -71.57 -36.22 70.85 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 119.068 -0.491 . . . . 72.35 111.425 178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.493 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -73.75 -23.93 59.81 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 120.798 0.332 . . . . 45.11 110.16 -178.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -68.4 -53.14 25.75 Favored 'General case' 0 C--N 1.349 0.586 0 C-N-CA 123.335 0.654 . . . . 62.43 109.541 172.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -56.17 -47.02 79.08 Favored 'General case' 0 C--O 1.256 1.431 0 C-N-CA 124.518 1.127 . . . . 61.11 111.253 179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.48 ' HB ' HG21 ' A' ' 44' ' ' ILE . 34.0 p -62.13 -61.26 2.59 Favored 'General case' 0 C--N 1.35 0.627 0 CA-C-N 115.016 -0.993 . . . . 72.3 109.962 -177.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.1 p -53.19 -29.53 32.44 Favored 'General case' 0 N--CA 1.489 1.515 0 C-N-CA 123.463 0.705 . . . . 71.03 112.843 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 71.2 m -59.83 -62.44 1.87 Allowed 'General case' 0 C--O 1.247 0.962 0 C-N-CA 122.919 0.488 . . . . 74.02 110.554 174.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . 0.521 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 3.7 p90 -73.86 -21.2 60.19 Favored 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 112.551 0.575 . . . . 65.35 112.551 -178.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.668 HD21 HG23 ' A' ' 44' ' ' ILE . 66.6 mt -69.47 -42.41 74.89 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.568 0.747 . . . . 73.23 110.621 177.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 3.7 t -75.8 -33.18 60.12 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 123.542 0.526 . . . . 64.4 110.692 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -62.76 -42.96 99.92 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 123.443 0.464 . . . . 72.51 110.306 171.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -62.79 -40.37 97.13 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.145 -0.934 . . . . 71.4 110.393 175.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -64.48 -40.34 95.49 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.147 0.579 . . . . 71.14 110.37 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 57.7 m -63.81 -45.21 90.66 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.417 0.687 . . . . 72.32 110.603 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.66 -50.74 23.05 Favored 'General case' 0 N--CA 1.482 1.17 0 CA-C-O 121.052 0.453 . . . . 74.42 111.814 -179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.469 ' SD ' HG23 ' A' ' 64' ' ' VAL . 59.0 ttm -63.47 -33.02 74.64 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.834 0.854 . . . . 72.43 111.513 -174.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -89.18 -56.45 3.27 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 122.637 0.375 . . . . 61.33 110.046 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.4 78.53 1.78 Allowed 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 112.316 0.487 . . . . 65.45 112.316 174.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 CA--C 1.56 1.339 0 O-C-N 121.578 -0.702 . . . . 64.05 110.708 167.266 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.2 ptt? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 121.012 0.434 . . . . 74.53 109.936 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 80.5 p -66.16 -42.09 89.45 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.76 0.824 . . . . 61.54 112.199 -171.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.2 m -68.54 -35.79 77.93 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 123.218 0.607 . . . . 61.54 110.994 -176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.423 ' O ' HG13 ' A' ' 8' ' ' ILE . 76.1 m -73.38 -41.93 62.78 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.844 -0.616 . . . . 64.41 111.331 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 p -71.39 -38.07 67.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 117.827 0.285 . . . . 74.54 110.988 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -67.54 -37.86 83.34 Favored 'General case' 0 C--N 1.36 1.04 0 N-CA-C 109.57 -0.53 . . . . 72.53 109.57 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.473 ' HZ ' ' HE1' ' A' ' 464' ' ' MET . 60.9 t80 -53.55 -55.49 25.11 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 124.112 0.965 . . . . 73.13 110.547 172.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.472 HG12 HG23 ' A' ' 60' ' ' ILE . 92.4 mt -55.72 -57.98 6.26 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.257 0 C-N-CA 124.136 0.974 . . . . 65.25 111.463 -179.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 88.6 m-20 -57.08 -46.6 82.39 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 124.606 1.191 . . . . 74.42 111.737 -172.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.471 ' O ' HG13 ' A' ' 14' ' ' ILE . 62.3 mtm180 -74.76 -32.04 61.96 Favored 'General case' 0 C--O 1.215 -0.754 0 CA-C-O 118.41 -0.805 . . . . 71.45 111.663 -174.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.2 m95 -64.68 -37.79 88.79 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 118.542 0.61 . . . . 74.24 110.64 171.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -60.44 -44.48 95.78 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 123.69 0.618 . . . . 54.13 109.779 173.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 44.3 mmt-85 -58.89 -49.85 76.23 Favored 'General case' 0 C--N 1.359 1.02 0 O-C-N 123.578 0.549 . . . . 63.1 109.883 175.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.9 mt -55.58 -44.69 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 124.137 0.975 . . . . 65.14 111.164 -175.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.418 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -74.59 -47.35 32.88 Favored 'General case' 0 C--O 1.247 0.921 0 C-N-CA 123.619 0.768 . . . . 64.45 112.62 -175.426 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 78.5 mt -71.99 -38.82 69.62 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 116.308 -0.405 . . . . 74.33 110.439 -176.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.458 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.7 mt -69.78 -40.4 76.06 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-O 118.404 -0.808 . . . . 63.42 110.663 178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.5 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 70.3 p -59.6 -43.78 93.61 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.521 0.513 . . . . 74.54 110.545 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -63.03 -43.26 99.18 Favored 'General case' 0 CA--C 1.55 0.958 0 O-C-N 123.89 0.744 . . . . 42.52 110.704 177.064 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.8 m -63.16 -52.59 61.79 Favored 'General case' 0 CA--C 1.548 0.878 0 C-N-CA 123.377 0.671 . . . . 64.03 112.02 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.595 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.0 pp -71.4 -22.34 61.88 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 122.847 0.459 . . . . 74.3 111.433 -177.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.7 tp -64.86 -44.9 88.21 Favored 'General case' 0 C--N 1.35 0.623 0 C-N-CA 122.762 0.425 . . . . 72.33 110.16 172.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -57.64 -45.65 85.19 Favored 'General case' 0 N--CA 1.48 1.039 0 O-C-N 124.021 0.826 . . . . 74.22 110.092 173.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD13 ' HB3' ' A' ' 32' ' ' LEU . 55.5 mt -64.82 -32.49 74.21 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.847 0.859 . . . . 75.22 111.7 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -72.5 -46.43 54.72 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.658 0.783 . . . . 61.22 110.813 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -76.44 -17.6 59.24 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.053 0.541 . . . . 74.43 111.855 -177.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 mtp85 -85.81 -26.54 25.67 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 122.807 0.443 . . . . 65.33 110.065 169.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.52 1.66 50.18 Favored Glycine 0 C--N 1.344 1.025 0 CA-C-O 118.927 -0.93 . . . . 75.05 114.684 174.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -68.54 88.43 0.34 Allowed 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 118.477 1.138 . . . . 74.32 109.985 173.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -68.5 -36.87 79.5 Favored 'General case' 0 C--O 1.213 -0.86 0 C-N-CA 123.054 0.541 . . . . 75.44 110.173 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -56.56 -46.85 80.49 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.463 0.705 . . . . 74.02 111.062 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.559 ' HB3' HD13 ' A' ' 24' ' ' LEU . 85.5 mt -75.62 -35.59 60.45 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.736 -0.665 . . . . 62.34 111.167 -178.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.595 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.4 tp -57.56 -46.18 84.27 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 123.786 0.835 . . . . 74.54 110.432 173.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.43 HD21 HD12 ' A' ' 443' ' ' LEU . 78.9 mt -77.38 -25.17 50.67 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.217 1.007 . . . . 71.15 111.36 -177.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -65.0 -39.58 93.67 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.256 0.55 . . . . 73.32 109.579 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -87.58 -19.0 28.42 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 115.415 -0.811 . . . . 73.23 111.63 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.3 -59.92 3.27 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 124.044 0.937 . . . . 64.45 111.339 176.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.8 m -59.19 -42.7 87.67 Favored 'Isoleucine or valine' 0 C--N 1.35 0.589 0 CA-C-N 114.777 -1.102 . . . . 53.33 111.243 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 12.6 m -61.09 -47.05 88.09 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.84 0.856 . . . . 71.11 110.479 179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.5 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 26.5 t80 -69.62 -61.32 1.83 Allowed 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 125.52 1.528 . . . . 74.11 111.869 -172.185 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -59.24 -40.53 86.23 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 124.028 0.83 . . . . 75.45 110.951 -178.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -62.91 -40.92 99.07 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.428 0.455 . . . . 72.44 111.587 178.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 66.6 m -60.64 -41.09 94.24 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 123.411 0.444 . . . . 53.32 111.226 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.485 HG23 HD21 ' A' ' 457' ' ' LEU . 58.5 mt -63.89 -44.46 98.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.174 0 CA-C-O 121.44 0.638 . . . . 75.41 110.08 175.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -57.51 -47.55 81.65 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 114.795 -1.093 . . . . 75.03 111.323 179.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -77.36 -30.35 53.79 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.478 0.547 . . . . 72.55 112.478 -171.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.28 -31.68 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.394 0 CA-C-N 118.682 0.674 . . . . 62.33 110.241 172.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.413 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 25.4 mmt -82.78 -24.94 33.21 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 112.622 0.601 . . . . 74.21 112.622 176.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -72.17 -29.33 63.91 Favored 'General case' 0 N--CA 1.491 1.58 0 C-N-CA 122.912 0.485 . . . . 61.15 110.047 171.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -88.47 18.51 4.47 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 123.905 0.882 . . . . 71.24 110.419 168.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 48.89 14.89 0.08 Allowed 'General case' 0 N--CA 1.494 1.739 0 C-N-CA 127.152 2.181 . . . . 65.34 115.792 169.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.468 HG23 ' HE1' ' A' ' 7' ' ' PHE . 98.7 m 56.86 94.04 0.05 OUTLIER Pre-proline 0 CA--C 1.561 1.385 0 C-N-CA 123.789 0.835 . . . . 74.41 109.971 -168.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.461 ' O ' HG12 ' A' ' 56' ' ' ILE . 16.9 Cg_endo -55.67 136.83 76.11 Favored 'Trans proline' 0 C--N 1.385 2.464 0 C-N-CA 122.8 2.334 . . . . 71.04 111.822 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 11.9 Cg_exo -73.56 -9.6 22.93 Favored 'Trans proline' 0 C--N 1.375 1.971 0 C-N-CA 122.672 2.248 . . . . 63.44 113.393 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -82.92 58.54 5.03 Favored Glycine 0 C--N 1.35 1.341 0 N-CA-C 112.09 -0.404 . . . . 62.54 112.09 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.461 HG12 ' O ' ' A' ' 53' ' ' PRO . 45.1 mm -123.43 115.43 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 124.694 1.198 . . . . 72.22 108.675 -177.714 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -74.95 174.29 9.49 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.027 0.531 . . . . 75.35 110.293 178.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -28.63 67.72 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 122.679 0.392 . . . . 75.4 111.211 -175.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 15.5 m -70.32 -47.75 59.67 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.543 0.737 . . . . 71.42 110.531 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.538 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 93.6 mt -67.41 -39.0 81.78 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 115.098 -0.955 . . . . 71.51 109.842 178.047 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -60.07 -40.74 90.56 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.973 0.909 . . . . 75.31 111.091 175.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -61.27 -50.25 73.79 Favored 'General case' 0 N--CA 1.477 0.888 0 O-C-N 123.612 0.57 . . . . 74.44 110.187 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.538 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 49.6 mtm -55.08 -54.37 44.01 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 124.258 0.974 . . . . 75.15 110.46 179.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.5 m -75.32 -28.09 20.01 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.878 0 CA-C-O 118.624 -0.703 . . . . 72.22 112.551 -171.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.34 82.32 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 109.3 -0.629 . . . . 70.13 109.3 174.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -65.99 -36.92 92.68 Favored Glycine 0 C--N 1.347 1.152 0 CA-C-N 115.541 -0.754 . . . . 65.12 112.108 171.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.462 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 21.5 m-85 -68.67 -36.53 78.65 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.169 0.588 . . . . 55.3 111.399 178.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 64' ' ' VAL . 52.3 mt -71.99 -38.87 65.51 Favored 'Isoleucine or valine' 0 C--N 1.357 0.9 0 N-CA-C 108.898 -0.778 . . . . 73.33 108.898 178.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -55.7 -48.6 74.84 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.335 0.654 . . . . 74.23 110.622 174.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.418 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 26.2 mt-30 -61.36 -50.83 71.32 Favored 'General case' 0 C--N 1.354 0.779 0 CA-C-N 115.33 -0.85 . . . . 54.51 111.021 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.496 HG22 ' HA ' ' A' ' 68' ' ' ILE . 7.5 t -63.53 -40.17 96.34 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 123.584 0.553 . . . . 71.13 110.823 -174.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.38 -42.06 98.83 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.429 0.692 . . . . 70.11 111.109 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -61.67 -56.92 14.56 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.785 0.678 . . . . 73.12 110.421 177.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -66.01 -38.56 88.78 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 115.508 -0.769 . . . . 63.11 111.792 -173.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.461 ' HA ' HD12 ' A' ' 78' ' ' LEU . 37.0 tt0 -77.27 -27.7 53.23 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.112 0.965 . . . . 73.51 111.463 -176.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -66.22 -41.06 90.65 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.123 0.569 . . . . 65.44 109.814 169.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 96.9 mt -68.3 -32.53 72.73 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 115.445 -0.798 . . . . 73.21 110.941 177.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.0 mt -64.63 -45.86 85.04 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.946 0.498 . . . . 55.12 110.004 172.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -53.34 -52.49 59.04 Favored 'General case' 0 CA--C 1.543 0.695 0 O-C-N 123.974 0.796 . . . . 71.24 110.451 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.423 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -66.51 -49.31 57.06 Favored Glycine 0 C--N 1.351 1.416 0 O-C-N 123.941 0.776 . . . . 55.42 113.496 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.5 tt -59.99 -55.97 27.47 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.464 1.105 . . . . 62.12 110.369 -176.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.438 HD22 HD23 ' A' ' 443' ' ' LEU . 62.6 mt -68.02 -27.03 66.2 Favored 'General case' 0 C--O 1.212 -0.901 0 CA-C-N 115.236 -0.893 . . . . 62.13 110.581 -177.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -61.08 -44.13 97.83 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 122.65 0.38 . . . . 73.14 110.244 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.423 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 22.1 mt-30 -58.79 -51.48 69.82 Favored 'General case' 0 N--CA 1.473 0.692 0 O-C-N 124.212 0.945 . . . . 55.12 109.557 176.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -59.98 -44.65 94.35 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 114.948 -1.024 . . . . 71.43 111.899 -177.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.543 HD21 ' HB2' ' A' ' 443' ' ' LEU . 73.7 mt -73.04 -31.3 64.34 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 123.517 0.727 . . . . 62.03 111.646 -177.338 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.06 -40.93 95.45 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.685 0.615 . . . . 75.12 109.377 175.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 34.5 mt-10 -69.51 -47.05 65.05 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.159 0.912 . . . . 75.23 110.89 177.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.441 ' O ' HG13 ' A' ' 93' ' ' ILE . 89.8 mt -59.23 -49.54 77.44 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.186 0.594 . . . . 74.25 110.004 178.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.7 t -60.52 -38.14 83.44 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.66 0.784 . . . . 55.33 111.303 177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.8 t -63.24 -33.11 74.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.018 0.527 . . . . 62.34 110.864 178.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 85.9 mt -73.47 -49.14 28.32 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 123.15 0.58 . . . . 65.54 109.628 175.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 89' ' ' LEU . 89.2 mt -58.71 -41.53 82.64 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 C-N-CA 124.476 1.11 . . . . 74.33 111.79 -174.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.29 -23.55 71.7 Favored Glycine 0 CA--C 1.532 1.094 0 C-N-CA 121.906 -0.188 . . . . 52.41 113.427 -179.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -100.03 -29.84 12.31 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 123.272 0.629 . . . . 73.34 112.002 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.504 HG23 HG22 ' A' ' 433' ' ' VAL . 23.4 m -97.08 -32.41 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 C-N-CA 122.846 0.458 . . . . 74.53 111.21 -175.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.5 tt -95.51 111.62 23.49 Favored 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 106.312 -1.736 . . . . 71.23 106.312 172.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -85.12 96.04 9.32 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 106.843 -1.54 . . . . 71.23 106.843 171.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -9.9 59.66 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.243 0.617 . . . . 74.3 112.456 -172.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -166.45 -75.94 0.03 OUTLIER Glycine 0 C--N 1.342 0.893 0 CA-C-O 119.478 -0.623 . . . . 45.31 111.862 -178.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 71.3 Cg_endo -80.28 -174.66 2.34 Favored 'Trans proline' 0 C--N 1.377 2.029 0 C-N-CA 122.858 2.372 . . . . 61.42 112.754 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 34.4 m 67.17 34.57 4.92 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.469 1.107 . . . . 71.34 111.655 175.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -157.59 144.1 17.88 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.803 0.841 . . . . 73.11 110.26 178.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -91.07 22.93 26.64 Favored Glycine 0 C--N 1.344 1.014 0 CA-C-N 116.155 -0.475 . . . . 73.43 112.546 174.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 pp -148.85 -176.82 5.48 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.987 1.315 . . . . 75.33 108.917 175.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 64.6 t -83.75 100.77 1.07 Allowed Pre-proline 0 CA--C 1.552 1.053 0 N-CA-C 108.77 -0.826 . . . . 72.32 108.77 173.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -92.97 0.92 3.65 Favored 'Trans proline' 0 C--N 1.368 1.587 0 C-N-CA 122.857 2.371 . . . . 73.23 113.132 -172.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.3 ttp180 -79.21 81.74 5.44 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.343 1.057 . . . . 72.14 109.236 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -93.84 49.59 2.26 Favored Glycine 0 C--N 1.343 0.933 0 CA-C-N 115.412 -0.813 . . . . 44.44 112.023 -179.325 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 16.9 m -69.41 92.93 0.62 Allowed 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 123.506 0.722 . . . . 61.54 110.58 -178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 146.45 -38.7 1.14 Allowed Glycine 0 C--N 1.341 0.806 0 CA-C-N 115.648 -0.706 . . . . 70.52 111.62 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 177.07 115.11 0.42 Allowed Glycine 0 C--N 1.346 1.084 0 N-CA-C 112.146 -0.382 . . . . 41.01 112.146 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.428 HG21 HD12 ' A' ' 429' ' ' ILE . 2.9 mp -98.03 169.15 1.55 Allowed 'Isoleucine or valine' 0 CA--C 1.559 1.327 0 N-CA-C 107.666 -1.235 . . . . 60.51 107.666 172.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.28 151.53 25.34 Favored 'General case' 0 N--CA 1.483 1.181 0 O-C-N 121.598 -0.689 . . . . 55.02 109.435 170.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.05 -178.38 35.93 Favored Glycine 0 N--CA 1.471 1.027 0 CA-C-N 116.691 -0.231 . . . . 70.34 112.565 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 29.6 t -71.42 -21.86 61.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.315 0.646 . . . . 73.23 111.499 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.428 HD12 HG21 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -54.69 -45.32 72.83 Favored 'Isoleucine or valine' 0 C--N 1.358 0.955 0 C-N-CA 123.827 0.851 . . . . 71.04 110.222 174.27 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.63 -46.49 70.51 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 123.421 0.689 . . . . 64.42 110.967 178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -70.59 -50.07 41.15 Favored 'General case' 0 CA--C 1.536 0.409 0 CA-C-N 114.736 -1.12 . . . . 65.54 111.34 -172.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.3 t -68.58 -40.44 80.52 Favored 'General case' 0 N--CA 1.474 0.76 0 O-C-N 123.487 0.492 . . . . 61.31 111.455 -175.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.504 HG22 HG23 ' A' ' 96' ' ' VAL . 55.5 t -66.7 -38.24 81.16 Favored 'Isoleucine or valine' 0 C--N 1.349 0.551 0 C-N-CA 123.314 0.646 . . . . 71.32 109.716 177.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -67.73 -29.08 68.23 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.091 0.556 . . . . 64.41 111.228 177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . . . . . . . . . 35.1 mmt180 -72.0 -45.06 62.32 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 122.671 0.388 . . . . 71.14 110.368 175.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -64.73 -39.63 93.97 Favored 'General case' 0 N--CA 1.477 0.908 0 O-C-N 123.469 0.48 . . . . 75.31 110.649 177.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -67.87 -39.99 83.63 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.944 1.297 . . . . 50.51 110.511 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -66.36 -57.18 8.01 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.966 0.507 . . . . 42.35 110.645 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -61.24 -34.54 75.3 Favored 'General case' 0 N--CA 1.475 0.808 0 O-C-N 123.936 0.773 . . . . 75.21 110.673 -178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -62.17 -64.99 0.76 Allowed 'General case' 0 C--N 1.36 1.042 0 N-CA-C 109.233 -0.654 . . . . 61.33 109.233 176.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 34.3 m -58.76 -34.32 71.28 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.31 1.044 . . . . 61.24 112.401 -171.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.05 -58.05 7.07 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.537 0.735 . . . . 72.53 111.334 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.543 ' HB2' HD21 ' A' ' 86' ' ' LEU . 7.9 mp -70.57 -18.73 62.91 Favored 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 123.12 0.568 . . . . 72.01 110.825 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -76.37 -53.35 8.28 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.145 1.378 . . . . 74.13 110.835 -178.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.0 t -67.06 -30.82 70.98 Favored 'General case' 0 C--N 1.353 0.739 0 O-C-N 123.511 0.507 . . . . 73.32 109.69 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.662 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.4 ttt -59.96 -47.98 83.57 Favored 'General case' 0 C--N 1.358 0.97 0 O-C-N 123.865 0.728 . . . . 63.5 109.396 173.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.6 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 47.3 ttm -64.06 -46.97 81.98 Favored 'General case' 0 C--N 1.354 0.798 0 O-C-N 124.285 0.991 . . . . 75.0 112.152 -175.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 7.8 p -63.71 -37.12 86.16 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 123.557 0.536 . . . . 54.13 111.201 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -71.82 -40.95 68.75 Favored 'General case' 0 C--N 1.35 0.597 0 CA-C-O 119.241 -0.409 . . . . 72.42 111.231 175.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.662 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -77.46 -21.28 53.15 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-N 117.941 0.337 . . . . 74.14 111.135 -175.348 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -82.35 -38.25 24.5 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.095 -0.706 . . . . 74.21 109.095 176.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 26.1 t30 -57.61 -50.06 74.39 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.891 0.876 . . . . 63.53 109.787 172.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.409 ' HB ' HG21 ' A' ' 44' ' ' ILE . 41.6 p -63.54 -61.61 2.21 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 115.063 -0.971 . . . . 75.32 109.763 -178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 77.6 p -51.27 -32.02 23.21 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 123.497 0.719 . . . . 62.43 112.824 -177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 23.3 t -63.14 -62.24 1.84 Allowed 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 122.898 0.479 . . . . 72.13 110.574 175.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 1.7 p90 -70.9 -20.74 62.47 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 112.067 0.395 . . . . 65.25 112.067 -177.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.485 HD21 HG23 ' A' ' 44' ' ' ILE . 65.2 mt -71.92 -43.46 65.28 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 123.776 0.83 . . . . 71.33 110.549 177.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.5 t -72.08 -33.34 67.82 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 123.303 0.377 . . . . 62.33 110.673 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -62.4 -50.2 72.47 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-O 121.048 0.452 . . . . 74.43 110.113 171.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 16.0 tm0? -64.47 -36.33 83.82 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.189 -0.914 . . . . 75.05 110.076 -177.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . 0.516 ' HB2' HG21 ' A' ' 68' ' ' ILE . 40.9 t80 -65.0 -45.21 86.53 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.674 0.79 . . . . 74.32 110.482 178.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 52.0 m -59.94 -38.37 82.22 Favored 'General case' 0 CA--C 1.541 0.601 0 O-C-N 124.121 0.888 . . . . 54.4 110.136 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.17 -51.19 18.77 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 122.864 0.466 . . . . 55.21 111.724 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.473 ' HE1' ' HZ ' ' A' ' 7' ' ' PHE . 51.1 ttm -60.33 -34.73 74.24 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 123.915 0.886 . . . . 71.44 110.783 -174.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -86.6 -67.71 0.79 Allowed 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 115.158 -0.928 . . . . 74.15 109.06 -178.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.35 78.0 1.69 Allowed 'General case' 0 N--CA 1.493 1.695 0 CA-C-N 118.069 0.395 . . . . 74.31 112.026 175.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 17.6 t . . . . . 0 C--O 1.255 1.348 0 CA-C-O 118.965 -0.54 . . . . 51.31 111.233 171.813 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.5 ptt? . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 121.264 0.555 . . . . 71.01 109.922 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 38.5 p -56.89 -52.01 66.85 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.589 0.756 . . . . 50.44 112.105 -174.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 m -64.7 -41.14 96.23 Favored 'General case' 0 CA--C 1.551 0.999 0 C-N-CA 123.84 0.856 . . . . 74.51 111.809 -176.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.494 ' O ' HG13 ' A' ' 8' ' ' ILE . 33.4 m -74.54 -36.63 63.13 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-N 115.538 -0.755 . . . . 70.41 111.385 -176.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.4 p -76.95 -39.22 29.55 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.93 0 CA-C-O 119.501 -0.285 . . . . 71.15 110.516 -175.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -63.99 -36.04 82.68 Favored 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 109.425 -0.583 . . . . 60.21 109.425 175.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' HA ' ' HE2' ' A' ' 50' ' ' LYS . 63.0 t80 -55.63 -57.71 10.82 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 124.501 1.12 . . . . 75.13 111.448 172.59 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.494 HG13 ' O ' ' A' ' 4' ' ' THR . 66.1 mt -57.28 -58.19 6.99 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 123.952 0.901 . . . . 73.34 110.746 -177.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.494 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 82.3 m-20 -52.93 -53.45 49.34 Favored 'General case' 0 C--N 1.356 0.877 0 O-C-N 125.144 1.527 . . . . 72.2 111.592 -174.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.498 HH21 ' HD3' ' A' ' 50' ' ' LYS . 87.3 mtm180 -73.07 -36.21 66.8 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 118.415 -0.802 . . . . 72.44 112.846 -171.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 22.1 m95 -62.42 -40.88 97.99 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-N 118.769 0.713 . . . . 74.2 110.37 172.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.0 tt0 -59.08 -43.82 91.83 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.235 1.014 . . . . 70.41 110.047 176.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 78.9 mmt-85 -62.48 -44.55 96.11 Favored 'General case' 0 C--N 1.357 0.933 0 O-C-N 123.868 0.73 . . . . 72.43 111.009 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 10' ' ' ARG . 75.7 mt -60.87 -41.78 90.09 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 O-C-N 124.052 0.845 . . . . 73.33 111.24 -177.113 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.55 -44.75 89.8 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.051 0.54 . . . . 70.24 111.523 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.32 -43.65 94.02 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 115.404 -0.816 . . . . 75.44 110.922 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.436 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 86.1 mt -67.31 -49.16 65.26 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.7 0.8 . . . . 63.21 110.463 -176.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.401 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 57.8 p -58.38 -46.27 86.65 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 124.243 0.964 . . . . 73.33 111.289 -178.287 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -61.27 -44.2 97.63 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 124.193 0.933 . . . . 75.02 111.01 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.416 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.5 m -61.2 -54.23 46.85 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 123.887 0.742 . . . . 72.33 111.266 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.544 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -72.86 -19.02 61.38 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 123.098 0.559 . . . . 73.3 111.977 -175.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 74' ' ' ASN . 61.4 tp -68.94 -44.97 71.94 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.545 -0.539 . . . . 74.14 109.545 171.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -58.1 -38.81 77.16 Favored 'General case' 0 N--CA 1.479 0.994 0 O-C-N 124.109 0.881 . . . . 42.25 110.142 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' ' 21' ' ' LEU . 59.1 mt -68.1 -43.88 77.48 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 115.403 -0.817 . . . . 70.34 111.112 176.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -66.53 -40.08 88.95 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 123.568 0.747 . . . . 64.41 111.41 -175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -75.6 -29.61 59.3 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 123.349 0.405 . . . . 75.31 110.504 178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.605 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.2 OUTLIER -71.81 -22.73 61.52 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.54 0.736 . . . . 71.3 111.666 173.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.51 10.53 65.39 Favored Glycine 0 C--N 1.343 0.969 0 O-C-N 123.246 0.341 . . . . 60.11 112.85 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.605 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 17.6 mm-40 -75.48 82.07 2.53 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.724 0.81 . . . . 60.42 109.229 175.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.52 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 7.5 m95 -70.51 -44.26 67.94 Favored 'General case' 0 C--O 1.215 -0.729 0 C-N-CA 122.778 0.431 . . . . 70.45 110.462 -177.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.44 -48.83 68.45 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.947 0.899 . . . . 70.24 111.417 178.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 77.4 mt -67.76 -38.11 83.01 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.186 -0.915 . . . . 44.12 110.643 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.544 HD12 ' HB2' ' A' ' 21' ' ' LEU . 54.8 tp -61.24 -37.78 84.3 Favored 'General case' 0 N--CA 1.484 1.229 0 C-N-CA 124.387 1.075 . . . . 71.45 111.078 175.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 30' ' ' TRP . 83.2 mt -72.59 -33.71 66.91 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 124.218 1.007 . . . . 61.34 111.334 -178.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -61.67 -40.39 94.78 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.495 0.664 . . . . 71.3 109.88 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -82.48 -19.43 38.84 Favored 'General case' 0 CA--C 1.544 0.75 0 CA-C-N 114.522 -1.217 . . . . 72.32 111.729 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -53.58 -62.12 1.86 Allowed 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 124.193 0.997 . . . . 75.43 111.353 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.2 m -61.5 -41.27 89.42 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.741 0 CA-C-N 115.018 -0.992 . . . . 75.14 112.039 -174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 30.4 p -70.08 -52.42 24.05 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.536 0.734 . . . . 71.43 110.684 -175.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.401 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 36.3 t80 -60.27 -50.88 71.87 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.466 1.106 . . . . 71.12 111.969 -176.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.498 HD13 ' HD3' ' A' ' 449' ' ' LYS . 96.0 mt -61.92 -42.55 99.22 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 123.694 0.622 . . . . 74.51 110.459 179.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.97 -36.63 77.54 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.195 0.598 . . . . 73.1 111.394 176.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.4 m -62.78 -37.54 87.08 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.313 0.645 . . . . 61.15 110.394 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.5 ' HA ' HG22 ' A' ' 47' ' ' VAL . 46.1 mt -72.12 -38.24 62.36 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.273 0 CA-C-N 115.651 -0.704 . . . . 73.05 110.866 176.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -57.93 -43.67 86.42 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.675 0.39 . . . . 75.35 111.256 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.409 HG23 ' HD2' ' A' ' 10' ' ' ARG . 13.9 t -78.33 -25.73 46.56 Favored 'General case' 0 CA--C 1.549 0.922 0 O-C-N 123.186 0.304 . . . . 74.35 111.554 -174.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 44' ' ' ILE . 32.6 m -78.38 -18.58 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.698 -0.626 . . . . 72.12 111.385 170.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 38.1 mmt -86.1 -21.31 27.72 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 122.776 0.43 . . . . 74.13 111.104 171.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -73.27 -31.63 64.19 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 122.883 0.473 . . . . 55.23 110.231 175.491 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.498 ' HD3' HH21 ' A' ' 10' ' ' ARG . 16.2 pttp -85.65 -19.55 30.77 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 122.705 0.402 . . . . 70.21 110.745 172.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 60.81 -89.46 0.03 OUTLIER 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 124.868 1.267 . . . . 65.13 109.286 -167.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.6 m -174.57 106.54 0.28 Allowed Pre-proline 0 CA--C 1.547 0.847 0 C-N-CA 126.087 1.755 . . . . 62.43 106.963 178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.437 ' O ' HG12 ' A' ' 56' ' ' ILE . 51.2 Cg_exo -58.76 139.92 92.81 Favored 'Trans proline' 0 C--N 1.374 1.92 0 C-N-CA 122.71 2.273 . . . . 74.3 112.73 175.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.09 -28.25 87.29 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 122.97 2.447 . . . . 73.01 113.924 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -80.45 66.76 3.62 Favored Glycine 0 C--N 1.348 1.244 0 O-C-N 122.987 0.18 . . . . 53.51 113.531 -178.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 53' ' ' PRO . 48.6 mm -126.01 120.5 57.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 124.49 1.116 . . . . 73.04 108.023 177.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -77.29 174.47 10.74 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 122.644 0.378 . . . . 73.44 111.133 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HD2' ' H ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -66.13 -34.27 77.66 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.343 1.057 . . . . 65.3 112.323 -174.242 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.49 ' H ' ' HD2' ' A' ' 58' ' ' ARG . 49.9 m -72.09 -44.8 62.67 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 122.864 0.466 . . . . 72.11 110.758 -178.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.485 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 94.8 mt -67.91 -40.0 82.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.044 0.938 . . . . 75.24 110.259 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -61.5 -38.22 86.53 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.233 1.013 . . . . 70.33 110.48 176.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -64.08 -51.27 64.86 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.268 0.627 . . . . 74.4 111.184 175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.485 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 44.6 mtm -55.87 -53.06 61.36 Favored 'General case' 0 N--CA 1.485 1.292 0 O-C-N 123.823 0.702 . . . . 75.5 110.513 -177.339 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 68' ' ' ILE . 31.9 m -71.27 -31.27 43.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 CA-C-N 115.311 -0.859 . . . . 72.45 112.086 -173.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.04 85.79 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.164 0.438 . . . . 55.45 109.916 173.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -63.7 -42.43 98.66 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.767 -0.651 . . . . 63.44 111.752 172.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 22.4 m-85 -65.36 -39.6 92.53 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.556 0.742 . . . . 73.43 111.848 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 64' ' ' VAL . 72.9 mt -72.03 -39.9 66.67 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 109.333 -0.618 . . . . 62.53 109.333 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 32.0 ttpt -61.8 -40.49 95.41 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.327 0.251 . . . . 70.31 110.434 178.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -59.47 -53.17 61.25 Favored 'General case' 0 C--N 1.358 0.954 0 O-C-N 124.028 0.83 . . . . 72.11 110.081 176.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 1.6 t -67.26 -30.09 69.89 Favored 'General case' 0 C--O 1.214 -0.784 0 O-C-N 124.274 0.984 . . . . 71.13 111.386 -172.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.73 -46.24 72.74 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.455 0.702 . . . . 75.14 110.722 175.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.2 -46.94 78.7 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 124.195 0.934 . . . . 75.11 110.496 -177.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.429 ' HA ' HD22 ' A' ' 22' ' ' LEU . 13.6 m120 -62.88 -46.45 87.81 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.526 0.73 . . . . 74.25 110.52 179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.572 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.1 tt0 -72.83 -22.61 60.77 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.25 1.02 . . . . 71.43 111.939 -176.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -68.14 -45.35 73.81 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 123.454 0.702 . . . . 53.14 109.612 170.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 79.0 mt -69.33 -27.39 65.32 Favored 'General case' 0 CA--C 1.548 0.869 0 CA-C-N 115.731 -0.668 . . . . 71.41 110.946 179.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 75' ' ' GLU . 91.0 mt -66.71 -47.35 72.62 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 123.146 0.579 . . . . 71.12 109.736 170.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -53.63 -49.28 68.22 Favored 'General case' 0 C--N 1.352 0.706 0 O-C-N 124.133 0.896 . . . . 75.3 110.537 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.443 ' O ' ' HG3' ' A' ' 84' ' ' GLN . . . -65.65 -59.35 7.77 Favored Glycine 0 C--N 1.347 1.19 0 O-C-N 123.307 0.379 . . . . 75.15 113.071 179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.0 tt -59.85 -50.08 75.17 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 124.18 0.992 . . . . 63.25 111.239 -172.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.412 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 68.9 mt -72.05 -27.9 63.0 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-O 118.656 -0.688 . . . . 55.01 111.377 -177.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -64.71 -37.02 86.16 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-N 118.489 0.586 . . . . 75.53 110.463 174.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.443 ' HG3' ' O ' ' A' ' 80' ' ' GLY . 22.5 mt-30 -61.68 -49.34 76.91 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 124.076 0.86 . . . . 72.34 109.212 174.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -54.43 -46.11 73.17 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.443 1.089 . . . . 72.41 111.53 177.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 83.7 mt -65.66 -39.2 91.1 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 123.948 0.78 . . . . 74.54 111.398 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -64.25 -42.07 96.67 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.357 0.663 . . . . 63.1 110.33 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 38.2 mt-10 -65.83 -55.05 19.12 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-N 115.044 -0.98 . . . . 54.14 110.588 179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.71 -33.31 75.66 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.763 0.825 . . . . 65.12 111.739 -177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.3 t -64.83 -42.42 94.97 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.285 0.634 . . . . 63.32 110.067 176.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.484 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 28.0 t -63.57 -43.04 98.15 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 115.659 -0.701 . . . . 63.31 110.205 176.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 98.1 mt -64.17 -43.11 96.14 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.612 0.765 . . . . 73.42 111.649 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.3 mt -61.74 -42.68 95.3 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.581 0.752 . . . . 52.42 109.402 172.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.35 -27.41 71.61 Favored Glycine 0 C--N 1.345 1.07 0 CA-C-N 115.487 -0.778 . . . . 63.31 113.954 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.4 mm100 -86.33 -45.56 11.11 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 123.404 0.682 . . . . 73.1 111.687 -178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 32.2 m -85.68 -33.83 7.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 N-CA-C 111.876 0.324 . . . . 64.5 111.876 -173.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.7 tt -92.5 110.57 21.99 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 108.168 -1.049 . . . . 74.33 108.168 -178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.402 ' O ' ' HG3' ' A' ' 107' ' ' PRO . 74.5 m-85 -89.22 94.27 9.86 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 106.931 -1.507 . . . . 72.2 106.931 169.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.43 7.33 5.52 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 113.059 0.763 . . . . 70.31 113.059 -173.667 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.45 -78.24 0.1 Allowed Glycine 0 C--N 1.343 0.942 0 N-CA-C 111.153 -0.779 . . . . 34.14 111.153 178.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -68.61 157.63 61.04 Favored 'Trans proline' 0 C--N 1.377 2.065 0 C-N-CA 122.704 2.27 . . . . 73.1 112.131 178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 49.6 m 65.17 27.88 12.23 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.696 1.198 . . . . 72.35 111.534 -176.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -137.09 133.67 35.62 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.201 1.001 . . . . 63.51 108.873 174.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.32 -16.01 68.64 Favored Glycine 0 C--N 1.348 1.208 0 O-C-N 123.432 0.457 . . . . 73.13 113.722 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.4 pp -132.35 166.05 22.83 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.205 1.002 . . . . 73.44 110.366 178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.5 t -89.59 112.39 51.47 Favored Pre-proline 0 CA--C 1.549 0.909 0 C-N-CA 123.451 0.701 . . . . 70.11 109.329 178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 98' ' ' PHE . 45.9 Cg_endo -85.91 44.91 1.39 Allowed 'Trans proline' 0 C--N 1.373 1.823 0 C-N-CA 123.483 2.789 . . . . 72.22 112.141 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.5 ttm180 -75.05 88.03 2.39 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.948 0.899 . . . . 74.52 109.737 -177.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.15 113.07 0.56 Allowed Glycine 0 C--N 1.341 0.86 0 CA-C-N 115.422 -0.808 . . . . 63.14 112.021 -176.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 46.4 m -74.54 -16.66 60.82 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.601 0.761 . . . . 74.15 111.403 177.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -74.61 -22.6 76.99 Favored Glycine 0 C--N 1.349 1.288 0 CA-C-N 115.954 -0.566 . . . . 73.5 112.388 172.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 124.54 -162.17 18.8 Favored Glycine 0 C--N 1.352 1.417 0 C-N-CA 123.569 0.604 . . . . 74.42 112.257 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.4 mp -96.02 164.59 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.182 0 C-N-CA 124.64 1.176 . . . . 74.12 108.847 -178.181 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -81.86 145.49 30.35 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.051 0.54 . . . . 71.42 110.051 171.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.38 -171.39 41.91 Favored Glycine 0 N--CA 1.475 1.242 0 CA-C-N 116.649 -0.25 . . . . 63.51 113.225 176.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 21.7 t -79.88 -13.48 59.35 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 123.834 0.854 . . . . 74.31 111.904 -177.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -27.76 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.409 0 C-N-CA 123.158 0.583 . . . . 61.31 110.127 172.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -59.76 -42.89 94.27 Favored 'General case' 0 C--N 1.35 0.613 0 C-N-CA 123.163 0.585 . . . . 71.02 111.135 172.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.7 mt-10 -67.99 -35.58 78.58 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 123.761 0.663 . . . . 71.42 110.735 178.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 24.9 m -57.08 -52.9 63.44 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.949 0.899 . . . . 73.05 110.638 174.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 74.8 t -60.78 -37.11 75.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-N 114.318 -1.31 . . . . 63.52 110.807 175.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -63.12 -38.03 89.58 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.012 0.525 . . . . 73.14 111.092 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 28.0 mmt180 -66.12 -55.45 16.39 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 123.61 0.569 . . . . 71.51 110.066 178.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -66.49 -41.95 88.14 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 115.225 -0.898 . . . . 75.21 112.043 -174.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 55.6 tttm -76.33 -28.62 56.96 Favored 'General case' 0 N--CA 1.47 0.572 0 O-C-N 123.774 0.671 . . . . 62.53 110.848 -175.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -60.84 -59.7 4.96 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 109.398 -0.593 . . . . 64.34 109.398 171.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 27.0 mm-40 -62.47 -35.72 80.22 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 115.617 -0.719 . . . . 64.42 110.921 -176.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -68.12 -64.64 0.82 Allowed 'General case' 0 C--N 1.353 0.753 0 C-N-CA 123.095 0.558 . . . . 70.44 110.271 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.6 m -58.37 -33.37 69.51 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.408 1.083 . . . . 73.34 112.245 -171.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.409 ' HB3' HD22 ' A' ' 34' ' ' LEU . 19.1 mt-30 -73.81 -53.39 10.37 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.327 0.651 . . . . 74.14 110.923 178.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . . . . . . . . . 10.1 mp -65.21 -20.1 66.28 Favored 'General case' 0 N--CA 1.495 1.79 0 CA-C-N 117.577 0.171 . . . . 72.52 111.278 175.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -80.26 -46.06 16.87 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.875 1.27 . . . . 75.54 111.066 -178.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 11.0 t -67.11 -36.67 82.43 Favored 'General case' 0 C--N 1.356 0.873 0 N-CA-C 109.574 -0.528 . . . . 63.34 109.574 174.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.621 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.3 ttt -60.12 -43.08 95.93 Favored 'General case' 0 C--N 1.354 0.763 0 O-C-N 123.932 0.77 . . . . 73.33 109.663 174.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.564 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 4.2 ttm -67.95 -51.1 51.49 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.026 0.829 . . . . 63.35 112.908 -176.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 57.2 p -58.35 -40.73 82.96 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 123.76 0.663 . . . . 44.4 110.35 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.498 ' HD3' HD13 ' A' ' 41' ' ' LEU . 8.1 mtpm? -69.82 -45.74 67.2 Favored 'General case' 0 C--N 1.349 0.571 0 CA-C-N 115.12 -0.946 . . . . 75.02 110.883 176.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.621 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.6 pp -73.08 -20.97 60.85 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 118.24 0.473 . . . . 64.14 111.309 -172.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -76.49 -45.42 31.09 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 108.981 -0.748 . . . . 64.15 108.981 174.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 43.5 t30 -58.09 -42.8 86.4 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 124.07 0.856 . . . . 74.32 110.444 174.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 456' ' ' TYR . 67.4 p -66.67 -59.5 3.54 Favored 'General case' 0 C--N 1.351 0.647 0 O-C-N 123.785 0.678 . . . . 51.05 109.869 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.0 p -53.4 -29.27 34.02 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.556 0.742 . . . . 71.04 112.466 -179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.474 ' O ' HG22 ' A' ' 458' ' ' THR . 23.3 t -63.92 -62.77 1.42 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 123.42 0.688 . . . . 72.02 110.96 175.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 453' ' ' THR . 1.2 p90 -72.94 -20.98 60.95 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.507 -0.745 . . . . 73.22 112.371 -177.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . . . . . . . . . 75.4 mt -75.84 -34.1 60.07 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.258 0.623 . . . . 51.42 110.47 178.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.474 HG22 ' O ' ' A' ' 455' ' ' SER . 13.0 t -74.23 -33.09 63.24 Favored 'General case' 0 C--N 1.359 1.01 0 CA-C-N 117.878 0.308 . . . . 55.44 110.386 177.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . 0.417 ' HG3' ' O ' ' A' ' 455' ' ' SER . 17.2 mt-30 -64.47 -47.04 80.5 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 123.467 0.479 . . . . 74.51 109.898 172.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -60.31 -39.78 88.2 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 114.67 -1.15 . . . . 72.42 110.204 178.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 45.5 t80 -65.11 -47.54 76.79 Favored 'General case' 0 C--O 1.219 -0.552 0 C-N-CA 123.606 0.762 . . . . 71.32 110.807 178.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 94.2 m -60.58 -41.2 94.19 Favored 'General case' 0 CA--C 1.548 0.897 0 O-C-N 123.975 0.797 . . . . 61.24 111.276 -175.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.33 -52.99 8.83 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.927 -0.579 . . . . 70.24 111.558 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.477 ' SD ' HG23 ' A' ' 64' ' ' VAL . 53.8 ttm -61.15 -33.24 73.1 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.426 0.69 . . . . 44.53 110.994 -176.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -73.27 -71.47 0.31 Allowed 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 108.316 -0.994 . . . . 74.44 108.316 175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 86.23 2.46 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 112.88 0.696 . . . . 71.45 112.88 178.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 72.1 m . . . . . 0 CA--C 1.558 1.252 0 O-C-N 121.761 -0.587 . . . . 74.52 109.881 162.316 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.2 ptt? . . . . . 0 N--CA 1.481 1.094 0 CA-C-O 121.091 0.472 . . . . 73.2 110.184 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 59.4 p -63.98 -47.27 81.04 Favored 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 123.839 0.856 . . . . 65.1 112.05 -176.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.2 m -64.88 -35.1 80.05 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 123.723 0.809 . . . . 71.35 111.388 -177.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.418 ' O ' HG13 ' A' ' 8' ' ' ILE . 38.5 m -78.44 -40.08 36.78 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 122.869 0.468 . . . . 72.12 111.542 -177.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.7 p -70.6 -37.06 68.29 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 118.117 0.417 . . . . 74.45 110.959 -178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.69 -40.58 88.59 Favored 'General case' 0 C--N 1.361 1.076 0 N-CA-C 109.242 -0.651 . . . . 74.24 109.242 174.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' HB3' ' O ' ' A' ' 4' ' ' THR . 57.9 t80 -52.69 -53.82 42.12 Favored 'General case' 0 CA--C 1.559 1.306 0 C-N-CA 124.116 0.966 . . . . 74.41 111.418 173.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 4' ' ' THR . 98.7 mt -55.31 -59.34 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 C-N-CA 124.589 1.156 . . . . 63.13 111.186 -179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.466 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 88.2 m-20 -60.68 -46.08 91.73 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.428 -1.26 . . . . 71.03 111.807 -172.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.496 ' O ' HG13 ' A' ' 14' ' ' ILE . 80.6 mtm180 -72.81 -35.04 67.24 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-O 118.564 -0.731 . . . . 74.32 111.832 -173.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.473 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 48.5 m95 -61.32 -41.4 96.96 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 118.609 0.641 . . . . 63.55 110.274 172.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.9 tt0 -60.28 -42.41 95.38 Favored 'General case' 0 C--N 1.352 0.677 0 O-C-N 123.585 0.553 . . . . 72.13 110.519 174.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 22.0 mmt180 -59.47 -45.61 91.14 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 123.656 0.598 . . . . 71.12 110.196 178.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 10' ' ' ARG . 90.2 mt -54.38 -50.64 55.76 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 O-C-N 124.396 1.06 . . . . 62.14 109.926 179.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -63.08 -43.91 97.22 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 124.185 0.994 . . . . 72.24 112.802 -177.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.9 mt -61.65 -46.26 90.54 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.768 0.827 . . . . 75.14 110.141 178.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.519 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 90.8 mt -61.25 -45.89 92.63 Favored 'General case' 0 C--N 1.354 0.763 0 CA-C-N 114.811 -1.086 . . . . 74.11 110.066 177.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.0 m -52.22 -53.51 42.58 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.639 1.175 . . . . 54.43 111.139 -176.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.6 tt0 -62.95 -47.21 84.2 Favored 'General case' 0 C--N 1.349 0.587 0 CA-C-N 114.821 -1.081 . . . . 72.43 110.732 -178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 52.2 m -57.99 -55.84 29.67 Favored 'General case' 0 N--CA 1.476 0.839 0 O-C-N 123.951 0.782 . . . . 70.55 111.831 -177.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.588 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -70.3 -25.13 63.18 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.219 0.608 . . . . 53.24 112.071 -175.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 66.6 tp -63.98 -46.48 84.42 Favored 'General case' 0 C--O 1.244 0.801 0 O-C-N 123.467 0.479 . . . . 43.42 110.067 175.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.69 -43.33 94.11 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 114.766 -1.107 . . . . 73.25 109.965 174.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.603 HD13 ' HB3' ' A' ' 32' ' ' LEU . 67.1 mt -66.89 -29.2 69.04 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.844 0.857 . . . . 72.42 112.061 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -72.39 -46.15 56.56 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.559 0.744 . . . . 62.14 110.939 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -75.6 -22.34 57.0 Favored 'General case' 0 N--CA 1.486 1.357 0 C-N-CA 123.046 0.538 . . . . 73.12 111.281 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.419 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 27.5 mmm-85 -70.93 -24.53 62.47 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 123.724 0.81 . . . . 72.43 110.934 170.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 87.66 8.24 73.87 Favored Glycine 0 C--N 1.35 1.332 0 CA-C-N 116.243 -0.435 . . . . 70.03 112.64 -175.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.419 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 34.5 mm-40 -76.51 89.77 3.28 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 124.05 0.94 . . . . 65.3 109.884 178.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 17.3 m95 -77.61 -35.68 52.54 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 123.489 0.493 . . . . 72.14 111.421 -176.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -62.86 -45.89 90.47 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-O 121.147 0.499 . . . . 62.5 110.087 177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.603 ' HB3' HD13 ' A' ' 24' ' ' LEU . 87.8 mt -70.48 -41.06 73.21 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.11 -0.95 . . . . 60.32 111.129 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.588 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.0 tp -58.19 -49.36 77.33 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 123.716 0.806 . . . . 74.3 111.23 176.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 443' ' ' LEU . 81.7 mt -77.91 -18.71 55.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.857 0.863 . . . . 50.31 111.712 -175.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -67.58 -38.83 84.61 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.609 -0.515 . . . . 53.34 109.609 169.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.481 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 73.4 mm-40 -79.97 -27.52 39.69 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 115.435 -0.802 . . . . 75.45 110.822 178.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.0 tt0 -47.23 -60.02 2.77 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 124.887 1.275 . . . . 72.4 111.809 -179.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.7 m -58.94 -44.49 91.05 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-N 115.048 -0.978 . . . . 65.32 111.357 -175.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 13.4 m -60.15 -46.77 88.54 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.197 0.999 . . . . 51.14 110.571 178.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -68.81 -57.96 4.86 Favored 'General case' 0 C--O 1.24 0.583 0 C-N-CA 125.704 1.602 . . . . 72.23 111.993 -170.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.1 mt -62.69 -40.59 97.59 Favored 'General case' 0 CA--C 1.539 0.553 0 O-C-N 124.125 0.891 . . . . 52.44 110.558 -176.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -65.73 -38.12 88.26 Favored 'General case' 0 N--CA 1.477 0.906 0 O-C-N 123.513 0.508 . . . . 74.31 110.916 177.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.453 ' HA ' HG22 ' A' ' 46' ' ' THR . 69.0 m -61.08 -38.22 85.48 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.072 0.549 . . . . 71.45 111.331 177.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.565 HG23 HD21 ' A' ' 457' ' ' LEU . 75.4 mt -65.82 -43.03 93.37 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.994 0 CA-C-O 121.459 0.647 . . . . 62.54 110.53 176.479 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -68.66 -35.48 77.3 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.313 0.645 . . . . 74.41 112.094 -178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.453 HG22 ' HA ' ' A' ' 43' ' ' SER . 13.1 t -79.0 -31.25 44.7 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 122.66 0.384 . . . . 74.54 111.141 -175.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.3 m -70.87 -33.35 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 CA-C-N 118.259 0.482 . . . . 75.41 110.086 170.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.1 mmt -77.42 -12.71 59.99 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.277 0.631 . . . . 73.03 112.405 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.8 tm-20 -67.69 -33.49 75.01 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 109.677 -0.49 . . . . 64.33 109.677 168.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 41.5 mmtm -89.49 -17.92 27.71 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.432 0.693 . . . . 72.42 110.848 171.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 43.36 39.52 2.18 Favored 'General case' 0 N--CA 1.495 1.807 0 C-N-CA 126.102 1.761 . . . . 74.04 112.911 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.9 m 68.07 101.51 0.04 OUTLIER Pre-proline 0 CA--C 1.558 1.262 0 C-N-CA 125.146 1.379 . . . . 74.24 111.095 -174.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -51.57 155.67 7.21 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 123.466 2.777 . . . . 75.51 113.815 172.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -63.13 -38.52 44.87 Favored 'Trans proline' 0 C--N 1.374 1.893 0 C-N-CA 122.761 2.307 . . . . 71.02 112.522 174.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -83.99 66.9 3.82 Favored Glycine 0 C--N 1.35 1.31 0 CA-C-N 115.964 -0.562 . . . . 71.42 113.107 -176.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 48.5 mm -118.94 113.43 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 108.201 -1.037 . . . . 55.02 108.201 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.9 t -77.91 170.8 15.98 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.184 0.594 . . . . 61.34 110.009 177.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.17 -24.99 65.03 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 123.292 0.637 . . . . 74.44 111.961 -174.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 63' ' ' MET . 29.0 t -72.35 -46.67 54.4 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.39 0.676 . . . . 73.12 110.545 178.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.417 HG23 HG12 ' A' ' 8' ' ' ILE . 80.2 mt -67.45 -41.11 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 123.749 0.819 . . . . 64.14 110.093 178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -54.8 -46.43 74.47 Favored 'General case' 0 CA--C 1.543 0.682 0 C-N-CA 124.831 1.253 . . . . 64.13 110.801 173.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -59.66 -49.28 78.38 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.95 0.9 . . . . 52.31 111.634 178.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.431 ' HG3' ' O ' ' A' ' 59' ' ' SER . 48.5 mtm -59.95 -55.97 27.44 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 123.789 0.681 . . . . 53.4 110.475 -177.415 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.588 ' O ' HG13 ' A' ' 68' ' ' ILE . 29.2 m -69.11 -33.12 56.98 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.893 0 CA-C-N 115.388 -0.823 . . . . 74.43 111.693 -173.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.82 -34.67 78.43 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 123.386 0.429 . . . . 61.31 110.208 174.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -64.09 -39.33 97.08 Favored Glycine 0 C--N 1.351 1.408 0 CA-C-N 115.697 -0.683 . . . . 64.54 111.958 172.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -71.86 -30.02 64.99 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.325 0.65 . . . . 61.35 111.456 178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 64' ' ' VAL . 50.8 mt -73.75 -36.84 47.5 Favored 'Isoleucine or valine' 0 C--N 1.358 0.956 0 N-CA-C 109.049 -0.723 . . . . 64.14 109.049 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.2 tmmm? -60.01 -45.15 93.72 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.052 -0.722 . . . . 60.43 109.052 175.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.442 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 26.1 mt-30 -62.72 -49.03 76.67 Favored 'General case' 0 C--N 1.351 0.674 0 CA-C-N 115.684 -0.689 . . . . 54.34 111.079 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.547 HG22 ' HA ' ' A' ' 68' ' ' ILE . 10.7 t -64.24 -44.22 92.49 Favored 'General case' 0 C--O 1.211 -0.942 0 O-C-N 123.617 0.573 . . . . 72.41 110.728 -176.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.44 -44.4 92.92 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 123.809 0.844 . . . . 62.11 112.062 179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -62.44 -54.86 33.99 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.166 0.987 . . . . 75.0 110.657 -178.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.429 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 10.1 m120 -67.68 -37.74 82.74 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.273 -0.876 . . . . 62.55 111.036 -175.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.538 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.8 tt0 -73.97 -27.18 60.86 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 124.821 1.248 . . . . 74.44 111.564 -178.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -65.47 -43.46 90.19 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.786 0.834 . . . . 75.11 110.043 169.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.82 -31.22 68.98 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.15 -0.932 . . . . 70.01 111.002 178.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.538 HD12 ' HA ' ' A' ' 75' ' ' GLU . 92.3 mt -66.23 -42.07 89.18 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.365 0.666 . . . . 73.43 110.132 172.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -55.25 -52.32 63.78 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 123.861 0.725 . . . . 75.44 110.103 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.09 -46.47 65.39 Favored Glycine 0 C--N 1.351 1.37 0 O-C-N 123.761 0.663 . . . . 70.13 113.712 -179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.4 -56.32 19.36 Favored 'General case' 0 N--CA 1.484 1.256 0 C-N-CA 124.184 0.993 . . . . 65.44 110.022 -177.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 72.5 mt -69.06 -22.56 64.02 Favored 'General case' 0 C--O 1.213 -0.846 0 CA-C-N 115.772 -0.649 . . . . 73.34 111.473 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -61.68 -46.21 90.69 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.353 0.524 . . . . 64.21 110.192 173.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -59.82 -50.46 73.71 Favored 'General case' 0 C--N 1.349 0.555 0 CA-C-N 114.863 -1.062 . . . . 71.14 110.434 175.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 1.1 mmp_? -59.22 -49.37 78.11 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.006 -0.997 . . . . 63.13 111.286 -176.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.7 mt -68.2 -31.41 70.91 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 123.881 0.872 . . . . 75.11 112.152 -178.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -61.79 -48.24 81.53 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-O 121.336 0.589 . . . . 71.54 109.604 176.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.448 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 33.4 mt-10 -60.69 -57.46 12.59 Favored 'General case' 0 N--CA 1.475 0.786 0 CA-C-N 114.675 -1.148 . . . . 73.52 110.237 177.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 88.0 mt -56.61 -41.63 77.38 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.041 0.936 . . . . 74.51 111.506 -176.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 33.1 t -60.55 -46.84 88.7 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 123.628 0.771 . . . . 61.04 110.966 179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.416 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 26.9 t -65.22 -39.87 93.34 Favored 'General case' 0 CA--C 1.546 0.798 0 O-C-N 123.77 0.669 . . . . 74.32 111.061 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 95.9 mt -64.57 -47.64 77.97 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.555 0.742 . . . . 65.13 111.177 -177.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 73.0 mt -62.63 -41.07 90.77 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.06 0.944 . . . . 62.24 109.671 175.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.22 -29.05 67.77 Favored Glycine 0 C--N 1.347 1.193 0 CA-C-N 115.696 -0.684 . . . . 63.41 113.561 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 91' ' ' SER . 14.4 mm100 -86.89 -52.48 5.45 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.401 0.68 . . . . 74.31 111.315 178.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 26.7 m -75.43 -37.81 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.747 0.419 . . . . 74.32 111.495 -170.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.5 tt -79.3 111.67 15.77 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.175 -1.417 . . . . 72.12 107.175 175.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.463 ' HB2' ' HG2' ' A' ' 107' ' ' PRO . 52.2 m-85 -86.22 85.85 7.34 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 108.447 -0.945 . . . . 55.34 108.447 177.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.39 18.03 3.46 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.038 -0.983 . . . . 71.42 111.919 -176.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 153.72 -73.54 0.25 Allowed Glycine 0 C--N 1.337 0.614 0 N-CA-C 110.231 -1.147 . . . . 71.44 110.231 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -81.0 -174.51 2.26 Favored 'Trans proline' 0 C--N 1.375 1.925 0 C-N-CA 123.376 2.717 . . . . 72.34 113.15 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 26.2 m 66.01 16.79 10.6 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 125.261 1.424 . . . . 74.31 112.973 175.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -153.33 157.14 39.62 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.096 0.959 . . . . 33.24 109.215 177.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.8 -53.84 35.11 Favored Glycine 0 C--N 1.35 1.359 0 O-C-N 123.88 0.738 . . . . 41.32 111.948 178.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.8 pp -98.41 -175.9 3.23 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.576 0.75 . . . . 74.04 109.324 170.118 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 51.2 t -110.19 97.99 33.19 Favored Pre-proline 0 CA--C 1.552 1.04 0 N-CA-C 108.705 -0.85 . . . . 65.13 108.705 176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.463 ' HG2' ' HB2' ' A' ' 98' ' ' PHE . 95.1 Cg_endo -87.48 53.77 2.58 Favored 'Trans proline' 0 C--N 1.379 2.139 0 C-N-CA 123.245 2.63 . . . . 74.41 111.221 174.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.5 ttp180 -98.84 53.64 1.0 Allowed 'General case' 0 CA--C 1.55 0.964 0 CA-C-O 122.164 0.983 . . . . 63.15 108.476 178.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.16 94.27 0.8 Allowed Glycine 0 C--N 1.345 1.054 0 N-CA-C 109.971 -1.252 . . . . 74.04 109.971 170.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 35.3 m -63.42 91.12 0.05 Allowed 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 123.737 0.815 . . . . 74.22 110.553 -178.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 148.25 -40.89 0.92 Allowed Glycine 0 C--N 1.336 0.577 0 CA-C-N 115.057 -0.974 . . . . 64.03 111.066 -175.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -168.55 145.83 9.88 Favored Glycine 0 C--N 1.356 1.651 0 N-CA-C 113.816 0.286 . . . . 51.12 113.816 -178.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 2.9 mp -118.47 161.93 17.0 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.153 0 N-CA-C 107.606 -1.257 . . . . 75.33 107.606 173.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -78.96 132.79 36.82 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.209 0.604 . . . . 63.4 110.598 176.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 88.6 -170.59 38.7 Favored Glycine 0 CA--C 1.532 1.096 0 N-CA-C 113.63 0.212 . . . . 63.44 113.63 173.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 24.2 t -72.35 -16.47 61.87 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.422 1.089 . . . . 75.03 112.322 -175.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -57.65 -35.81 51.99 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.172 0 C-N-CA 123.231 0.612 . . . . 64.22 110.043 173.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.14 -45.09 91.87 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.662 0.785 . . . . 72.2 111.482 175.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.467 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 50.7 mt-10 -66.44 -48.88 68.56 Favored 'General case' 0 C--N 1.351 0.641 0 O-C-N 123.832 0.708 . . . . 71.21 110.758 -176.34 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.8 t -65.64 -34.21 77.7 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.039 0.212 . . . . 74.21 111.306 -177.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 46.6 t -61.74 -51.01 77.87 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.943 0 N-CA-C 108.848 -0.797 . . . . 73.42 108.848 170.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -59.98 -39.73 86.69 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 123.791 0.836 . . . . 70.14 112.547 -175.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.467 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 18.5 mmt180 -76.25 -54.24 7.07 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.8 0.44 . . . . 53.25 110.337 -175.751 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -67.88 -27.07 66.35 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.392 0.432 . . . . 73.14 111.395 -177.496 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -75.75 -41.93 51.87 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.211 0.605 . . . . 63.2 110.508 176.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.29 -50.1 73.04 Favored 'General case' 0 N--CA 1.474 0.729 0 O-C-N 123.337 0.398 . . . . 61.22 109.935 177.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -60.12 -44.35 94.96 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.428 0.691 . . . . 71.4 111.128 177.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 92.8 t80 -58.94 -57.13 14.43 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.744 0.418 . . . . 72.44 110.388 178.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 28.8 m -59.05 -35.7 73.78 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 124.106 0.962 . . . . 75.51 111.951 -175.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.4 mt-30 -71.19 -49.94 38.36 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.694 0.797 . . . . 73.21 111.591 179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.487 HD12 HD21 ' A' ' 34' ' ' LEU . 10.4 mp -69.17 -21.96 63.95 Favored 'General case' 0 N--CA 1.485 1.321 0 C-N-CA 122.742 0.417 . . . . 63.32 111.097 175.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -82.78 -43.36 16.83 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.967 0.907 . . . . 64.14 110.808 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.8 t -69.93 -31.89 69.88 Favored 'General case' 0 C--N 1.349 0.58 0 N-CA-C 109.068 -0.716 . . . . 43.14 109.068 176.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.564 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.3 ttt -62.55 -46.42 88.45 Favored 'General case' 0 C--N 1.357 0.9 0 O-C-N 123.801 0.688 . . . . 70.1 109.608 171.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.484 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 17.4 ttm -62.67 -50.62 70.44 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 124.234 0.958 . . . . 73.53 112.366 -178.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 24.3 p -63.78 -38.06 89.7 Favored 'General case' 0 C--O 1.244 0.775 0 C-N-CA 123.158 0.583 . . . . 71.21 110.792 -176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -70.35 -44.67 67.68 Favored 'General case' 0 C--N 1.35 0.605 0 CA-C-N 115.896 -0.593 . . . . 72.02 111.055 174.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.564 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -71.85 -19.13 62.01 Favored 'General case' 0 N--CA 1.485 1.299 0 CA-C-N 118.016 0.371 . . . . 71.54 110.924 -176.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -74.8 -49.27 21.38 Favored 'General case' 0 C--O 1.242 0.706 0 C-N-CA 123.991 0.916 . . . . 75.43 109.158 174.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 47.3 t30 -60.46 -44.78 95.51 Favored 'General case' 0 C--O 1.247 0.958 0 CA-C-N 115.201 -0.909 . . . . 72.33 110.583 177.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.429 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 63.0 p -64.45 -59.56 4.2 Favored 'General case' 0 C--N 1.349 0.57 0 CA-C-O 118.108 -0.949 . . . . 63.34 109.736 -177.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 80.9 p -52.39 -30.47 29.3 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 123.576 0.75 . . . . 75.44 112.585 -179.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 36.4 t -60.62 -65.3 0.71 Allowed 'General case' 0 CA--C 1.548 0.899 0 O-C-N 123.677 0.611 . . . . 73.24 110.714 172.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -71.13 -18.33 62.52 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 112.645 0.609 . . . . 74.4 112.645 -177.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.565 HD21 HG23 ' A' ' 44' ' ' ILE . 70.6 mt -77.19 -39.12 49.94 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 123.95 0.9 . . . . 62.44 111.22 177.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 12.3 t -72.44 -33.16 66.88 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 109.839 -0.43 . . . . 74.12 109.839 178.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -65.0 -46.56 80.91 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 123.591 0.557 . . . . 74.23 109.919 171.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 24.2 tp60 -57.75 -44.05 85.84 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.545 1.138 . . . . 55.13 110.925 178.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -63.39 -55.37 24.96 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 124.09 0.869 . . . . 73.14 110.784 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 34.7 m -60.09 -37.47 80.03 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 124.13 0.894 . . . . 73.24 111.582 -175.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -73.51 -50.63 20.49 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 123.091 0.556 . . . . 61.14 111.259 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.464 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.8 ttm -61.65 -35.57 78.3 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.375 0.67 . . . . 74.4 110.936 -177.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 52.1 t-20 -81.26 -66.03 0.94 Allowed 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.327 -0.851 . . . . 53.04 109.117 -179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.04 79.53 1.8 Allowed 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 123.419 0.688 . . . . 71.55 111.667 176.508 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 17.1 p . . . . . 0 CA--C 1.561 1.397 0 O-C-N 121.818 -0.551 . . . . 61.12 111.295 168.739 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.571 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 24.7 ptt? . . . . . 0 CA--C 1.557 1.236 0 CA-C-O 121.761 0.791 . . . . 72.5 110.416 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.6 p -74.36 -47.81 31.89 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 123.153 0.581 . . . . 51.01 111.193 -177.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -63.73 -32.5 74.01 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 115.804 -0.635 . . . . 42.33 110.445 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.571 ' HB ' ' HB2' ' A' ' 1' ' ' MET . 36.4 m -81.0 -33.81 33.41 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 115.884 -0.598 . . . . 71.31 111.855 -178.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.91 -42.02 82.24 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 CA-C-N 118.933 0.788 . . . . 74.24 110.19 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -68.96 -34.26 75.05 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 122.6 0.36 . . . . 63.53 110.506 176.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 4' ' ' THR . 46.0 t80 -53.34 -53.63 48.32 Favored 'General case' 0 CA--C 1.557 1.239 0 C-N-CA 124.171 0.989 . . . . 72.11 110.818 170.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.501 HG12 HG23 ' A' ' 60' ' ' ILE . 92.3 mt -54.2 -57.72 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 C-N-CA 124.025 0.93 . . . . 75.14 110.72 178.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.515 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 74.8 m-20 -58.82 -47.41 84.89 Favored 'General case' 0 C--N 1.349 0.559 0 CA-C-N 113.916 -1.493 . . . . 71.4 111.515 -172.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.2 mtm180 -72.49 -35.03 68.07 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-O 118.626 -0.702 . . . . 74.12 111.949 -175.005 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.0 m95 -65.87 -36.32 83.11 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 118.676 0.671 . . . . 55.51 110.839 173.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -58.66 -44.87 90.29 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 123.798 0.687 . . . . 74.25 109.717 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 21.3 mmt180 -63.97 -42.15 97.35 Favored 'General case' 0 C--N 1.358 0.974 0 O-C-N 123.465 0.478 . . . . 75.12 110.384 179.583 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 10' ' ' ARG . 95.9 mt -60.52 -43.7 94.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.218 0 C-N-CA 123.876 0.87 . . . . 71.44 110.737 -177.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.04 -41.78 77.2 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 122.697 0.399 . . . . 71.43 111.715 179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 94.5 mt -67.82 -35.11 78.04 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 122.919 0.488 . . . . 73.42 111.165 179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.502 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 79.6 mt -72.61 -49.17 33.9 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 123.548 0.739 . . . . 61.02 110.522 -178.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.8 p -56.27 -40.14 73.77 Favored 'General case' 0 N--CA 1.479 1.016 0 O-C-N 123.971 0.794 . . . . 74.21 110.487 177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -64.82 -47.16 79.03 Favored 'General case' 0 N--CA 1.471 0.614 0 O-C-N 124.235 0.96 . . . . 73.32 111.264 177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.439 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 66.2 m -58.67 -56.98 15.17 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.377 0.671 . . . . 52.13 111.065 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.726 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -74.44 -19.41 60.41 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 123.009 0.524 . . . . 61.01 112.068 -174.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.3 -47.89 82.29 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 109.316 -0.624 . . . . 71.12 109.316 170.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -60.91 -42.56 98.3 Favored 'General case' 0 C--N 1.354 0.773 0 CA-C-N 114.548 -1.206 . . . . 73.2 110.464 175.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 20' ' ' SER . 55.9 mt -68.86 -32.1 71.53 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.85 0.86 . . . . 61.01 111.446 -178.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.442 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -72.48 -48.51 40.17 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.779 0.832 . . . . 43.11 111.06 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -70.79 -26.99 63.58 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 122.682 0.393 . . . . 72.42 111.048 -179.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -79.14 -21.17 46.91 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.923 0.889 . . . . 63.12 112.027 176.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 89.05 6.41 71.8 Favored Glycine 0 C--N 1.347 1.192 0 CA-C-O 119.975 -0.347 . . . . 54.01 113.705 178.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -79.55 80.24 5.95 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 109.206 -0.664 . . . . 73.54 109.206 172.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.44 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 42.3 m95 -68.35 -38.81 81.81 Favored 'General case' 0 C--O 1.215 -0.729 0 CA-C-N 114.81 -1.087 . . . . 62.43 111.512 -175.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -56.37 -38.01 70.85 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.671 0.788 . . . . 51.54 111.206 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 78.4 mt -80.61 -32.91 36.21 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.401 -0.818 . . . . 45.21 110.995 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.726 HD12 ' HB2' ' A' ' 21' ' ' LEU . 42.9 tp -60.35 -37.95 82.31 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.553 0.741 . . . . 74.54 110.291 171.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.442 HD21 HD12 ' A' ' 443' ' ' LEU . 87.2 mt -78.03 -32.34 50.94 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.639 1.175 . . . . 72.32 110.886 -178.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -60.4 -44.05 96.08 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.441 -0.799 . . . . 63.55 109.587 173.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -89.07 -10.41 47.53 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 115.492 -0.777 . . . . 75.04 112.514 -178.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 65.8 tt0 -57.56 -55.78 30.36 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.129 0.572 . . . . 75.43 110.15 173.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.2 m -61.46 -41.39 89.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-N 114.831 -1.077 . . . . 51.22 111.576 -174.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 58.0 p -72.38 -43.5 63.89 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.721 0.809 . . . . 74.25 111.075 -176.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -65.05 -56.21 14.37 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.417 1.087 . . . . 73.13 111.722 -177.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.1 mt -64.11 -37.53 87.8 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.41 -0.814 . . . . 74.11 110.46 -178.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -55.15 -46.45 75.72 Favored 'General case' 0 N--CA 1.484 1.257 0 O-C-N 123.773 0.671 . . . . 63.13 111.558 172.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 49.3 m -61.28 -42.13 98.12 Favored 'General case' 0 C--O 1.247 0.954 0 C-N-CA 123.341 0.657 . . . . 72.33 111.413 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.408 HG23 HD21 ' A' ' 457' ' ' LEU . 56.9 mt -66.9 -41.22 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 CA-C-N 116.019 -0.537 . . . . 61.44 110.323 177.493 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -67.67 -32.13 72.59 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.389 0.675 . . . . 55.33 111.516 -178.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.0 t -84.75 -27.77 26.7 Favored 'General case' 0 CA--C 1.548 0.892 0 N-CA-C 111.965 0.357 . . . . 72.32 111.965 -175.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' HG2' ' A' ' 48' ' ' MET . 35.5 m -75.92 -32.85 24.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 O-C-N 121.75 -0.594 . . . . 75.25 110.386 170.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.478 ' HG2' HG23 ' A' ' 47' ' ' VAL . 17.2 mmt -98.75 0.02 43.62 Favored 'General case' 0 N--CA 1.481 1.082 0 N-CA-C 113.547 0.944 . . . . 74.33 113.547 -174.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.27 -31.15 63.91 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 108.692 -0.855 . . . . 74.32 108.692 166.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -35.73 16.07 Favored 'General case' 0 CA--C 1.552 1.05 0 CA-C-N 114.262 -1.335 . . . . 71.34 108.621 177.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 69.84 59.13 0.28 Allowed 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 125.115 1.366 . . . . 72.24 110.812 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.2 m 64.8 114.07 0.02 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.789 1.236 . . . . 70.31 112.944 175.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_endo -67.45 129.28 19.84 Favored 'Trans proline' 0 C--N 1.374 1.914 0 C-N-CA 122.627 2.218 . . . . 73.42 111.761 170.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -75.16 99.33 1.25 Allowed 'Trans proline' 0 C--N 1.37 1.7 0 C-N-CA 122.805 2.337 . . . . 64.11 109.967 171.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 166.84 42.28 0.02 OUTLIER Glycine 0 C--N 1.336 0.558 0 N-CA-C 110.2 -1.16 . . . . 74.41 110.2 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 19.5 mm -110.59 116.08 51.48 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.487 0 C-N-CA 124.179 0.992 . . . . 75.12 108.534 -173.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.5 t -76.07 175.95 8.44 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 117.807 0.276 . . . . 74.33 110.622 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.49 ' HD2' ' N ' ' A' ' 59' ' ' SER . 5.2 ppt_? -65.98 -30.02 70.51 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.596 0.758 . . . . 73.34 111.952 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.49 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 35.2 t -73.81 -44.02 57.09 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.198 0.599 . . . . 53.52 110.696 -178.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.501 HG23 HG12 ' A' ' 8' ' ' ILE . 95.5 mt -72.62 -41.54 63.0 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.715 0 C-N-CA 123.576 0.75 . . . . 72.24 110.266 -178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.434 ' HG3' ' HG2' ' A' ' 464' ' ' MET . 35.7 tt0 -60.98 -37.08 81.19 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.223 1.009 . . . . 73.43 110.46 176.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -64.05 -51.19 65.3 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 123.714 0.806 . . . . 75.44 110.159 175.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.425 ' HG3' ' O ' ' A' ' 59' ' ' SER . 55.5 mtm -58.8 -57.06 14.71 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.289 0.636 . . . . 64.41 111.0 -177.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.477 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.4 m -68.25 -27.06 35.58 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.017 0 CA-C-N 115.876 -0.602 . . . . 71.41 111.976 -175.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.6 -38.32 90.66 Favored 'General case' 0 N--CA 1.482 1.153 0 CA-C-N 118.287 0.494 . . . . 71.32 109.775 171.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.446 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -64.17 -45.31 94.02 Favored Glycine 0 C--N 1.349 1.298 0 CA-C-N 115.731 -0.668 . . . . 63.22 112.201 172.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -65.24 -37.31 86.84 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.458 0.703 . . . . 72.3 112.128 -179.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 64' ' ' VAL . 83.4 mt -72.28 -41.07 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 N-CA-C 108.708 -0.849 . . . . 71.12 108.708 178.4 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -58.32 -41.35 84.34 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 123.338 0.655 . . . . 71.12 111.037 177.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.446 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 23.5 mt-30 -63.0 -53.19 57.89 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 115.578 -0.737 . . . . 75.43 109.917 175.792 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -66.8 -28.15 68.15 Favored 'General case' 0 C--O 1.212 -0.903 0 CA-C-N 114.947 -1.024 . . . . 64.13 111.069 -171.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -70.42 -48.54 55.56 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.628 0.771 . . . . 74.12 110.665 176.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.47 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 18.4 t70 -55.52 -54.22 46.67 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 124.162 0.914 . . . . 70.31 110.262 178.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.459 HD22 ' N ' ' A' ' 74' ' ' ASN . 0.8 OUTLIER -64.24 -42.3 96.59 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 114.838 -1.074 . . . . 44.2 111.172 -174.574 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.622 ' HA ' HD12 ' A' ' 78' ' ' LEU . 37.5 tt0 -74.81 -26.32 59.65 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.979 0.912 . . . . 74.21 111.516 -177.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -71.6 -39.27 70.62 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.311 0.644 . . . . 73.11 109.749 171.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 89.1 mt -67.11 -33.64 75.89 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.866 -0.606 . . . . 72.52 110.187 176.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.622 HD12 ' HA ' ' A' ' 75' ' ' GLU . 87.6 mt -63.54 -44.71 93.42 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 123.221 0.608 . . . . 72.05 110.122 172.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -53.81 -54.71 34.52 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.396 0.678 . . . . 74.51 110.575 179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.7 -49.05 52.42 Favored Glycine 0 C--N 1.351 1.365 0 O-C-N 123.77 0.669 . . . . 73.41 113.669 -178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.43 -54.52 35.34 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 123.994 0.918 . . . . 70.31 109.931 -175.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.453 HD22 HD23 ' A' ' 443' ' ' LEU . 76.8 mt -67.72 -25.2 65.53 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 123.016 0.526 . . . . 34.04 111.328 -178.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -64.39 -43.34 94.74 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 118.282 0.492 . . . . 61.14 110.829 174.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -59.35 -49.07 79.24 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 123.878 0.736 . . . . 75.22 109.54 174.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.427 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 1.2 mmp_? -57.7 -50.76 72.12 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 124.255 0.972 . . . . 73.31 111.734 -178.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.628 HD21 ' HB2' ' A' ' 443' ' ' LEU . 95.9 mt -71.87 -25.19 61.84 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.896 0.878 . . . . 74.14 112.263 -176.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -71.1 -37.8 72.39 Favored 'General case' 0 N--CA 1.475 0.824 0 N-CA-C 109.454 -0.572 . . . . 71.24 109.454 174.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.453 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 34.8 mt-10 -69.6 -47.39 63.68 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.864 0.866 . . . . 75.21 110.403 175.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.558 HD12 HD23 ' A' ' 86' ' ' LEU . 96.0 mt -62.13 -44.12 97.34 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.786 0.834 . . . . 73.2 110.462 -179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 27.1 t -69.14 -32.82 72.45 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.129 0.572 . . . . 64.02 111.308 179.219 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.1 t -64.41 -38.02 89.58 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.336 0.654 . . . . 62.51 110.124 174.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 93.5 mt -69.76 -48.67 58.48 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 115.528 -0.76 . . . . 52.42 110.037 177.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 89' ' ' LEU . 95.8 mt -60.44 -40.73 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.36 0 C-N-CA 124.522 1.129 . . . . 74.53 110.976 -177.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -60.55 -25.53 63.31 Favored Glycine 0 CA--C 1.534 1.23 0 CA-C-N 116.191 -0.459 . . . . 31.01 113.622 -178.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -93.34 -50.73 5.32 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.646 0.778 . . . . 72.0 110.741 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.576 HG23 HG22 ' A' ' 433' ' ' VAL . 22.4 m -79.89 -26.71 12.2 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.491 0.716 . . . . 73.2 112.404 -167.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 tt -91.63 114.56 27.13 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 107.265 -1.383 . . . . 70.22 107.265 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -85.27 94.69 8.98 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.165 -1.05 . . . . 65.23 108.165 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.0 pp0? -87.02 -14.89 40.31 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.027 0.531 . . . . 74.53 111.942 -175.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.633 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . -165.34 -77.97 0.03 OUTLIER Glycine 0 C--N 1.346 1.089 0 N-CA-C 111.555 -0.618 . . . . 74.41 111.555 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -78.54 -168.61 0.64 Allowed 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 123.441 2.761 . . . . 54.21 111.864 175.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.2 m 66.08 21.91 11.18 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.401 1.08 . . . . 73.33 111.12 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -156.19 175.14 14.37 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.617 1.167 . . . . 64.44 109.98 -177.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.36 -49.85 8.92 Favored Glycine 0 C--N 1.344 1.016 0 N-CA-C 112.003 -0.439 . . . . 74.11 112.003 176.102 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.0 pp -108.32 -177.52 3.35 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.325 1.05 . . . . 72.2 109.849 176.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.633 HG13 ' HA2' ' A' ' 100' ' ' GLY . 86.7 t -92.29 101.42 4.86 Favored Pre-proline 0 CA--C 1.554 1.122 0 N-CA-C 108.656 -0.868 . . . . 65.14 108.656 174.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 4.3 Cg_exo -81.13 26.79 0.59 Allowed 'Trans proline' 0 C--N 1.378 2.097 0 C-N-CA 123.813 3.008 . . . . 53.4 113.275 -178.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.3 ttp85 -72.89 92.09 1.58 Allowed 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 123.795 0.838 . . . . 75.22 109.737 172.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -151.32 107.81 0.35 Allowed Glycine 0 C--N 1.338 0.664 0 N-CA-C 110.704 -0.958 . . . . 62.2 110.704 178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 19.6 m -75.84 85.63 2.8 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 123.26 0.624 . . . . 55.44 110.159 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -169.47 -60.54 0.03 OUTLIER Glycine 0 C--N 1.336 0.541 0 N-CA-C 110.473 -1.051 . . . . 42.12 110.473 178.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -175.67 149.79 10.34 Favored Glycine 0 C--N 1.348 1.246 0 N-CA-C 113.616 0.206 . . . . 55.52 113.616 177.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.6 mp -109.2 146.7 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 107.071 -1.455 . . . . 55.35 107.071 172.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -71.34 137.02 48.11 Favored 'General case' 0 N--CA 1.484 1.247 0 CA-C-N 118.636 0.653 . . . . 74.1 111.025 176.183 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.54 173.35 30.91 Favored Glycine 0 C--N 1.352 1.447 0 CA-C-N 116.322 -0.399 . . . . 71.34 113.018 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 29.5 t -72.44 -9.61 58.75 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 124.502 1.121 . . . . 64.24 111.993 -179.24 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -38.57 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 123.991 0.917 . . . . 51.31 110.075 168.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -58.73 -42.98 90.06 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 123.812 0.845 . . . . 64.02 111.016 178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.486 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 43.6 mt-10 -64.79 -56.85 11.02 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 123.966 0.791 . . . . 73.51 111.014 -179.105 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 14.1 t -63.05 -40.87 98.99 Favored 'General case' 0 CA--C 1.549 0.91 0 O-C-N 123.447 0.467 . . . . 75.11 111.968 -174.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.576 HG22 HG23 ' A' ' 96' ' ' VAL . 82.6 t -67.43 -37.13 78.36 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 122.83 0.452 . . . . 54.03 110.177 177.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.96 82.18 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.197 0.599 . . . . 61.22 111.376 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 23.1 mmt180 -68.32 -47.47 67.44 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 109.723 -0.473 . . . . 73.12 109.723 178.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -63.58 -37.41 87.22 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.68 0.392 . . . . 73.32 111.246 177.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 56.2 tttm -71.54 -33.98 69.61 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.217 1.007 . . . . 75.15 110.296 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.1 -55.97 15.67 Favored 'General case' 0 C--N 1.348 0.505 0 N-CA-C 109.639 -0.504 . . . . 51.13 109.639 175.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 21.1 mm-40 -61.83 -35.21 77.58 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.693 -0.685 . . . . 75.3 110.681 -177.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -64.92 -63.93 0.99 Allowed 'General case' 0 C--N 1.354 0.804 0 CA-C-N 115.999 -0.546 . . . . 64.33 110.192 177.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 35.0 m -60.48 -40.38 91.09 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.755 0.822 . . . . 74.31 112.166 -172.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -68.42 -50.93 49.16 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.573 0.749 . . . . 72.1 111.312 -177.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.628 ' HB2' HD21 ' A' ' 86' ' ' LEU . 8.6 mp -72.18 -20.51 61.58 Favored 'General case' 0 CA--C 1.556 1.198 0 C-N-CA 121.997 0.119 . . . . 50.54 111.005 178.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -78.12 -44.4 26.2 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 123.945 0.898 . . . . 64.22 111.033 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.1 t -72.19 -33.02 67.32 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 109.509 -0.552 . . . . 73.23 109.509 176.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.627 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.1 ttt -61.01 -43.86 98.27 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.937 0.773 . . . . 72.13 109.356 171.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.552 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 46.7 ttm -65.05 -47.41 77.43 Favored 'General case' 0 C--N 1.357 0.915 0 O-C-N 124.087 0.867 . . . . 75.0 111.684 -178.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 18.7 m -59.0 -41.43 87.68 Favored 'General case' 0 C--O 1.246 0.903 0 CA-C-O 121.225 0.536 . . . . 62.05 110.545 -178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.41 ' O ' HG23 ' A' ' 453' ' ' THR . 58.1 mtpt -69.05 -49.46 57.25 Favored 'General case' 0 C--N 1.349 0.552 0 CA-C-N 114.9 -1.045 . . . . 71.33 110.661 177.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.627 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.2 pp -72.36 -19.44 61.63 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 120.758 0.313 . . . . 74.11 111.623 -173.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -76.19 -48.5 20.22 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.862 0.865 . . . . 72.21 109.226 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -64.32 -38.32 90.62 Favored 'General case' 0 C--N 1.356 0.891 0 CA-C-N 115.232 -0.895 . . . . 61.0 110.504 178.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 54.2 p -65.85 -60.62 2.69 Favored 'General case' 0 C--N 1.35 0.59 0 CA-C-O 118.386 -0.816 . . . . 73.43 109.418 179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 78.7 p -52.36 -30.3 28.13 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 123.521 0.728 . . . . 75.14 112.144 -178.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.409 ' O ' HG22 ' A' ' 458' ' ' THR . 44.0 t -58.71 -66.83 0.43 Allowed 'General case' 0 CA--C 1.551 1.019 0 O-C-N 123.8 0.687 . . . . 63.23 110.627 171.392 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -71.48 -20.42 62.08 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 112.944 0.72 . . . . 74.41 112.944 -176.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.408 HD21 HG23 ' A' ' 44' ' ' ILE . 69.3 mt -73.25 -41.37 63.77 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.72 0.808 . . . . 62.14 110.368 178.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.409 HG22 ' O ' ' A' ' 455' ' ' SER . 6.7 t -72.84 -33.54 66.22 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.129 0.268 . . . . 72.14 110.518 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -65.02 -43.63 91.81 Favored 'General case' 0 N--CA 1.477 0.893 0 CA-C-N 116.171 -0.468 . . . . 75.5 109.92 174.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -70.2 -31.32 68.71 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 115.324 -0.853 . . . . 72.52 110.754 177.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.81 -56.58 14.39 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.164 0.585 . . . . 72.2 109.717 178.11 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 25.1 m -63.92 -32.74 74.37 Favored 'General case' 0 CA--C 1.549 0.932 0 O-C-N 123.864 0.728 . . . . 71.11 111.756 -177.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -72.47 -51.45 20.1 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.027 0.442 . . . . 64.34 111.095 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.434 ' HG2' ' HG3' ' A' ' 61' ' ' GLN . 50.5 ttm -64.74 -34.64 78.82 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 115.388 -0.824 . . . . 74.13 110.559 -177.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -75.97 -67.9 0.63 Allowed 'General case' 0 CA--C 1.547 0.835 0 N-CA-C 108.721 -0.844 . . . . 64.31 108.721 179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . 0.404 ' HB3' ' NZ ' ' A' ' 466' ' ' LYS . 0.0 OUTLIER -122.79 80.5 1.76 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 123.407 0.683 . . . . 75.41 111.209 177.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 70.8 m . . . . . 0 CA--C 1.566 1.574 0 C-N-CA 124.107 0.963 . . . . 75.51 112.268 163.3 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.6 ptt? . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 109.448 -0.575 . . . . 74.22 109.448 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 67.5 p -62.56 -50.47 71.17 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.641 0.776 . . . . 74.4 111.63 -174.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.3 m -62.39 -41.07 98.38 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.043 0.937 . . . . 62.45 111.229 -177.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.422 ' O ' HG13 ' A' ' 8' ' ' ILE . 62.2 m -75.18 -38.69 60.75 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.137 -0.938 . . . . 53.51 112.076 -177.127 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.6 p -69.89 -40.5 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.182 0 CA-C-N 118.459 0.572 . . . . 75.22 110.562 -176.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -68.15 -36.27 79.4 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 110.144 -0.317 . . . . 75.53 110.144 176.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.439 ' CE2' HG11 ' A' ' 64' ' ' VAL . 50.3 t80 -54.28 -52.23 62.1 Favored 'General case' 0 CA--C 1.556 1.203 0 C-N-CA 123.713 0.805 . . . . 72.13 110.501 170.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 4' ' ' THR . 97.4 mt -61.44 -56.99 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 C-N-CA 124.004 0.922 . . . . 71.13 111.619 -177.357 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.492 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 50.5 m-80 -59.44 -42.47 92.0 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 123.824 0.703 . . . . 73.21 112.115 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' O ' HG13 ' A' ' 14' ' ' ILE . 86.4 mtm180 -75.71 -37.97 59.0 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 118.663 -0.685 . . . . 72.24 111.715 -175.325 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.425 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 53.3 m95 -63.97 -36.92 85.56 Favored 'General case' 0 N--CA 1.494 1.767 0 CA-C-N 118.763 0.71 . . . . 72.5 110.827 172.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 60.6 tt0 -59.28 -46.23 89.11 Favored 'General case' 0 C--N 1.343 0.316 0 CA-C-N 114.804 -1.089 . . . . 72.41 109.038 174.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.492 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 82.2 mmt-85 -59.21 -50.74 72.84 Favored 'General case' 0 C--O 1.209 -1.043 0 O-C-N 123.682 0.614 . . . . 63.34 110.275 176.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.7 mt -53.31 -44.3 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 124.192 0.997 . . . . 65.42 111.73 -175.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.14 -43.87 55.84 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.785 0.661 . . . . 72.11 112.785 -178.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 89.6 mt -65.15 -38.63 91.21 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.083 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 95.7 mt -75.1 -42.53 56.39 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.823 0.849 . . . . 72.55 110.341 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.491 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.8 p -58.8 -41.48 86.87 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 123.627 0.579 . . . . 63.02 110.587 -179.404 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -64.98 -46.49 81.25 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 115.157 -0.929 . . . . 73.35 110.552 176.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.5 m -54.6 -59.87 4.12 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 123.839 0.712 . . . . 73.43 111.437 179.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.584 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -72.32 -23.32 61.14 Favored 'General case' 0 C--N 1.35 0.613 0 CA-C-N 115.684 -0.689 . . . . 74.02 112.207 -173.304 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.425 ' HA ' HD21 ' A' ' 78' ' ' LEU . 57.1 tp -59.64 -53.49 57.47 Favored 'General case' 0 C--N 1.356 0.881 0 N-CA-C 109.418 -0.586 . . . . 74.32 109.418 171.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.497 ' HA ' HE21 ' A' ' 26' ' ' GLN . 43.6 mt-10 -65.57 -38.04 88.41 Favored 'General case' 0 C--O 1.222 -0.359 0 CA-C-N 115.121 -0.945 . . . . 74.41 111.011 -178.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.495 HD13 ' HB3' ' A' ' 32' ' ' LEU . 86.1 mt -59.91 -41.96 92.84 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 123.602 0.761 . . . . 74.34 110.694 176.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.483 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -63.15 -45.95 89.48 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 123.584 0.754 . . . . 72.15 111.07 176.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.497 HE21 ' HA ' ' A' ' 23' ' ' GLU . 19.0 mt-30 -65.35 -28.25 69.16 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 123.719 0.808 . . . . 65.15 111.485 179.032 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -79.95 -24.04 41.26 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.088 0.955 . . . . 71.52 111.047 178.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.24 0.09 50.78 Favored Glycine 0 C--N 1.349 1.252 0 O-C-N 123.487 0.492 . . . . 54.04 112.994 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -76.82 79.11 3.41 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.509 0.724 . . . . 74.11 109.866 172.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 48.7 m95 -71.79 -30.84 65.97 Favored 'General case' 0 C--O 1.22 -0.5 0 CA-C-N 115.16 -0.927 . . . . 72.52 110.322 178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.22 -41.18 81.65 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.152 0.581 . . . . 71.23 110.074 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.495 ' HB3' HD13 ' A' ' 24' ' ' LEU . 64.2 mt -74.57 -31.76 62.17 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.176 0.59 . . . . 51.03 111.313 177.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.584 HD12 ' HB2' ' A' ' 21' ' ' LEU . 27.9 tp -56.25 -45.54 79.98 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.6 0.76 . . . . 74.31 110.25 168.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD21 HD12 ' A' ' 443' ' ' LEU . 77.7 mt -80.46 -21.24 42.24 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.43 1.092 . . . . 71.33 112.237 -178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -72.46 -37.36 68.54 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 109.26 -0.644 . . . . 74.2 109.26 175.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -88.55 -13.94 38.88 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.322 -0.853 . . . . 63.14 112.128 175.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -51.34 -57.02 10.03 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 124.077 0.951 . . . . 73.15 110.777 173.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.2 m -57.72 -44.41 85.71 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-N 114.672 -1.149 . . . . 72.22 111.115 -177.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 14.2 m -61.64 -48.15 82.16 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.965 0.906 . . . . 72.3 111.243 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.491 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.6 t80 -67.69 -61.54 1.84 Allowed 'General case' 0 C--O 1.244 0.774 0 C-N-CA 125.488 1.515 . . . . 73.11 111.475 -171.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.2 mt -60.43 -42.24 95.66 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 124.047 0.842 . . . . 74.44 111.006 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -55.97 -47.24 78.01 Favored 'General case' 0 N--CA 1.486 1.345 0 O-C-N 123.673 0.608 . . . . 53.52 111.484 177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.8 m -59.08 -42.23 89.91 Favored 'General case' 0 CA--C 1.548 0.902 0 O-C-N 123.882 0.738 . . . . 72.44 111.81 178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.546 HG23 HD21 ' A' ' 457' ' ' LEU . 64.0 mt -63.65 -46.63 94.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-O 121.372 0.606 . . . . 72.31 110.568 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.65 -43.13 97.97 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.038 -0.983 . . . . 62.41 111.602 -177.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.0 t -77.34 -36.62 53.67 Favored 'General case' 0 CA--C 1.553 1.069 0 N-CA-C 112.056 0.391 . . . . 71.01 112.056 -174.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 35.8 m -68.07 -33.17 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 CA-C-N 118.169 0.44 . . . . 63.14 111.298 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.599 ' HE2' HD23 ' A' ' 457' ' ' LEU . 20.1 mmt -85.34 -29.37 24.55 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 112.375 0.509 . . . . 75.14 112.375 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -67.33 -34.24 76.92 Favored 'General case' 0 N--CA 1.483 1.197 0 CA-C-O 121.42 0.629 . . . . 64.31 110.07 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.04 -35.54 25.68 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-N 115.054 -0.975 . . . . 62.44 108.577 173.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 73.66 149.23 0.1 Allowed 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 125.497 1.519 . . . . 72.42 111.052 -176.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.5 m -48.84 116.82 5.68 Favored Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 124.959 1.304 . . . . 71.33 111.775 177.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.423 ' HG2' HD11 ' A' ' 56' ' ' ILE . 40.2 Cg_endo -65.71 149.1 87.35 Favored 'Trans proline' 0 C--N 1.376 2.023 0 C-N-CA 122.472 2.115 . . . . 70.12 111.432 174.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 19.5 Cg_exo -67.36 -20.89 48.06 Favored 'Trans proline' 0 C--N 1.373 1.833 0 C-N-CA 122.811 2.34 . . . . 75.24 113.01 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.01 59.79 4.91 Favored Glycine 0 C--N 1.349 1.28 0 CA-C-N 116.433 -0.349 . . . . 44.32 112.891 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.423 HD11 ' HG2' ' A' ' 53' ' ' PRO . 50.9 mm -119.66 113.64 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 N-CA-C 107.969 -1.122 . . . . 64.11 107.969 174.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.7 t -75.02 173.89 10.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 122.977 0.511 . . . . 74.42 110.271 177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 59' ' ' SER . 1.2 ppt_? -66.85 -23.99 66.09 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.437 0.695 . . . . 72.15 111.731 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.432 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 37.2 t -70.04 -55.49 9.4 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.153 0.581 . . . . 64.3 110.291 177.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.0 mt -66.1 -35.64 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.865 0 C-N-CA 124.38 1.072 . . . . 52.34 110.955 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -61.76 -42.07 98.51 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.317 1.047 . . . . 65.14 110.754 176.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.62 -45.98 81.03 Favored 'General case' 0 N--CA 1.482 1.143 0 C-N-CA 123.204 0.602 . . . . 73.3 110.848 177.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 30.2 mtp -52.55 -58.25 7.36 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.676 1.19 . . . . 70.44 110.892 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 68' ' ' ILE . 26.9 m -74.31 -22.25 17.86 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.936 0 CA-C-N 115.347 -0.842 . . . . 62.35 112.257 -178.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.56 -38.7 91.07 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 118.392 0.542 . . . . 71.12 109.555 170.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -67.53 -41.74 89.72 Favored Glycine 0 C--N 1.348 1.242 0 CA-C-N 115.498 -0.774 . . . . 71.04 111.845 173.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -65.73 -40.91 92.63 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 123.123 0.569 . . . . 73.33 112.522 -178.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 64' ' ' VAL . 54.5 mt -74.62 -36.13 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 109.417 -0.586 . . . . 45.23 109.417 -179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -61.47 -43.18 99.31 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.682 0.393 . . . . 72.51 110.933 176.082 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -61.21 -50.41 73.2 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.807 -0.633 . . . . 71.33 110.435 176.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.497 HG22 ' HA ' ' A' ' 68' ' ' ILE . 4.3 t -67.37 -33.97 76.32 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 123.721 0.638 . . . . 75.13 111.226 -173.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 79.7 mt -65.92 -42.86 89.61 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.214 0.606 . . . . 72.31 111.206 175.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.77 -58.28 9.23 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 124.081 0.863 . . . . 70.24 110.297 178.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -61.58 -43.29 99.14 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 114.896 -1.047 . . . . 62.13 111.518 -174.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.566 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.5 tt0 -73.32 -26.09 60.9 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.063 0.945 . . . . 62.52 111.867 -176.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -73.26 -39.04 65.72 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.227 0.611 . . . . 73.23 110.376 173.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.3 mt -68.64 -33.95 74.9 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.7 -0.682 . . . . 75.23 110.181 176.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.566 HD12 ' HA ' ' A' ' 75' ' ' GLU . 91.3 mt -65.15 -42.31 93.89 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.51 0.724 . . . . 45.35 110.177 171.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -53.98 -53.69 49.42 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.308 0.643 . . . . 75.0 110.179 -178.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.44 -51.46 52.15 Favored Glycine 0 C--N 1.35 1.343 0 O-C-N 123.819 0.699 . . . . 72.25 113.502 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 tt -61.78 -56.29 21.09 Favored 'General case' 0 N--CA 1.486 1.335 0 C-N-CA 123.99 0.916 . . . . 74.34 110.832 -174.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.403 HD22 HD23 ' A' ' 443' ' ' LEU . 74.7 mt -63.45 -30.89 71.94 Favored 'General case' 0 C--O 1.215 -0.761 0 CA-C-N 115.711 -0.677 . . . . 72.0 111.131 -178.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -64.74 -39.9 94.41 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-N 118.142 0.428 . . . . 74.21 110.973 176.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -60.47 -47.75 84.78 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.709 0.63 . . . . 72.54 109.939 175.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -61.33 -47.47 85.78 Favored 'General case' 0 C--N 1.347 0.474 0 CA-C-N 115.115 -0.948 . . . . 74.35 111.827 179.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.58 -32.07 73.43 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.565 0.746 . . . . 74.25 111.329 -178.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -68.31 -48.8 63.97 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.285 0.634 . . . . 51.5 110.44 178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 42.2 mt-10 -63.06 -49.43 74.55 Favored 'General case' 0 N--CA 1.473 0.724 0 CA-C-N 115.5 -0.773 . . . . 54.43 110.645 179.667 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 93' ' ' ILE . 94.1 mt -61.23 -43.52 98.75 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.738 0.815 . . . . 61.42 111.017 -179.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.3 t -67.3 -33.32 75.04 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.332 0.653 . . . . 75.25 111.733 178.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.414 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 26.9 t -68.0 -38.3 82.48 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 109.685 -0.487 . . . . 64.23 109.685 177.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.8 mt -67.59 -42.57 82.27 Favored 'General case' 0 C--N 1.35 0.616 0 CA-C-N 115.538 -0.756 . . . . 61.53 110.596 176.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 89' ' ' LEU . 92.6 mt -60.19 -38.94 79.1 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.356 0 C-N-CA 123.886 0.874 . . . . 73.31 110.156 175.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -62.02 -30.19 74.81 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 115.653 -0.703 . . . . 64.43 113.31 178.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.414 ' HG2' ' O ' ' A' ' 91' ' ' SER . 12.5 mm100 -88.47 -43.69 11.26 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 123.274 0.63 . . . . 75.31 111.403 -179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.561 HG23 HG22 ' A' ' 433' ' ' VAL . 23.3 m -87.78 -33.99 7.02 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.359 0 N-CA-C 112.521 0.563 . . . . 71.04 112.521 -167.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 tt -91.43 116.32 28.75 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 108.328 -0.99 . . . . 70.34 108.328 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -84.7 86.36 7.34 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 108.93 -0.767 . . . . 64.32 108.93 177.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.98 -21.49 60.84 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.323 0.649 . . . . 75.32 112.357 -172.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.466 ' HA2' HG13 ' A' ' 106' ' ' VAL . . . -158.12 -74.46 0.02 OUTLIER Glycine 0 C--N 1.347 1.168 0 CA-C-O 119.568 -0.573 . . . . 74.24 111.922 -178.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -84.52 -165.72 0.32 Allowed 'Trans proline' 0 C--N 1.376 2.012 0 C-N-CA 123.252 2.634 . . . . 74.52 112.491 179.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.6 m 70.42 31.37 3.01 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 125.133 1.373 . . . . 74.31 112.32 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -161.1 178.73 9.03 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.175 0.99 . . . . 44.43 109.947 175.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.81 -46.67 13.44 Favored Glycine 0 C--N 1.348 1.196 0 N-CA-C 112.151 -0.38 . . . . 60.0 112.151 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 pp -107.19 171.15 7.53 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.171 0.988 . . . . 74.01 109.397 174.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.466 HG13 ' HA2' ' A' ' 100' ' ' GLY . 42.1 t -81.99 107.89 9.83 Favored Pre-proline 0 CA--C 1.554 1.099 0 N-CA-C 108.941 -0.763 . . . . 71.21 108.941 175.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 2.0 Cg_endo -86.66 42.7 0.93 Allowed 'Trans proline' 0 C--N 1.376 1.991 0 C-N-CA 123.776 2.984 . . . . 72.41 111.708 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -73.11 83.03 1.29 Allowed 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.587 0.755 . . . . 72.44 109.025 177.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -159.84 57.28 0.32 Allowed Glycine 0 C--N 1.342 0.915 0 N-CA-C 110.707 -0.957 . . . . 72.34 110.707 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.8 m -69.91 88.1 0.56 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 124.546 1.139 . . . . 65.24 111.445 -175.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 163.64 -35.03 0.3 Allowed Glycine 0 C--N 1.342 0.909 0 CA-C-N 115.912 -0.585 . . . . 72.32 112.841 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -142.99 73.65 0.35 Allowed Glycine 0 C--N 1.352 1.46 0 CA-C-N 116.538 0.169 . . . . 72.13 113.147 -175.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.4 mp -94.51 155.41 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.024 0 N-CA-C 108.334 -0.988 . . . . 63.55 108.334 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.69 146.63 31.0 Favored 'General case' 0 N--CA 1.486 1.329 0 O-C-N 121.973 -0.455 . . . . 73.01 109.953 174.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 86.6 -178.77 48.91 Favored Glycine 0 C--N 1.345 1.074 0 CA-C-N 116.422 -0.353 . . . . 71.33 112.869 -177.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 14.1 t -79.59 -10.95 59.88 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.63 0.772 . . . . 75.23 111.83 -176.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -35.97 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.324 0 C-N-CA 123.971 0.909 . . . . 70.21 109.983 171.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -53.35 -47.59 69.25 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 124.177 0.991 . . . . 62.15 111.17 174.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.484 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 36.1 mt-10 -70.31 -47.11 62.64 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.255 -0.884 . . . . 73.41 111.533 -173.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 12.6 t -66.19 -39.86 89.99 Favored 'General case' 0 N--CA 1.484 1.235 0 CA-C-N 117.783 0.265 . . . . 74.25 111.383 -178.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.561 HG22 HG23 ' A' ' 96' ' ' VAL . 66.7 t -61.8 -40.36 86.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.86 0 N-CA-C 109.767 -0.457 . . . . 73.11 109.767 173.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.65 -30.9 71.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.434 0.694 . . . . 71.51 111.93 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.484 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 64.1 mmt-85 -68.59 -50.18 53.6 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 122.821 0.448 . . . . 61.41 109.902 177.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -66.86 -35.82 80.91 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.163 -0.926 . . . . 71.43 110.894 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 61.1 tttp -70.77 -40.24 72.74 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.825 0.85 . . . . 75.11 110.38 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -63.1 -58.16 8.19 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.42 0.45 . . . . 64.02 110.324 178.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -59.31 -36.15 75.09 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.221 0.608 . . . . 74.31 111.792 -179.168 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -64.94 -63.88 1.0 Allowed 'General case' 0 C--N 1.349 0.557 0 N-CA-C 109.927 -0.397 . . . . 63.33 109.927 177.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 31.5 m -55.73 -40.33 72.33 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.205 1.002 . . . . 63.12 112.223 -174.205 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -67.83 -53.03 30.1 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.668 0.787 . . . . 71.04 111.69 -178.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.405 HD12 HD21 ' A' ' 34' ' ' LEU . 8.8 mp -73.52 -19.8 60.82 Favored 'General case' 0 N--CA 1.486 1.337 0 C-N-CA 122.606 0.362 . . . . 71.31 111.354 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -81.0 -44.69 17.71 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.077 0.951 . . . . 75.41 110.735 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.1 t -70.24 -31.67 69.18 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.654 -0.499 . . . . 72.45 109.654 175.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.586 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.7 ttt -62.63 -41.93 99.31 Favored 'General case' 0 C--N 1.357 0.912 0 CA-C-N 115.771 -0.65 . . . . 72.23 109.378 172.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.632 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 28.6 ttm -66.14 -45.78 79.8 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 124.036 0.835 . . . . 75.13 112.422 -178.06 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 32.8 p -61.4 -43.56 98.66 Favored 'General case' 0 C--O 1.25 1.097 0 CA-C-O 121.152 0.501 . . . . 71.04 110.622 -179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -67.93 -44.2 77.39 Favored 'General case' 0 C--N 1.347 0.487 0 CA-C-N 115.319 -0.855 . . . . 74.43 111.539 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.632 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 2.4 pp -73.38 -18.65 61.14 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 117.776 0.262 . . . . 52.31 111.161 -175.263 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -76.19 -47.71 23.09 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.01 0.524 . . . . 72.32 109.815 174.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -65.01 -36.99 86.18 Favored 'General case' 0 C--O 1.249 1.049 0 CA-C-N 115.749 -0.659 . . . . 72.15 110.888 177.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.432 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 48.2 p -64.59 -61.85 1.95 Allowed 'General case' 0 C--N 1.356 0.884 0 CA-C-O 118.673 -0.679 . . . . 73.41 109.371 177.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 61.6 p -50.57 -32.33 18.32 Favored 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 123.683 0.793 . . . . 75.5 112.697 -179.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 46.3 t -59.95 -62.95 1.49 Allowed 'General case' 0 CA--C 1.546 0.826 0 O-C-N 123.749 0.655 . . . . 54.33 110.869 174.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . 0.478 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 0.9 OUTLIER -71.74 -19.72 62.0 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 112.664 0.616 . . . . 75.21 112.664 -178.573 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.599 HD23 ' HE2' ' A' ' 48' ' ' MET . 81.6 mt -71.11 -42.23 69.54 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.382 0.673 . . . . 61.13 110.851 176.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.6 t -75.77 -32.73 60.07 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.209 0.204 . . . . 72.11 110.881 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -60.3 -52.3 65.87 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-O 121.217 0.532 . . . . 72.33 109.622 171.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . 0.415 HE21 ' HB2' ' A' ' 464' ' ' MET . 24.9 tp60 -61.19 -41.39 96.73 Favored 'General case' 0 C--N 1.355 0.838 0 CA-C-N 114.615 -1.175 . . . . 75.24 111.403 179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 17.7 t80 -62.88 -48.74 77.69 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.583 0.353 . . . . 74.53 110.678 -178.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 87.2 m -61.51 -37.59 84.27 Favored 'General case' 0 CA--C 1.552 1.031 0 O-C-N 123.853 0.721 . . . . 62.3 111.833 -177.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -76.98 -46.15 24.97 Favored 'General case' 0 N--CA 1.482 1.141 0 CA-C-O 120.997 0.427 . . . . 72.13 112.041 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.485 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.0 ttm -63.91 -34.09 77.17 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 123.732 0.813 . . . . 71.55 110.869 -177.281 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -81.51 -62.7 1.57 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 115.346 -0.843 . . . . 60.01 109.623 178.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.38 80.96 1.84 Allowed 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 121.379 0.609 . . . . 74.01 111.579 175.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 CA--C 1.562 1.418 0 C-N-CA 123.108 0.563 . . . . 54.31 110.54 163.372 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.4 ptt? . . . . . 0 CA--C 1.554 1.116 0 CA-C-O 121.969 0.89 . . . . 73.23 109.664 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 40.7 p -61.19 -52.25 65.59 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 124.073 0.949 . . . . 73.43 112.824 -172.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 m -67.63 -26.57 66.3 Favored 'General case' 0 CA--C 1.55 0.974 0 CA-C-N 115.907 -0.588 . . . . 62.23 111.078 -177.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.44 ' O ' HG13 ' A' ' 8' ' ' ILE . 58.7 m -78.13 -39.14 42.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 123.426 0.69 . . . . 75.42 111.663 179.53 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.5 p -71.4 -40.03 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.132 0 CA-C-N 118.243 0.474 . . . . 61.41 110.683 -178.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.07 -37.6 84.28 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 110.575 -0.157 . . . . 72.34 110.575 175.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.437 ' HB3' ' O ' ' A' ' 4' ' ' THR . 33.6 t80 -50.02 -53.4 27.03 Favored 'General case' 0 CA--C 1.565 1.541 0 C-N-CA 123.759 0.823 . . . . 75.43 110.884 168.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.49 HG12 HG23 ' A' ' 60' ' ' ILE . 94.2 mt -57.2 -62.05 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 C-N-CA 124.069 0.948 . . . . 75.43 111.911 -178.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.426 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 55.0 m-80 -61.57 -38.11 86.31 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.355 -0.839 . . . . 71.23 112.137 -172.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' O ' HG13 ' A' ' 14' ' ' ILE . 54.1 mtm180 -72.29 -37.55 68.97 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 118.654 -0.688 . . . . 74.01 111.058 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 39.5 m95 -61.93 -39.62 92.7 Favored 'General case' 0 N--CA 1.494 1.745 0 CA-C-N 118.5 0.591 . . . . 71.34 111.173 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 64.4 tt0 -55.64 -49.12 73.73 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 123.856 0.722 . . . . 74.45 110.377 172.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 56.6 mmt-85 -62.1 -38.94 90.78 Favored 'General case' 0 C--N 1.354 0.77 0 CA-C-N 115.83 -0.623 . . . . 72.1 111.318 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 10' ' ' ARG . 88.8 mt -61.15 -45.62 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 123.687 0.795 . . . . 70.2 110.88 -177.331 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.52 -36.51 76.5 Favored 'General case' 0 N--CA 1.482 1.175 0 N-CA-C 112.066 0.395 . . . . 71.51 112.066 178.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 79.4 mt -62.14 -48.92 77.98 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.297 0.639 . . . . 72.13 111.098 175.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.486 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.6 mt -66.79 -45.79 77.34 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 115.275 -0.875 . . . . 74.21 110.533 -176.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.495 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 52.6 p -58.4 -43.68 88.66 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.036 0.835 . . . . 63.51 111.591 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -64.73 -45.51 86.18 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.823 0.702 . . . . 74.02 110.991 178.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.425 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 60.7 m -60.89 -51.66 68.35 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.417 -0.81 . . . . 74.52 111.292 -177.715 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.671 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -74.63 -22.63 58.82 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.494 0.317 . . . . 62.21 111.701 -176.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 62.3 tp -61.88 -46.0 91.31 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-O 121.257 0.551 . . . . 73.21 109.712 171.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -62.2 -40.09 94.92 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 114.616 -1.174 . . . . 73.22 110.6 175.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD13 ' HB3' ' A' ' 32' ' ' LEU . 59.2 mt -69.02 -28.58 66.7 Favored 'General case' 0 CA--C 1.552 1.025 0 C-N-CA 123.297 0.639 . . . . 72.44 111.647 178.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.414 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -71.39 -46.44 60.28 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 123.362 0.665 . . . . 63.35 110.99 178.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -74.44 -22.74 58.98 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 122.773 0.429 . . . . 71.23 111.126 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 16.2 mmm180 -74.9 -14.71 60.69 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.836 0.854 . . . . 72.1 111.629 172.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 78.05 9.06 87.22 Favored Glycine 0 C--N 1.351 1.382 0 O-C-N 123.301 0.376 . . . . 74.33 112.779 -176.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -86.07 79.8 9.04 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 124.172 0.989 . . . . 52.24 109.052 -178.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 33.9 m95 -71.62 -32.94 68.52 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 115.29 -0.868 . . . . 74.41 112.21 -172.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -64.09 -43.7 94.59 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-O 121.195 0.521 . . . . 73.53 110.159 179.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' HB3' HD13 ' A' ' 24' ' ' LEU . 88.3 mt -71.06 -38.77 72.5 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-N 114.977 -1.01 . . . . 62.24 110.478 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.671 HD12 ' HB2' ' A' ' 21' ' ' LEU . 43.0 tp -54.29 -49.35 69.83 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.278 1.031 . . . . 74.22 110.828 173.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.513 HD21 HD12 ' A' ' 443' ' ' LEU . 81.4 mt -76.5 -23.85 53.73 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.091 -0.959 . . . . 72.03 111.94 -176.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -69.74 -37.45 76.46 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 109.906 -0.405 . . . . 71.25 109.906 176.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.519 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 76.6 mm-40 -82.82 -27.57 30.8 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 116.129 -0.487 . . . . 51.13 110.971 178.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 34' ' ' LEU . 30.0 tt0 -45.27 -57.16 4.18 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 125.491 1.517 . . . . 50.32 112.186 176.027 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -59.28 -44.94 93.3 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.521 0 O-C-N 124.143 0.902 . . . . 64.12 111.601 -172.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.0 m -62.82 -43.27 99.24 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.46 0.704 . . . . 74.01 110.629 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.495 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 25.2 t80 -64.92 -64.12 0.94 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 124.946 1.298 . . . . 65.02 112.169 -174.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.71 -38.52 88.16 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.806 0.843 . . . . 70.24 111.428 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -64.4 -38.53 91.35 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 123.123 0.265 . . . . 73.45 110.787 179.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.455 ' HA ' HG22 ' A' ' 46' ' ' THR . 69.4 m -64.16 -40.56 96.4 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.007 0.523 . . . . 25.13 111.976 176.488 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.629 HG23 HD21 ' A' ' 457' ' ' LEU . 84.4 mt -59.31 -50.01 81.41 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 CA-C-O 121.964 0.888 . . . . 63.32 110.102 176.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.6 -29.26 63.36 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.285 -0.87 . . . . 75.15 111.238 -175.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 43' ' ' SER . 2.3 t -77.1 -30.84 55.52 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 117.653 0.206 . . . . 65.42 111.497 -177.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 32.7 m -72.84 -31.7 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.308 0 N-CA-C 109.644 -0.502 . . . . 73.44 109.644 170.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 22.0 mmt -79.95 -7.58 58.86 Favored 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 113.044 0.757 . . . . 74.42 113.044 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -65.6 -30.17 70.86 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-O 120.901 0.382 . . . . 74.32 110.46 167.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -87.95 -7.32 57.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.626 0.771 . . . . 64.12 111.539 175.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 59.7 30.21 19.79 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.951 0.9 . . . . 62.13 111.372 -176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 99.6 m 62.34 100.24 0.04 OUTLIER Pre-proline 0 CA--C 1.562 1.419 0 C-N-CA 124.597 1.159 . . . . 70.31 110.451 -173.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.49 ' O ' HG12 ' A' ' 56' ' ' ILE . 32.5 Cg_exo -58.02 122.12 11.17 Favored 'Trans proline' 0 C--N 1.379 2.18 0 C-N-CA 122.928 2.419 . . . . 73.24 111.325 -178.192 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 36.8 Cg_exo -62.48 -10.04 17.69 Favored 'Trans proline' 0 C--N 1.374 1.903 0 C-N-CA 122.86 2.374 . . . . 74.52 114.634 -175.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -79.89 61.17 4.34 Favored Glycine 0 C--N 1.348 1.208 0 N-CA-C 112.665 -0.174 . . . . 70.02 112.665 175.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.49 HG12 ' O ' ' A' ' 53' ' ' PRO . 42.0 mm -120.69 114.37 43.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.417 1.087 . . . . 73.33 108.344 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 13.1 t -75.2 166.08 24.19 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.641 -0.503 . . . . 73.53 109.641 173.341 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.405 ' HA ' ' HB3' ' A' ' 61' ' ' GLN . 0.1 OUTLIER -67.31 -20.82 65.67 Favored 'General case' 0 N--CA 1.486 1.326 0 N-CA-C 112.462 0.541 . . . . 74.43 112.462 -173.204 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HG3' ' A' ' 63' ' ' MET . 38.4 t -69.51 -52.41 26.68 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.036 0.534 . . . . 72.31 110.141 176.118 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.49 HG23 HG12 ' A' ' 8' ' ' ILE . 96.7 mt -66.01 -43.3 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 124.108 0.963 . . . . 61.51 110.069 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 58' ' ' ARG . 32.3 tt0 -49.36 -48.34 46.83 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.753 1.621 . . . . 74.41 111.428 174.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -71.01 -39.01 72.65 Favored 'General case' 0 CA--C 1.548 0.878 0 O-C-N 123.721 0.638 . . . . 74.52 111.75 -177.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.401 ' HG3' ' O ' ' A' ' 59' ' ' SER . 43.2 mtm -60.51 -61.82 2.31 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 121.439 0.637 . . . . 70.15 110.377 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.9 m -62.18 -32.57 55.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 CA-C-N 114.619 -1.173 . . . . 71.14 112.24 -176.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.48 -33.73 75.71 Favored 'General case' 0 C--N 1.35 0.607 0 O-C-N 123.1 0.25 . . . . 73.41 110.55 176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.34 -40.87 99.22 Favored Glycine 0 C--N 1.354 1.549 0 N-CA-C 111.748 -0.541 . . . . 75.04 111.748 170.084 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.468 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 45.7 m-85 -68.73 -36.68 78.72 Favored 'General case' 0 CA--C 1.55 0.976 0 N-CA-C 112.675 0.62 . . . . 75.34 112.675 177.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 64' ' ' VAL . 59.2 mt -70.7 -38.78 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.965 0 N-CA-C 108.996 -0.742 . . . . 72.31 108.996 178.611 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.73 -46.16 84.82 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.732 0.813 . . . . 64.55 109.601 177.072 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 25.4 mt-30 -65.11 -42.4 93.98 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 115.374 -0.83 . . . . 72.34 111.802 178.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.412 HG22 ' HA ' ' A' ' 68' ' ' ILE . 1.9 t -72.22 -32.85 67.12 Favored 'General case' 0 CA--C 1.545 0.759 0 O-C-N 123.065 0.228 . . . . 63.51 110.93 -175.275 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.6 mt -65.83 -44.23 86.2 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 123.672 0.789 . . . . 61.3 110.393 176.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.416 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 12.5 t70 -54.97 -59.16 5.12 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 124.742 1.276 . . . . 72.45 110.52 177.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -62.66 -42.61 99.71 Favored 'General case' 0 N--CA 1.471 0.597 0 O-C-N 123.851 0.719 . . . . 53.31 111.586 -175.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.574 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.6 tt0 -73.05 -24.35 60.69 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.887 0.875 . . . . 63.41 112.088 -175.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -75.72 -34.73 60.35 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-O 121.433 0.635 . . . . 72.23 110.376 173.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 73' ' ' ASP . 83.9 mt -73.42 -29.19 62.41 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 115.51 -0.768 . . . . 63.22 110.39 175.134 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.574 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -67.3 -43.13 82.47 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.209 0.603 . . . . 53.41 109.584 170.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 54.7 tttp -53.21 -52.36 59.16 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.56 0.744 . . . . 71.34 110.081 178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.24 -52.44 36.16 Favored Glycine 0 CA--C 1.534 1.276 0 O-C-N 123.535 0.522 . . . . 75.11 113.693 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.4 tt -64.94 -50.65 65.59 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.751 0.82 . . . . 65.15 110.382 -172.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 69.3 mt -70.21 -26.94 64.11 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 116.013 -0.539 . . . . 73.41 111.146 -178.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.76 -41.54 97.82 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 118.422 0.556 . . . . 64.42 110.36 173.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -58.72 -50.73 72.83 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.105 0.878 . . . . 73.23 109.584 173.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -57.86 -49.24 77.37 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 124.184 0.927 . . . . 45.21 111.467 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.4 mt -67.05 -36.91 83.09 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.811 0.844 . . . . 72.24 112.007 -175.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -66.26 -41.7 89.54 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.042 0.537 . . . . 52.34 109.642 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 48.7 mt-10 -67.25 -49.02 66.0 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 114.936 -1.029 . . . . 73.11 110.773 177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.93 -35.93 82.29 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 123.757 0.823 . . . . 74.4 111.323 -178.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.3 t -63.84 -44.08 94.24 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.308 0.643 . . . . 52.32 110.134 176.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.496 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 22.8 t -64.73 -39.83 94.3 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.698 -0.683 . . . . 22.43 110.909 177.019 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 80.8 mt -62.81 -55.57 25.17 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.408 0.683 . . . . 74.2 111.3 -178.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 66.0 mt -62.77 -34.65 66.88 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 124.039 0.837 . . . . 64.32 110.086 178.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.4 -39.19 96.93 Favored Glycine 0 C--N 1.346 1.098 0 CA-C-N 115.665 -0.698 . . . . 75.43 113.727 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.496 ' HG2' ' O ' ' A' ' 91' ' ' SER . 11.5 mm100 -79.88 -37.04 35.65 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 116.948 0.374 . . . . 73.45 111.548 -176.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.3 m -87.33 -36.4 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 N-CA-C 112.702 0.63 . . . . 75.53 112.702 -172.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.4 tt -72.47 111.96 8.11 Favored 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 108.239 -1.022 . . . . 73.44 108.239 -178.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -76.61 96.6 4.19 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.327 -0.99 . . . . 74.34 108.327 174.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.67 12.52 31.52 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.144 0.577 . . . . 73.31 111.463 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 162.59 -72.67 0.2 Allowed Glycine 0 C--N 1.34 0.794 0 CA-C-O 119.431 -0.65 . . . . 70.44 111.692 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.17 170.01 20.87 Favored 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 122.763 2.309 . . . . 63.33 112.411 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 38.5 m 63.27 29.91 15.8 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 124.514 1.125 . . . . 55.2 111.451 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -156.66 146.78 21.15 Favored 'General case' 0 N--CA 1.474 0.755 0 CA-C-N 114.783 -1.099 . . . . 75.14 109.757 -178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.28 -27.36 69.1 Favored Glycine 0 C--N 1.348 1.222 0 O-C-N 123.517 0.51 . . . . 33.34 113.45 178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pp -127.24 -172.23 2.61 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.154 0.982 . . . . 64.22 109.807 176.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.6 102.91 18.31 Favored Pre-proline 0 CA--C 1.553 1.077 0 N-CA-C 108.814 -0.81 . . . . 64.45 108.814 175.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -84.81 19.91 1.32 Allowed 'Trans proline' 0 C--N 1.376 2.014 0 C-N-CA 123.607 2.872 . . . . 65.54 113.116 177.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -69.94 106.16 3.09 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 109.023 -0.732 . . . . 74.31 109.023 173.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -173.1 102.12 0.17 Allowed Glycine 0 N--CA 1.45 -0.383 0 N-CA-C 111.039 -0.824 . . . . 71.31 111.039 -178.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 36.7 m -61.02 95.64 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 123.459 0.704 . . . . 72.41 110.167 175.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -174.46 -66.96 0.05 OUTLIER Glycine 0 C--N 1.339 0.719 0 N-CA-C 111.011 -0.836 . . . . 75.11 111.011 -178.418 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.16 126.42 1.14 Allowed Glycine 0 C--N 1.345 1.042 0 CA-C-O 120.115 -0.27 . . . . 51.35 112.429 -177.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 430' ' ' ASP . 3.6 mp -91.4 159.68 2.78 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 107.645 -1.243 . . . . 73.22 107.645 173.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.1 pm0 -84.82 138.79 32.36 Favored 'General case' 0 N--CA 1.483 1.182 0 N-CA-C 109.43 -0.581 . . . . 73.12 109.43 171.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.38 173.0 36.9 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 112.294 -0.322 . . . . 54.4 112.294 -179.315 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 16.3 t -69.65 -13.14 62.16 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.73 0.812 . . . . 51.03 112.033 -178.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -56.4 -35.59 44.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.761 0.824 . . . . 73.11 110.285 170.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.4 ' HA ' HD13 ' A' ' 113' ' ' ILE . 16.8 t70 -55.42 -52.76 62.53 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.715 0.806 . . . . 73.24 111.07 171.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 38.0 mt-10 -66.85 -38.97 87.4 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-N 114.615 -1.175 . . . . 73.44 111.112 -173.355 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 6.1 t -70.76 -36.26 73.01 Favored 'General case' 0 N--CA 1.475 0.794 0 N-CA-C 110.199 -0.297 . . . . 64.52 110.199 -179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . . . . . . . . . 25.1 t -65.31 -44.52 94.83 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.664 0 C-N-CA 123.021 0.528 . . . . 70.41 109.993 174.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -65.82 -47.41 75.16 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 123.547 0.739 . . . . 75.3 111.701 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 21.2 mmt180 -76.48 -36.41 57.87 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 122.74 0.416 . . . . 75.21 110.96 -173.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -74.46 -26.13 59.84 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-O 119.215 -0.422 . . . . 71.21 110.914 174.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -73.98 -31.02 62.79 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 122.793 0.437 . . . . 41.21 109.868 171.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -61.63 -51.15 69.68 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 109.033 -0.729 . . . . 60.14 109.033 172.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 25.1 mm-40 -65.78 -38.91 90.31 Favored 'General case' 0 CA--C 1.549 0.927 0 CA-C-N 116.143 -0.48 . . . . 64.5 110.74 179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -69.79 -64.37 0.9 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.707 0.403 . . . . 73.0 110.284 -177.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 36.1 m -57.91 -36.48 72.5 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.006 0.922 . . . . 64.43 112.466 -175.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -71.53 -44.07 65.3 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 122.433 0.293 . . . . 72.32 111.787 178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.513 HD12 HD21 ' A' ' 34' ' ' LEU . 10.6 mp -72.68 -19.7 61.37 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 122.359 0.263 . . . . 74.22 111.1 174.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -82.36 -45.78 14.44 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.275 1.03 . . . . 72.42 110.598 -178.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 15.0 t -68.51 -31.25 70.37 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 109.359 -0.608 . . . . 73.14 109.359 175.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.624 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.6 ttt -62.19 -46.84 87.14 Favored 'General case' 0 C--N 1.359 0.994 0 CA-C-N 115.731 -0.668 . . . . 75.15 109.479 170.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.56 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 7.2 ttm -63.33 -44.61 94.42 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.143 0.902 . . . . 74.13 112.517 -176.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 34.2 p -64.27 -40.61 96.33 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 122.745 0.418 . . . . 73.14 110.423 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -70.6 -41.36 72.4 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 115.963 -0.562 . . . . 64.23 111.584 176.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.624 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -75.62 -21.57 57.64 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 118.15 0.432 . . . . 72.21 110.507 -175.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -71.48 -48.65 47.83 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 108.933 -0.765 . . . . 74.5 108.933 172.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 59.8 t30 -60.48 -47.99 83.72 Favored 'General case' 0 C--N 1.356 0.867 0 O-C-N 124.57 1.169 . . . . 74.02 110.084 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 40.2 p -62.14 -62.01 2.07 Favored 'General case' 0 C--O 1.217 -0.64 0 CA-C-N 115.243 -0.89 . . . . 63.01 109.781 -178.463 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 85.0 p -51.02 -32.12 20.46 Favored 'General case' 0 N--CA 1.49 1.54 0 C-N-CA 123.665 0.786 . . . . 71.4 112.873 -178.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 26.8 t -62.11 -61.96 2.11 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 123.298 0.639 . . . . 73.14 110.755 176.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 4.8 p90 -73.18 -20.19 60.94 Favored 'General case' 0 N--CA 1.479 0.999 0 N-CA-C 112.156 0.428 . . . . 72.34 112.156 -178.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.629 HD21 HG23 ' A' ' 44' ' ' ILE . 39.4 mt -73.09 -42.02 63.43 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.488 0.715 . . . . 55.2 110.621 178.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 14.5 t -74.13 -32.98 63.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 123.194 0.309 . . . . 72.44 110.409 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -66.7 -46.68 74.78 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.776 0.43 . . . . 62.43 110.85 172.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -66.61 -32.47 73.81 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.517 0.727 . . . . 74.43 110.8 177.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -62.85 -54.9 31.75 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 123.415 0.686 . . . . 71.34 109.534 177.106 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 30.2 m -65.41 -34.34 78.08 Favored 'General case' 0 CA--C 1.544 0.745 0 O-C-N 124.105 0.878 . . . . 75.01 111.132 -175.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -78.57 -54.6 5.96 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 122.712 0.405 . . . . 71.14 111.71 -177.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 47.5 ttp -64.57 -31.49 72.73 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 122.167 0.187 . . . . 62.23 110.724 -176.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.3 t-20 -74.02 -71.52 0.32 Allowed 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 109.392 -0.595 . . . . 71.45 109.392 173.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.47 77.71 1.6 Allowed 'General case' 0 CA--C 1.565 1.546 0 N-CA-C 112.384 0.512 . . . . 75.42 112.384 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 12.3 t . . . . . 0 N--CA 1.483 1.202 0 O-C-N 121.542 -0.724 . . . . 74.32 109.192 166.77 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.6 ptt? . . . . . 0 N--CA 1.481 1.096 0 N-CA-C 109.867 -0.419 . . . . 54.32 109.867 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.6 p -54.79 -57.46 11.47 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.174 0.989 . . . . 65.03 113.414 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.9 m -63.93 -37.21 86.56 Favored 'General case' 0 CA--C 1.552 1.034 0 C-N-CA 123.625 0.77 . . . . 73.35 111.673 -175.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.413 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 20.8 m -78.2 -34.76 49.23 Favored 'General case' 0 CA--C 1.548 0.868 0 CA-C-N 115.848 -0.615 . . . . 70.21 111.538 -176.415 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.1 p -75.44 -39.56 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 CA-C-N 118.145 0.43 . . . . 52.21 110.533 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -64.61 -39.93 94.59 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 109.505 -0.554 . . . . 73.51 109.505 176.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.413 ' HB3' ' O ' ' A' ' 4' ' ' THR . 74.9 t80 -50.42 -54.24 23.43 Favored 'General case' 0 CA--C 1.564 1.496 0 C-N-CA 124.182 0.993 . . . . 75.23 110.876 170.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.452 HG12 HG23 ' A' ' 60' ' ' ILE . 96.5 mt -56.03 -61.28 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.453 0 C-N-CA 124.512 1.125 . . . . 74.25 112.202 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.516 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 59.0 m-80 -65.94 -36.74 84.19 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 115.93 -0.577 . . . . 74.34 112.21 -170.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.465 ' O ' HG13 ' A' ' 14' ' ' ILE . 49.9 mtm180 -73.34 -41.02 63.97 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 118.893 -0.575 . . . . 65.51 111.256 -177.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.418 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 58.3 m95 -60.77 -36.88 80.07 Favored 'General case' 0 N--CA 1.489 1.487 0 CA-C-N 118.064 0.393 . . . . 73.13 110.85 173.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 64.1 tt0 -59.16 -44.3 92.13 Favored 'General case' 0 C--N 1.347 0.458 0 CA-C-N 115.608 -0.723 . . . . 71.55 109.929 174.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 49.6 mmt-85 -62.91 -43.47 98.71 Favored 'General case' 0 C--O 1.21 -1.008 0 O-C-N 123.485 0.49 . . . . 73.44 110.849 176.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 10' ' ' ARG . 98.7 mt -58.01 -42.18 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 C-N-CA 123.88 0.872 . . . . 73.21 110.92 -176.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.91 -44.13 66.84 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.016 0.527 . . . . 33.11 112.231 179.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 98.1 mt -64.35 -45.21 88.79 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.275 0.63 . . . . 71.22 110.855 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.497 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.8 mt -67.89 -48.08 67.05 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.075 0.95 . . . . 72.11 109.981 -177.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.473 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 61.4 p -56.28 -42.85 78.14 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 123.795 0.684 . . . . 71.42 111.431 -179.306 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -60.34 -48.81 80.14 Favored 'General case' 0 C--O 1.245 0.846 0 O-C-N 124.361 1.038 . . . . 74.32 111.194 176.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.401 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 69.1 m -59.95 -60.13 4.32 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 114.881 -1.054 . . . . 74.12 111.293 -179.079 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.631 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.1 pp -68.71 -19.85 64.38 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.78 0.832 . . . . 61.52 112.103 -174.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 64.1 tp -63.61 -55.41 23.91 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.626 -0.509 . . . . 74.43 109.626 170.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -66.61 -24.63 66.35 Favored 'General case' 0 CA--C 1.548 0.883 0 O-C-N 124.171 0.92 . . . . 73.12 111.519 -179.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 21' ' ' LEU . 84.8 mt -74.13 -44.92 51.91 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.674 0.79 . . . . 71.11 110.448 175.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.558 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -66.16 -35.91 81.71 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.406 0.682 . . . . 74.14 110.88 178.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -68.26 -39.15 82.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.872 1.269 . . . . 64.1 110.394 178.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HB3' ' HG2' ' A' ' 29' ' ' GLU . 0.0 OUTLIER -75.41 -25.94 57.97 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 123.44 0.696 . . . . 65.11 110.812 177.311 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.76 7.46 55.47 Favored Glycine 0 C--N 1.348 1.232 0 O-C-N 123.633 0.583 . . . . 60.4 113.072 -176.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.438 ' HG2' ' HB3' ' A' ' 27' ' ' ARG . 6.1 mm-40 -73.78 90.93 1.89 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 123.565 0.746 . . . . 64.53 109.666 175.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.2 m95 -82.22 -34.37 28.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.238 0.615 . . . . 72.1 112.01 -174.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.85 -43.12 99.49 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.928 0.491 . . . . 72.42 109.803 178.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.448 ' HB3' HD13 ' A' ' 24' ' ' LEU . 71.4 mt -75.26 -36.17 61.28 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.164 -0.926 . . . . 73.34 111.248 178.623 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.631 HD12 ' HB2' ' A' ' 21' ' ' LEU . 58.0 tp -56.0 -51.2 68.59 Favored 'General case' 0 N--CA 1.491 1.583 0 C-N-CA 123.147 0.579 . . . . 73.14 110.557 175.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.492 HD21 HD12 ' A' ' 443' ' ' LEU . 64.2 mt -78.97 -19.91 50.5 Favored 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 114.721 -1.127 . . . . 74.52 111.627 -175.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -69.94 -37.57 75.92 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 122.859 0.463 . . . . 72.42 110.534 171.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.425 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 76.3 mm-40 -86.62 -25.84 24.72 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 122.742 0.417 . . . . 71.31 110.932 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -44.44 -57.71 3.4 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 125.809 1.644 . . . . 64.4 112.261 174.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.2 m -56.59 -49.63 76.96 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 CA-C-N 114.475 -1.239 . . . . 54.55 111.788 -172.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 16.5 m -67.57 -44.44 78.23 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.582 0.753 . . . . 75.33 110.915 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.473 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 31.9 t80 -59.26 -60.89 3.14 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 125.259 1.423 . . . . 72.33 112.065 -175.205 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.7 mt -60.88 -40.9 94.77 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 124.04 0.838 . . . . 73.11 110.205 -179.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -59.56 -38.81 82.11 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.158 0.583 . . . . 74.54 111.756 178.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -65.61 -41.91 92.22 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.321 0.649 . . . . 61.11 111.027 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.509 HG23 HD21 ' A' ' 457' ' ' LEU . 57.9 mt -63.27 -42.57 96.9 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.083 0 CA-C-O 121.884 0.85 . . . . 55.31 110.216 175.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -65.99 -37.17 85.28 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 114.943 -1.026 . . . . 63.52 111.795 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.0 t -84.68 -26.4 27.78 Favored 'General case' 0 CA--C 1.552 1.053 0 N-CA-C 112.525 0.565 . . . . 73.33 112.525 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.7 m -70.85 -37.5 68.78 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 CA-C-N 118.709 0.686 . . . . 70.35 109.94 171.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mmt -80.71 -18.25 48.47 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 116.057 -0.52 . . . . 62.11 111.993 177.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -67.15 -34.43 77.55 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 124.046 0.938 . . . . 50.13 109.761 170.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -89.2 9.38 25.94 Favored 'General case' 0 CA--C 1.556 1.202 0 CA-C-N 114.886 -1.052 . . . . 72.12 110.168 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 71.2 -0.4 3.1 Favored 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 126.123 1.769 . . . . 74.01 112.942 168.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.41 HG23 ' HE1' ' A' ' 7' ' ' PHE . 93.9 m 57.11 90.37 0.09 OUTLIER Pre-proline 0 CA--C 1.56 1.362 0 C-N-CA 124.308 1.043 . . . . 65.03 110.324 -167.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.468 ' O ' HG12 ' A' ' 56' ' ' ILE . 53.1 Cg_exo -53.75 130.18 37.75 Favored 'Trans proline' 0 C--N 1.386 2.517 0 C-N-CA 122.99 2.46 . . . . 71.41 111.844 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -77.61 2.63 7.61 Favored 'Trans proline' 0 C--N 1.37 1.702 0 C-N-CA 122.203 1.935 . . . . 72.02 113.773 -175.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.82 35.17 4.06 Favored Glycine 0 C--N 1.349 1.296 0 C-N-CA 122.867 0.27 . . . . 43.11 113.14 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 53' ' ' PRO . 36.6 mm -84.57 121.09 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.622 0 C-N-CA 124.086 0.954 . . . . 74.05 109.539 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 14.8 t -81.69 174.15 11.65 Favored 'General case' 0 CA--C 1.553 1.061 0 C-N-CA 122.897 0.479 . . . . 73.43 110.663 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.441 ' HD2' ' N ' ' A' ' 59' ' ' SER . 7.0 ppt_? -67.47 -34.89 78.1 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 113.491 0.923 . . . . 72.24 113.491 -165.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.441 ' N ' ' HD2' ' A' ' 58' ' ' ARG . 48.5 t -69.85 -40.11 75.99 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-O 121.234 0.54 . . . . 53.13 110.333 -178.229 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.545 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 74.4 mt -72.35 -39.91 64.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 CA-C-N 114.999 -1.001 . . . . 72.21 109.987 -179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -61.22 -41.06 96.2 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.919 0.888 . . . . 62.4 110.5 175.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -62.61 -48.84 77.67 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 123.792 0.683 . . . . 72.12 110.899 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.545 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 54.8 mtm -57.2 -53.66 55.56 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 123.689 0.618 . . . . 74.3 110.584 178.725 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 68' ' ' ILE . 19.6 m -75.1 -23.8 17.43 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 CA-C-N 115.91 -0.586 . . . . 74.44 112.488 -173.156 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.27 81.54 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 109.34 -0.615 . . . . 62.34 109.34 171.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.77 -40.88 97.72 Favored Glycine 0 C--N 1.351 1.394 0 CA-C-N 115.554 -0.748 . . . . 70.43 112.055 171.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CD1' ' HA ' ' A' ' 64' ' ' VAL . 23.4 m-85 -67.75 -39.06 84.22 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.012 0.525 . . . . 61.05 111.882 -179.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.513 HG13 ' O ' ' A' ' 64' ' ' VAL . 70.3 mt -70.74 -41.37 77.54 Favored 'Isoleucine or valine' 0 C--N 1.358 0.971 0 N-CA-C 108.981 -0.748 . . . . 74.43 108.981 177.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 30.1 ttpt -54.84 -47.79 73.7 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.416 0.686 . . . . 71.33 111.189 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -63.63 -48.26 77.99 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.475 -0.784 . . . . 74.3 110.716 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 68' ' ' ILE . 2.2 t -69.24 -26.91 65.02 Favored 'General case' 0 CA--C 1.544 0.747 0 O-C-N 123.366 0.416 . . . . 74.01 111.128 -175.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 68' ' ' ILE . 60.0 mt -69.36 -46.43 67.01 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 122.714 0.406 . . . . 72.54 110.405 175.64 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -57.17 -58.35 8.6 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.435 1.084 . . . . 70.1 110.426 178.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -62.79 -44.86 95.07 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.136 -0.938 . . . . 51.23 111.941 -173.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.594 ' HA ' HD12 ' A' ' 78' ' ' LEU . 42.6 tt0 -76.21 -23.95 54.65 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.546 0.738 . . . . 64.22 112.271 -174.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -73.0 -37.76 66.85 Favored 'General case' 0 N--CA 1.488 1.458 0 CA-C-O 121.038 0.446 . . . . 73.13 110.11 171.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.3 mt -65.88 -34.87 79.12 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 115.679 -0.692 . . . . 54.4 110.348 174.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.594 HD12 ' HA ' ' A' ' 75' ' ' GLU . 87.4 mt -65.12 -44.66 88.0 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.158 0.583 . . . . 71.13 110.564 172.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 83' ' ' GLN . 63.0 tttp -51.03 -54.45 24.56 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.994 0.918 . . . . 61.42 110.609 -178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.01 -44.08 37.91 Favored Glycine 0 CA--C 1.538 1.488 0 N-CA-C 114.616 0.607 . . . . 51.33 114.616 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.9 tt -63.54 -53.62 48.93 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 123.446 0.698 . . . . 74.21 110.027 -177.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 77.8 mt -67.7 -26.12 66.02 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.602 -0.726 . . . . 63.25 110.993 179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.402 ' HB2' ' O ' ' A' ' 79' ' ' LYS . 7.6 tt0 -62.48 -44.2 96.96 Favored 'General case' 0 N--CA 1.49 1.529 0 CA-C-N 118.476 0.58 . . . . 63.3 110.54 173.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 mt-30 -58.02 -51.2 70.66 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 124.124 0.89 . . . . 60.3 109.316 174.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -55.52 -45.42 77.13 Favored 'General case' 0 C--N 1.354 0.78 0 O-C-N 124.307 1.004 . . . . 74.21 111.532 -178.514 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 60.7 mt -71.7 -34.55 69.72 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 122.939 0.496 . . . . 71.31 111.519 -176.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -67.38 -38.52 84.86 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.135 0.574 . . . . 72.33 110.209 177.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.421 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 40.2 mt-10 -66.22 -55.72 14.85 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.064 -0.971 . . . . 64.23 109.926 177.033 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.412 ' O ' HG13 ' A' ' 93' ' ' ILE . 94.0 mt -58.09 -44.79 87.81 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 124.06 0.944 . . . . 74.41 110.607 -178.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 40.6 t -57.64 -46.85 83.64 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.787 0.835 . . . . 73.32 111.654 177.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.8 t -63.84 -36.26 83.32 Favored 'General case' 0 CA--C 1.549 0.93 0 CA-C-N 115.735 -0.666 . . . . 73.22 110.948 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 94.0 mt -70.0 -43.19 71.9 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.417 0.687 . . . . 74.32 110.982 177.679 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 89' ' ' LEU . 96.4 mt -61.83 -40.39 86.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 124.549 1.139 . . . . 74.42 110.124 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -61.81 -27.1 67.91 Favored Glycine 0 C--N 1.347 1.166 0 O-C-N 123.193 0.308 . . . . 72.3 113.575 -178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -78.87 -42.9 26.23 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 123.507 0.723 . . . . 73.4 111.292 179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.495 HG23 HG22 ' A' ' 433' ' ' VAL . 16.1 m -101.95 -16.18 7.45 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.305 0 N-CA-C 113.726 1.01 . . . . 74.53 113.726 -168.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.559 ' HG ' HG11 ' A' ' 433' ' ' VAL . 3.4 tt -88.18 115.51 25.72 Favored 'General case' 0 N--CA 1.484 1.268 0 N-CA-C 107.727 -1.212 . . . . 75.21 107.727 177.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -113.28 117.76 32.75 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 108.124 -1.065 . . . . 72.23 108.124 174.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.79 7.04 3.75 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.075 0.95 . . . . 72.24 110.288 177.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 165.92 -76.7 0.14 Allowed Glycine 0 C--N 1.344 1.016 0 N-CA-C 110.569 -1.013 . . . . 54.15 110.569 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.66 152.65 67.52 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 123.393 2.728 . . . . 71.21 112.627 175.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 66.8 m 62.25 21.34 12.41 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.916 1.286 . . . . 61.34 112.254 -175.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -146.43 127.93 15.04 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 123.548 0.739 . . . . 72.32 109.423 179.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.57 -39.53 93.92 Favored Glycine 0 C--N 1.349 1.258 0 O-C-N 123.694 0.621 . . . . 62.31 112.521 178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 pp -82.99 178.72 8.02 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.936 0.894 . . . . 75.43 110.992 173.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 39.2 t -101.0 99.34 10.31 Favored Pre-proline 0 CA--C 1.557 1.22 0 N-CA-C 108.379 -0.971 . . . . 64.42 108.379 174.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -97.24 28.6 0.18 Allowed 'Trans proline' 0 C--N 1.373 1.853 0 C-N-CA 123.804 3.003 . . . . 54.1 113.193 179.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 49.7 ttp180 -75.46 81.59 2.51 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 121.6 0.714 . . . . 72.33 109.942 178.511 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.92 60.01 0.52 Allowed Glycine 0 C--N 1.341 0.837 0 N-CA-C 110.69 -0.964 . . . . 73.5 110.69 177.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 12.9 m -69.75 79.73 0.44 Allowed 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 124.26 1.024 . . . . 54.44 110.578 -177.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 173.07 -42.28 0.16 Allowed Glycine 0 C--N 1.338 0.666 0 CA-C-N 115.267 -0.878 . . . . 73.4 111.698 -174.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -178.5 86.64 0.07 OUTLIER Glycine 0 C--N 1.348 1.206 0 N-CA-C 112.455 -0.258 . . . . 62.35 112.455 -178.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' A' ' 430' ' ' ASP . 46.9 mt -72.45 159.25 5.83 Favored 'Isoleucine or valine' 0 CA--C 1.565 1.528 0 C-N-CA 123.927 0.891 . . . . 71.15 109.169 173.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.38 158.32 15.51 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 121.803 -0.561 . . . . 75.32 110.072 176.115 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 85.48 -179.59 50.47 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 123.098 0.249 . . . . 40.53 113.136 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 24.2 t -72.58 -19.35 61.5 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.823 0.849 . . . . 65.34 111.49 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.91 -45.04 79.81 Favored 'Isoleucine or valine' 0 C--N 1.362 1.111 0 C-N-CA 123.836 0.855 . . . . 72.2 110.549 175.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . 0.463 ' HB2' ' HB ' ' A' ' 113' ' ' ILE . 29.2 t70 -55.61 -54.12 48.07 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.423 0.689 . . . . 74.14 111.284 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.48 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 55.6 mt-10 -63.8 -52.61 59.45 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 124.717 1.26 . . . . 43.25 111.511 -173.003 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 11.6 t -60.21 -47.64 85.11 Favored 'General case' 0 CA--C 1.549 0.928 0 O-C-N 123.393 0.433 . . . . 74.21 111.183 -176.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.559 HG11 ' HG ' ' A' ' 97' ' ' LEU . 75.3 t -63.88 -44.03 97.95 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 123.202 0.601 . . . . 63.41 110.577 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -61.92 -31.84 72.19 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.256 0.622 . . . . 63.15 112.053 -179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.48 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 38.6 mmt-85 -72.3 -44.7 62.35 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 122.542 0.337 . . . . 74.54 110.444 178.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -64.87 -35.59 81.61 Favored 'General case' 0 N--CA 1.482 1.157 0 O-C-N 123.198 0.311 . . . . 74.5 110.905 175.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -73.0 -40.92 64.8 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.989 0.915 . . . . 71.33 110.562 -178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.7 72.76 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.866 0.467 . . . . 72.03 110.595 178.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 33.4 mm-40 -60.08 -41.04 91.62 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.073 0.549 . . . . 72.15 111.54 176.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -59.31 -55.29 36.66 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.538 0.523 . . . . 74.43 109.983 177.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 90.5 m -64.87 -33.38 75.87 Favored 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 124.664 1.186 . . . . 74.24 112.437 -173.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 24.3 mt-30 -76.53 -45.41 30.9 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.378 0.671 . . . . 74.52 111.538 -178.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.492 HD12 HD21 ' A' ' 34' ' ' LEU . 9.4 mp -71.4 -19.62 62.24 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 122.665 0.386 . . . . 40.2 110.353 173.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -76.2 -48.75 19.27 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 124.359 1.064 . . . . 71.41 111.029 178.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.1 t -68.06 -34.48 76.54 Favored 'General case' 0 C--N 1.359 1.008 0 N-CA-C 109.8 -0.445 . . . . 62.21 109.8 177.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.591 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.0 ttt -61.25 -44.61 96.97 Favored 'General case' 0 C--N 1.356 0.889 0 O-C-N 123.711 0.632 . . . . 72.05 109.589 173.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.615 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 45.6 ttm -66.93 -47.22 72.37 Favored 'General case' 0 C--N 1.357 0.927 0 O-C-N 124.109 0.88 . . . . 75.43 112.569 -176.565 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 16.3 p -60.99 -41.16 95.93 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 122.949 0.5 . . . . 74.32 110.674 -178.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -70.8 -41.87 71.03 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-N 115.385 -0.825 . . . . 53.3 111.348 175.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.615 ' HG ' ' HA ' ' A' ' 447' ' ' MET . 1.9 pp -74.94 -18.39 60.41 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-N 118.268 0.486 . . . . 54.41 110.987 -176.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -79.96 -43.77 21.46 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.688 0.795 . . . . 73.15 109.412 176.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 39.0 t30 -59.85 -50.15 74.93 Favored 'General case' 0 C--O 1.248 0.996 0 CA-C-N 115.206 -0.906 . . . . 54.01 110.032 174.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 59.2 p -61.22 -57.96 10.25 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-N 115.032 -0.985 . . . . 40.24 110.101 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 81.4 p -50.03 -37.42 32.98 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.835 0.854 . . . . 71.01 112.786 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 22.9 t -59.56 -60.78 3.29 Favored 'General case' 0 C--O 1.248 1.026 0 O-C-N 124.143 0.902 . . . . 72.33 111.114 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -75.32 -19.33 59.7 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 112.647 0.61 . . . . 72.25 112.647 -177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.509 HD21 HG23 ' A' ' 44' ' ' ILE . 47.5 mt -75.11 -42.47 56.46 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.504 0.722 . . . . 61.12 110.496 179.226 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.4 t -72.25 -31.33 65.7 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 109.969 -0.382 . . . . 61.43 109.969 178.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 18.2 mt-30 -65.93 -44.02 86.36 Favored 'General case' 0 CA--C 1.552 1.021 0 C-N-CA 122.734 0.413 . . . . 62.24 111.051 170.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -69.8 -28.05 65.4 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.532 0.733 . . . . 64.03 110.802 178.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -72.56 -48.51 39.52 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.87 0.468 . . . . 64.43 110.167 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 45.5 m -57.37 -42.52 82.25 Favored 'General case' 0 C--N 1.35 0.597 0 O-C-N 124.312 1.008 . . . . 70.53 110.082 176.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.0 -47.85 56.5 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 123.741 0.65 . . . . 62.21 112.404 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.423 ' SD ' HG23 ' A' ' 64' ' ' VAL . 55.6 ttm -66.6 -31.63 72.44 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 122.857 0.463 . . . . 74.04 110.621 -173.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -84.82 -63.84 1.26 Allowed 'General case' 0 CA--C 1.559 1.301 0 CA-C-N 115.879 -0.601 . . . . 72.55 109.884 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.58 81.74 2.0 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.269 0.628 . . . . 74.13 112.181 174.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 19.1 p . . . . . 0 C--O 1.253 1.278 0 O-C-N 121.275 -0.891 . . . . 75.43 110.383 166.803 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.7 ttp . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.516 -0.92 . . . . 75.24 108.516 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.443 ' HA ' HG12 ' A' ' 5' ' ' VAL . 18.1 p -60.48 -48.85 79.97 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.479 1.112 . . . . 74.45 113.762 -168.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 m -58.92 -43.86 91.18 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 121.576 0.703 . . . . 62.14 111.902 -177.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.412 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 61.1 m -75.72 -35.62 60.21 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 115.325 -0.852 . . . . 74.14 111.597 -177.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.443 HG12 ' HA ' ' A' ' 2' ' ' THR . 9.8 p -74.79 -39.82 46.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 O-C-N 122.048 -0.408 . . . . 60.13 110.677 -178.212 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.43 -36.64 84.55 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 121.478 0.656 . . . . 73.12 109.906 177.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.412 ' HB3' ' O ' ' A' ' 4' ' ' THR . 74.8 t80 -53.92 -61.37 2.35 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 114.848 -1.069 . . . . 65.5 110.742 171.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.414 HG12 HG23 ' A' ' 60' ' ' ILE . 94.1 mt -57.96 -55.6 20.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 C-N-CA 124.19 0.996 . . . . 72.5 111.942 -177.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -53.65 -48.31 69.52 Favored 'General case' 0 N--CA 1.481 1.084 0 CA-C-N 114.754 -1.112 . . . . 71.22 112.387 -176.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.482 ' O ' HG13 ' A' ' 14' ' ' ILE . 21.4 mtm180 -80.57 -26.11 38.15 Favored 'General case' 0 C--O 1.217 -0.621 0 CA-C-O 118.249 -0.881 . . . . 72.52 111.813 -174.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.441 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 47.0 m95 -66.63 -39.04 88.11 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 119.146 0.885 . . . . 55.32 110.222 171.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.4 tt0 -57.46 -46.13 83.99 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 123.715 0.635 . . . . 62.5 109.965 171.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 85.0 mmt-85 -58.82 -45.57 89.65 Favored 'General case' 0 C--O 1.214 -0.808 0 CA-C-N 115.569 -0.741 . . . . 74.42 110.991 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 10' ' ' ARG . 93.2 mt -57.39 -44.13 83.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.072 0 C-N-CA 123.771 0.829 . . . . 64.32 110.748 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.73 -43.1 76.65 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 112.53 0.567 . . . . 73.11 112.53 178.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 93.0 mt -64.83 -46.28 82.6 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 116.058 -0.519 . . . . 74.43 111.348 -179.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.448 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 89.5 mt -68.13 -46.15 71.65 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.953 0.901 . . . . 75.2 109.917 -175.024 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.537 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 48.0 p -58.58 -47.5 84.06 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.759 0.662 . . . . 72.14 111.135 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.39 -46.72 83.13 Favored 'General case' 0 C--O 1.243 0.735 0 O-C-N 124.389 1.056 . . . . 74.4 111.758 177.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.464 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 70.3 m -61.29 -60.09 4.27 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 115.505 -0.771 . . . . 72.45 110.391 -179.513 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.612 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -66.24 -23.21 66.38 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 123.268 0.627 . . . . 72.11 111.868 -175.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 74' ' ' ASN . 51.6 tp -62.2 -55.98 23.18 Favored 'General case' 0 C--N 1.351 0.654 0 N-CA-C 109.312 -0.625 . . . . 70.53 109.312 173.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -62.09 -35.3 78.27 Favored 'General case' 0 N--CA 1.468 0.457 0 O-C-N 124.398 1.061 . . . . 73.3 111.065 -178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.587 HD13 ' HB3' ' A' ' 32' ' ' LEU . 69.3 mt -65.89 -46.39 78.51 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.505 0.722 . . . . 73.35 110.542 177.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.54 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -67.21 -34.91 78.5 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.987 0.915 . . . . 64.52 111.935 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -76.77 -25.45 53.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.477 1.111 . . . . 75.23 110.494 -178.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.4 mmm180 -77.94 -25.24 48.17 Favored 'General case' 0 CA--C 1.548 0.895 0 CA-C-N 115.656 -0.702 . . . . 74.34 110.456 168.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.16 0.88 47.95 Favored Glycine 0 C--N 1.349 1.279 0 CA-C-N 115.934 -0.575 . . . . 71.41 113.237 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -74.14 83.27 1.81 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.508 0.723 . . . . 74.14 109.892 171.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.429 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 34.2 m95 -67.03 -35.91 80.93 Favored 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 114.951 -1.022 . . . . 73.43 110.707 177.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -56.69 -46.96 80.88 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 123.761 0.663 . . . . 62.32 110.963 179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.587 ' HB3' HD13 ' A' ' 24' ' ' LEU . 75.2 mt -73.29 -34.73 65.91 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 115.374 -0.83 . . . . 61.13 111.058 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.612 HD12 ' HB2' ' A' ' 21' ' ' LEU . 33.7 tp -54.4 -52.83 60.48 Favored 'General case' 0 N--CA 1.486 1.371 0 C-N-CA 123.888 0.875 . . . . 71.42 111.21 171.026 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD21 HD12 ' A' ' 443' ' ' LEU . 65.9 mt -70.64 -28.42 64.81 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.718 1.207 . . . . 54.25 111.444 -174.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -59.89 -45.34 92.8 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.417 0.627 . . . . 74.4 109.77 172.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.554 ' HB2' ' HB3' ' A' ' 21' ' ' LEU . 89.7 mm-40 -87.57 -14.16 40.93 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.871 -1.059 . . . . 72.33 111.942 -176.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -52.83 -57.77 9.1 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 124.551 1.14 . . . . 73.41 110.929 179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 m -58.58 -41.38 81.87 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.74 0 CA-C-N 114.223 -1.353 . . . . 74.43 111.422 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.3 m -64.19 -45.15 89.59 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.558 0.743 . . . . 61.33 110.568 -178.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.537 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 17.8 t80 -67.35 -60.62 2.43 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 114.505 -1.225 . . . . 62.53 111.466 -174.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.46 -39.06 86.2 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 123.883 0.739 . . . . 74.55 110.72 -177.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -62.89 -40.23 96.89 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.279 0.632 . . . . 65.34 111.369 178.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 68.0 m -62.1 -40.16 94.92 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 122.64 0.376 . . . . 75.32 111.262 176.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.411 HG23 HD21 ' A' ' 457' ' ' LEU . 57.2 mt -64.78 -42.33 94.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 CA-C-O 121.229 0.538 . . . . 64.05 110.256 174.622 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -62.9 -46.19 88.97 Favored 'General case' 0 C--O 1.219 -0.514 0 CA-C-N 115.633 -0.712 . . . . 71.31 111.277 -178.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.4 t -72.69 -33.45 66.52 Favored 'General case' 0 CA--C 1.551 0.984 0 N-CA-C 112.346 0.499 . . . . 73.05 112.346 -173.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.6 m -68.68 -33.17 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 CA-C-N 118.328 0.513 . . . . 74.12 110.707 173.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 24.4 mmt -81.58 -20.34 40.07 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 112.486 0.55 . . . . 74.04 112.486 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -77.21 -31.07 54.99 Favored 'General case' 0 N--CA 1.488 1.43 0 C-N-CA 123.011 0.524 . . . . 73.41 110.533 174.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 tppp? -84.82 -5.39 59.33 Favored 'General case' 0 CA--C 1.556 1.205 0 CA-C-N 115.807 -0.633 . . . . 72.34 109.821 171.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 65.34 14.0 9.16 Favored 'General case' 0 N--CA 1.491 1.576 0 C-N-CA 125.808 1.643 . . . . 73.03 113.387 167.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.407 HG23 ' CE1' ' A' ' 7' ' ' PHE . 71.0 m 64.59 113.63 0.03 OUTLIER Pre-proline 0 CA--C 1.561 1.395 0 C-N-CA 124.403 1.081 . . . . 63.55 110.816 -170.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.491 ' HG2' HD11 ' A' ' 56' ' ' ILE . 33.3 Cg_endo -63.12 146.62 94.42 Favored 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.572 2.182 . . . . 75.41 111.771 173.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 10.5 Cg_exo -72.91 -15.28 26.44 Favored 'Trans proline' 0 C--N 1.373 1.832 0 C-N-CA 122.98 2.453 . . . . 72.21 113.209 177.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -84.51 59.77 4.89 Favored Glycine 0 C--N 1.347 1.189 0 C-N-CA 123.008 0.337 . . . . 73.43 112.894 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.491 HD11 ' HG2' ' A' ' 53' ' ' PRO . 43.9 mm -118.77 109.78 27.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 124.438 1.095 . . . . 64.12 108.82 -179.233 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 9.4 t -76.39 172.5 12.82 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.331 0.653 . . . . 73.32 110.47 177.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.22 -27.29 66.24 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.527 0.731 . . . . 72.04 112.141 -171.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.402 ' O ' ' HG3' ' A' ' 63' ' ' MET . 34.8 t -71.15 -47.12 59.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.22 0.608 . . . . 72.11 109.807 178.419 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.616 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 89.7 mt -64.19 -42.99 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 CA-C-N 115.604 -0.725 . . . . 53.42 110.2 178.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -51.36 -50.9 58.6 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.591 1.157 . . . . 75.35 110.748 173.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -64.06 -43.92 94.02 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 115.487 -0.779 . . . . 65.42 111.346 -176.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.616 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 35.1 mtm -60.36 -59.79 4.85 Favored 'General case' 0 N--CA 1.481 1.1 0 O-C-N 123.455 0.472 . . . . 75.05 110.159 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.561 ' O ' HG13 ' A' ' 68' ' ' ILE . 29.9 m -64.99 -37.59 80.65 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.148 0 CA-C-N 115.451 -0.795 . . . . 70.53 111.667 -173.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.14 -32.17 73.72 Favored 'General case' 0 N--CA 1.481 1.075 0 CA-C-N 118.07 0.395 . . . . 74.2 110.645 177.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.409 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -62.74 -45.89 94.81 Favored Glycine 0 C--N 1.347 1.148 0 N-CA-C 111.556 -0.618 . . . . 74.22 111.556 170.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.448 ' HD1' ' HA ' ' A' ' 64' ' ' VAL . 37.5 m-85 -64.47 -33.48 75.98 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 122.998 0.519 . . . . 73.45 111.717 177.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 64' ' ' VAL . 73.2 mt -69.52 -44.25 79.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.802 0 N-CA-C 108.722 -0.844 . . . . 71.02 108.722 178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -61.3 -40.4 94.03 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.126 0.57 . . . . 73.5 110.773 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.409 ' HG3' ' O ' ' A' ' 66' ' ' GLY . 26.1 mt-30 -62.66 -49.63 74.37 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.858 -0.61 . . . . 73.24 110.529 176.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.423 HG22 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -68.75 -30.07 68.6 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 115.244 -0.889 . . . . 62.14 111.021 -174.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.6 mt -68.23 -39.63 82.28 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 123.875 0.87 . . . . 53.25 110.757 175.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -62.72 -50.9 69.29 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.887 0.742 . . . . 52.14 109.95 178.226 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.401 ' HA ' HD22 ' A' ' 22' ' ' LEU . 12.1 m120 -62.46 -45.36 93.42 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 114.864 -1.062 . . . . 73.11 110.726 -178.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.5 tt0 -77.54 -20.73 53.7 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.22 1.008 . . . . 74.53 111.75 -176.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -69.48 -41.07 76.66 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.222 0.609 . . . . 64.34 109.59 171.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 93.4 mt -69.7 -37.14 76.49 Favored 'General case' 0 C--O 1.217 -0.643 0 CA-C-N 114.966 -1.016 . . . . 74.24 110.6 175.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 75' ' ' GLU . 94.1 mt -63.28 -39.41 94.51 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.008 0.523 . . . . 62.54 110.095 174.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -57.39 -56.04 26.98 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.418 0.687 . . . . 71.23 109.962 178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.7 -57.29 12.89 Favored Glycine 0 C--N 1.342 0.861 0 CA-C-N 115.638 -0.71 . . . . 64.21 112.913 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.86 -58.63 7.29 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 124.909 1.283 . . . . 55.03 111.005 -175.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.454 ' O ' ' HG ' ' A' ' 86' ' ' LEU . 79.5 mt -65.88 -36.01 82.24 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 119.022 -0.513 . . . . 71.21 111.462 -174.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -64.62 -39.23 93.35 Favored 'General case' 0 N--CA 1.493 1.716 0 CA-C-N 118.337 0.517 . . . . 64.53 111.188 176.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -60.67 -47.62 85.45 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 116.012 -0.54 . . . . 74.54 110.038 174.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -57.23 -46.14 83.23 Favored 'General case' 0 C--O 1.218 -0.604 0 C-N-CA 123.659 0.783 . . . . 74.41 111.193 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 82' ' ' LEU . 92.5 mt -66.66 -32.29 73.52 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.661 0.785 . . . . 71.52 111.418 -178.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -67.62 -47.44 69.64 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-O 121.482 0.658 . . . . 72.13 110.011 178.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.415 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 39.7 mt-10 -65.2 -44.14 89.33 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 114.525 -1.216 . . . . 73.05 110.448 179.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.449 ' O ' HG13 ' A' ' 93' ' ' ILE . 83.4 mt -64.49 -39.8 94.48 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.508 0.723 . . . . 61.23 110.781 179.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -63.77 -39.2 93.68 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 123.322 0.649 . . . . 64.03 110.6 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 26.2 t -67.41 -37.18 82.68 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.174 -0.921 . . . . 71.11 110.679 176.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 97.9 mt -66.66 -42.53 86.47 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.242 0.617 . . . . 74.52 110.634 177.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 89' ' ' LEU . 84.3 mt -64.61 -37.44 80.08 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 C-N-CA 123.874 0.87 . . . . 71.33 109.999 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -64.72 -20.5 66.29 Favored Glycine 0 CA--C 1.538 1.475 0 CA-C-N 116.023 -0.535 . . . . 52.55 113.793 177.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -98.15 -41.43 7.92 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.068 0.947 . . . . 70.52 111.367 -179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.476 HG23 HG22 ' A' ' 433' ' ' VAL . 35.1 m -83.53 -33.04 9.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.445 0 C-N-CA 122.918 0.487 . . . . 53.21 111.731 -172.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 99' ' ' GLN . 1.6 tt -99.03 111.83 24.12 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.128 -1.064 . . . . 71.11 108.128 177.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -95.84 85.26 4.05 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 108.31 -0.996 . . . . 65.31 108.31 174.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.415 ' HB3' HD22 ' A' ' 97' ' ' LEU . 0.0 OUTLIER -82.97 -5.94 59.28 Favored 'General case' 0 N--CA 1.486 1.33 0 CA-C-N 115.435 -0.802 . . . . 64.41 112.682 -172.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -172.4 -64.03 0.04 OUTLIER Glycine 0 CA--C 1.532 1.113 0 N-CA-C 111.692 -0.563 . . . . 70.14 111.692 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.59 146.96 85.86 Favored 'Trans proline' 0 C--N 1.378 2.092 0 C-N-CA 122.422 2.081 . . . . 74.22 111.873 174.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.3 m 64.0 18.91 11.5 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.582 1.153 . . . . 44.34 112.712 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -126.17 127.77 46.23 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.091 0.956 . . . . 61.32 109.633 178.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -70.13 -19.8 75.94 Favored Glycine 0 N--CA 1.478 1.489 0 C-N-CA 122.911 0.291 . . . . 64.11 113.021 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.1 pp -125.01 171.97 9.81 Favored 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 124.495 1.118 . . . . 71.24 109.547 175.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 72.2 t -95.96 103.07 12.08 Favored Pre-proline 0 CA--C 1.547 0.853 0 N-CA-C 107.927 -1.138 . . . . 73.04 107.927 175.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -96.28 38.44 0.13 Allowed 'Trans proline' 0 C--N 1.372 1.798 0 C-N-CA 123.5 2.8 . . . . 60.4 112.274 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 62.7 ttp180 -69.11 93.32 0.59 Allowed 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.294 0.638 . . . . 64.44 110.153 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -125.81 122.21 4.44 Favored Glycine 0 C--N 1.343 0.948 0 N-CA-C 111.001 -0.84 . . . . 73.11 111.001 177.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 68.3 p -91.39 28.62 1.64 Allowed 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.446 0.698 . . . . 60.53 112.199 -176.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.15 -90.51 0.1 OUTLIER Glycine 0 C--N 1.342 0.878 0 N-CA-C 111.472 -0.651 . . . . 55.1 111.472 175.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.43 136.33 13.24 Favored Glycine 0 C--N 1.345 1.031 0 N-CA-C 112.43 -0.268 . . . . 55.35 112.43 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 36.3 mt -95.18 156.47 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.901 0 C-N-CA 124.135 0.974 . . . . 74.54 108.498 169.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -76.05 137.12 39.99 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.412 0.685 . . . . 64.11 110.486 174.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 92.39 -179.79 40.66 Favored Glycine 0 CA--C 1.536 1.347 0 N-CA-C 114.061 0.385 . . . . 43.13 114.061 173.675 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 22.5 t -72.63 -18.24 61.6 Favored 'General case' 0 N--CA 1.492 1.661 0 C-N-CA 123.967 0.907 . . . . 74.33 111.283 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.69 -35.5 39.3 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 CA-C-N 115.564 -0.744 . . . . 74.24 110.073 172.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -53.9 -51.43 63.72 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.341 0.657 . . . . 72.21 111.399 173.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 39.6 mt-10 -62.5 -51.73 66.28 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.821 0.848 . . . . 72.35 111.2 -173.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.1 t -67.07 -40.31 87.0 Favored 'General case' 0 N--CA 1.476 0.866 0 O-C-N 123.399 0.437 . . . . 74.04 111.252 -177.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.497 ' HA ' ' HD2' ' A' ' 436' ' ' TYR . 79.3 t -69.17 -31.19 49.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 122.359 0.263 . . . . 71.31 110.472 177.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -72.79 -24.38 60.92 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 119.143 -0.456 . . . . 74.45 111.033 176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.422 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 28.7 mmt180 -72.38 -40.99 66.83 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 122.974 0.509 . . . . 75.33 110.059 172.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . 0.497 ' HD2' ' HA ' ' A' ' 433' ' ' VAL . 50.5 m-85 -62.23 -51.51 67.45 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.978 -0.379 . . . . 72.12 109.978 173.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -65.33 -30.81 71.69 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.854 1.346 . . . . 74.41 111.153 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.79 -61.63 1.96 Allowed 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.266 -0.642 . . . . 72.04 109.266 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -63.69 -28.41 69.88 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.722 0.409 . . . . 72.34 111.204 -176.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -65.37 -63.57 1.07 Allowed 'General case' 0 C--O 1.212 -0.878 0 CA-C-N 115.668 -0.696 . . . . 73.42 109.54 175.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 34.2 m -67.93 -32.93 73.73 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.994 0.918 . . . . 74.02 112.33 -171.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -66.09 -53.61 35.94 Favored 'General case' 0 N--CA 1.481 1.088 0 C-N-CA 124.061 0.945 . . . . 75.25 111.041 175.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.518 HD12 HD21 ' A' ' 34' ' ' LEU . 7.4 mp -71.35 -18.39 62.38 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 116.207 -0.452 . . . . 73.01 110.661 177.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -77.2 -46.23 23.97 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 124.235 1.014 . . . . 50.05 111.242 179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.9 t -66.44 -37.8 85.98 Favored 'General case' 0 C--O 1.247 0.939 0 N-CA-C 108.7 -0.852 . . . . 71.52 108.7 177.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.645 ' HG2' HD23 ' A' ' 450' ' ' LEU . 24.9 ttt -63.35 -42.84 98.93 Favored 'General case' 0 C--N 1.356 0.879 0 CA-C-N 115.888 -0.597 . . . . 75.44 110.115 173.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -53.79 54.32 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.945 0.898 . . . . 54.44 111.449 -177.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 31.8 p -61.17 -40.73 94.97 Favored 'General case' 0 C--O 1.245 0.855 0 O-C-N 123.998 0.811 . . . . 71.31 111.091 -178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -72.36 -40.77 67.09 Favored 'General case' 0 C--N 1.35 0.614 0 CA-C-N 116.024 -0.535 . . . . 75.35 111.522 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.645 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.8 pp -74.25 -25.01 59.38 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 109.987 -0.375 . . . . 74.35 109.987 -175.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -73.54 -46.11 49.54 Favored 'General case' 0 C--O 1.246 0.873 0 C-N-CA 123.367 0.667 . . . . 75.44 109.458 177.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -59.78 -46.82 88.01 Favored 'General case' 0 C--O 1.245 0.848 0 CA-C-N 115.042 -0.981 . . . . 73.14 110.536 175.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 41.6 p -62.15 -62.6 1.66 Allowed 'General case' 0 C--O 1.218 -0.572 0 CA-C-O 118.466 -0.778 . . . . 74.13 110.133 -178.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 77.8 p -52.58 -31.05 34.24 Favored 'General case' 0 N--CA 1.494 1.766 0 C-N-CA 123.34 0.656 . . . . 62.1 112.521 -177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.421 ' O ' HG22 ' A' ' 458' ' ' THR . 35.3 t -59.66 -64.99 0.75 Allowed 'General case' 0 CA--C 1.554 1.097 0 O-C-N 123.495 0.497 . . . . 64.01 110.831 173.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -72.76 -19.4 61.37 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 112.366 0.506 . . . . 73.44 112.366 -177.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.411 HD21 HG23 ' A' ' 44' ' ' ILE . 49.0 mt -76.66 -36.34 57.4 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.816 0.846 . . . . 73.23 110.788 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 455' ' ' SER . 5.2 t -73.27 -33.03 65.02 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 109.337 -0.616 . . . . 73.03 109.337 176.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -66.79 -37.74 85.16 Favored 'General case' 0 CA--C 1.549 0.906 0 O-C-N 123.419 0.45 . . . . 64.23 110.741 169.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -65.94 -40.35 91.3 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.688 0.795 . . . . 51.2 110.699 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 29.1 t80 -62.0 -53.1 60.37 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.538 0.735 . . . . 75.31 110.042 177.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 16.5 m -63.16 -36.09 82.46 Favored 'General case' 0 CA--C 1.545 0.777 0 CA-C-N 115.085 -0.961 . . . . 71.31 111.838 -176.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -77.15 -52.61 8.98 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 122.913 0.485 . . . . 73.44 111.097 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 51.6 ttm -61.37 -34.55 75.5 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.756 -0.657 . . . . 73.21 110.677 -175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.8 t-20 -76.58 -66.14 0.85 Allowed 'General case' 0 CA--C 1.553 1.083 0 O-C-N 123.922 0.764 . . . . 74.41 109.237 175.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.39 82.97 2.07 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.803 0.841 . . . . 72.41 112.321 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 49.3 m . . . . . 0 CA--C 1.561 1.392 0 CA-C-O 118.551 -0.738 . . . . 72.33 110.361 162.523 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ptt? . . . . . 0 CA--C 1.553 1.061 0 CA-C-O 121.474 0.654 . . . . 61.21 110.116 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.8 p -67.53 -43.02 81.78 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.085 0.954 . . . . 70.43 111.869 -175.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.9 m -62.57 -38.54 90.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.65 0.78 . . . . 74.1 111.253 179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 7' ' ' PHE . 27.7 m -73.34 -42.11 62.66 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 115.524 -0.762 . . . . 54.21 111.606 -177.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.0 p -69.62 -38.92 77.56 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 N-CA-C 110.449 -0.204 . . . . 65.32 110.449 -176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -68.2 -35.91 78.73 Favored 'General case' 0 N--CA 1.482 1.145 0 CA-C-O 120.591 0.234 . . . . 75.3 110.433 177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CD1' ' HD2' ' A' ' 53' ' ' PRO . 35.8 t80 -52.4 -58.69 5.92 Favored 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 124.085 0.954 . . . . 75.32 110.304 170.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.47 HD11 HD13 ' A' ' 60' ' ' ILE . 89.9 mt -57.36 -53.62 41.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.491 0 C-N-CA 124.7 1.2 . . . . 72.41 111.835 -177.036 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.411 HD22 ' N ' ' A' ' 9' ' ' ASN . 0.8 OUTLIER -61.78 -44.33 97.09 Favored 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 115.009 -0.996 . . . . 75.32 111.66 -173.016 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' O ' HG13 ' A' ' 14' ' ' ILE . 78.0 mtm180 -78.7 -26.3 44.86 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 116.294 -0.412 . . . . 74.54 111.632 -177.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.48 ' CZ3' HG12 ' A' ' 68' ' ' ILE . 35.2 m95 -67.12 -36.46 81.94 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 118.112 0.415 . . . . 71.22 110.191 169.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.68 -39.89 93.02 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 123.612 0.57 . . . . 61.51 109.796 175.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.3 mmt180 -57.84 -55.73 31.07 Favored 'General case' 0 C--O 1.213 -0.865 0 CA-C-N 115.747 -0.66 . . . . 74.13 109.766 172.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 10' ' ' ARG . 97.3 mt -52.05 -48.22 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.455 0 C-N-CA 124.331 1.052 . . . . 60.31 111.811 -176.422 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.0 -50.89 60.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.462 0.705 . . . . 65.43 112.214 -176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 96.7 mt -71.16 -33.97 70.52 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 116.044 -0.525 . . . . 61.45 111.792 -175.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.46 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 85.0 mt -68.91 -53.12 22.79 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 118.803 -0.618 . . . . 73.54 109.722 179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.447 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.0 p -54.55 -42.5 71.01 Favored 'General case' 0 N--CA 1.484 1.261 0 O-C-N 123.997 0.811 . . . . 72.21 111.259 -179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 -56.97 -55.17 38.09 Favored 'General case' 0 CA--C 1.547 0.847 0 O-C-N 124.447 1.092 . . . . 73.32 111.487 175.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.5 m -63.28 -52.02 63.72 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 115.547 -0.751 . . . . 64.23 111.983 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.625 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -69.82 -25.72 63.89 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.355 0.662 . . . . 64.44 111.325 -175.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.549 HD22 ' HA ' ' A' ' 74' ' ' ASN . 60.7 tp -61.05 -49.83 75.79 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 109.192 -0.669 . . . . 74.32 109.192 171.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -58.02 -43.79 86.94 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 124.183 0.927 . . . . 64.42 110.472 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.5 HD13 ' HB3' ' A' ' 32' ' ' LEU . 71.0 mt -64.11 -34.11 77.3 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 124.06 0.944 . . . . 61.45 111.458 179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -70.53 -40.01 73.69 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 123.54 0.736 . . . . 72.35 111.03 176.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 48.4 mt-30 -68.29 -33.92 75.22 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.737 0.815 . . . . 64.24 110.654 176.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 9.8 mmm180 -76.03 -26.34 56.53 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.409 1.084 . . . . 74.12 110.58 178.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.14 -3.06 55.03 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.62 0.575 . . . . 75.23 113.524 177.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.14 90.4 1.56 Allowed 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 117.518 0.659 . . . . 54.14 110.19 177.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 23.7 m95 -75.28 -33.04 61.21 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 114.849 -1.069 . . . . 72.03 111.022 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -60.05 -47.29 86.46 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.056 0.542 . . . . 71.23 110.632 175.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.5 ' HB3' HD13 ' A' ' 24' ' ' LEU . 75.7 mt -72.22 -34.18 68.13 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 115.221 -0.899 . . . . 73.34 110.881 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.625 HD12 ' HB2' ' A' ' 21' ' ' LEU . 60.2 tp -56.64 -50.75 71.12 Favored 'General case' 0 N--CA 1.484 1.275 0 C-N-CA 123.791 0.837 . . . . 73.44 110.885 173.33 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 88.3 mt -71.38 -26.76 62.92 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.579 1.152 . . . . 73.41 111.759 -177.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -64.76 -42.37 95.18 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.115 0.566 . . . . 73.2 110.235 175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 63.0 mm-40 -83.33 -25.69 31.24 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 116.201 -0.454 . . . . 71.52 110.858 -178.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -50.04 -57.05 8.41 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 125.209 1.403 . . . . 61.24 111.982 179.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 29.4 m -55.82 -46.32 79.92 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 CA-C-N 114.963 -1.017 . . . . 73.44 111.857 -170.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 41.6 p -73.93 -35.45 64.59 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.461 0.704 . . . . 75.44 110.565 -179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.447 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 28.3 t80 -62.51 -62.9 1.43 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.191 0.997 . . . . 72.31 111.701 -178.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.72 -37.85 85.72 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.706 0.802 . . . . 71.32 110.709 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -56.84 -48.26 78.44 Favored 'General case' 0 N--CA 1.487 1.385 0 O-C-N 123.492 0.495 . . . . 75.45 110.318 174.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.424 ' HA ' HG22 ' A' ' 46' ' ' THR . 73.6 m -61.94 -36.32 81.03 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.661 0.601 . . . . 63.33 111.6 -177.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.531 HG23 HD21 ' A' ' 457' ' ' LEU . 65.1 mt -64.64 -52.03 59.93 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 O-C-N 123.576 0.547 . . . . 74.24 110.021 175.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -58.99 -40.24 84.25 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.953 0.901 . . . . 75.33 111.639 -178.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.424 HG22 ' HA ' ' A' ' 43' ' ' SER . 12.4 t -79.89 -32.01 40.27 Favored 'General case' 0 CA--C 1.551 1.017 0 N-CA-C 112.002 0.371 . . . . 61.12 112.002 -172.556 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 33.8 m -71.48 -25.39 24.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 CA-C-N 118.825 0.739 . . . . 75.1 109.807 170.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 mmt -81.26 -14.83 57.02 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.685 0.794 . . . . 72.41 111.783 173.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -70.51 -30.91 67.8 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 117.946 0.339 . . . . 75.15 110.538 167.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -82.31 -21.67 36.0 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 122.945 0.498 . . . . 74.11 110.75 171.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 60.64 33.15 20.38 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 124.272 1.029 . . . . 75.33 111.303 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 98.6 m 66.08 105.71 0.03 OUTLIER Pre-proline 0 CA--C 1.556 1.21 0 C-N-CA 124.776 1.23 . . . . 62.13 110.356 -171.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.456 ' HD2' ' CD1' ' A' ' 7' ' ' PHE . 76.1 Cg_exo -48.42 142.65 16.94 Favored 'Trans proline' 0 C--N 1.379 2.138 0 C-N-CA 123.327 2.685 . . . . 74.4 113.814 169.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' PRO . 15.0 Cg_exo -70.79 -24.29 25.11 Favored 'Trans proline' 0 C--N 1.376 1.995 0 C-N-CA 122.836 2.357 . . . . 70.13 112.625 174.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -81.73 58.37 4.9 Favored Glycine 0 C--N 1.35 1.316 0 O-C-N 123.431 0.457 . . . . 40.23 113.053 -177.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.3 mm -116.9 116.11 51.1 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 N-CA-C 107.425 -1.324 . . . . 72.04 107.425 178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 15.1 t -79.09 175.39 10.63 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 122.909 0.483 . . . . 54.44 110.273 177.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.87 -29.69 70.18 Favored 'General case' 0 N--CA 1.485 1.298 0 C-N-CA 123.42 0.688 . . . . 74.3 111.315 -176.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.446 ' O ' ' HG3' ' A' ' 63' ' ' MET . 35.6 t -72.57 -47.03 51.35 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 122.954 0.501 . . . . 54.43 110.196 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.477 ' HA ' ' HE2' ' A' ' 63' ' ' MET . 83.7 mt -67.86 -36.47 75.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.165 0 C-N-CA 123.525 0.73 . . . . 62.45 110.774 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 34.9 tt0 -62.71 -43.81 97.83 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.683 0.793 . . . . 74.11 110.012 175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -61.49 -45.8 92.69 Favored 'General case' 0 C--O 1.251 1.142 0 O-C-N 124.023 0.827 . . . . 75.33 110.851 177.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.477 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 31.8 mtm -55.88 -65.85 0.53 Allowed 'General case' 0 C--N 1.361 1.074 0 O-C-N 123.977 0.798 . . . . 73.41 109.316 178.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.528 ' O ' HG13 ' A' ' 68' ' ' ILE . 22.0 m -67.61 -21.4 27.41 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.801 0 O-C-N 124.103 0.877 . . . . 71.43 112.753 -172.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.05 -43.88 87.1 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 109.058 -0.719 . . . . 75.45 109.058 168.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -62.96 -43.22 99.22 Favored Glycine 0 CA--C 1.539 1.538 0 CA-C-N 115.204 -0.907 . . . . 70.42 113.778 170.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 1.3 m-30 -60.2 -48.06 83.34 Favored 'General case' 0 N--CA 1.498 1.929 0 CA-C-N 117.502 0.651 . . . . 75.22 110.916 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 64' ' ' VAL . 34.9 mt -68.49 -40.97 82.87 Favored 'Isoleucine or valine' 0 C--N 1.354 0.785 0 CA-C-N 115.433 -0.803 . . . . 64.01 109.171 -178.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -59.71 -39.17 83.77 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 122.877 0.471 . . . . 64.12 111.201 -179.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -59.71 -55.69 31.2 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.166 0.586 . . . . 61.33 109.778 172.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.4 HG22 ' O ' ' A' ' 68' ' ' ILE . 1.2 t -65.89 -27.62 68.34 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.234 -0.893 . . . . 72.52 111.94 -171.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 68' ' ' ILE . 82.4 mt -70.78 -46.7 62.42 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.547 0.739 . . . . 70.55 110.429 178.126 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -55.82 -51.74 66.44 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 124.47 1.106 . . . . 64.04 110.486 176.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.549 ' HA ' HD22 ' A' ' 22' ' ' LEU . 10.0 m120 -68.71 -42.61 77.47 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 114.474 -1.239 . . . . 51.2 111.526 -173.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.53 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.8 tt0 -76.44 -23.08 53.91 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.636 0.774 . . . . 54.13 111.49 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -65.74 -44.79 84.91 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.639 0.776 . . . . 45.03 109.714 169.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 95.7 mt -72.09 -27.0 62.37 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.216 -0.902 . . . . 73.4 111.216 178.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.53 HD12 ' HA ' ' A' ' 75' ' ' GLU . 98.3 mt -66.79 -43.12 84.77 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 109.545 -0.539 . . . . 61.31 109.545 170.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 65.3 tttp -56.91 -51.3 69.65 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-N 115.789 -0.641 . . . . 72.54 110.574 179.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.24 -55.63 20.24 Favored Glycine 0 CA--C 1.534 1.254 0 O-C-N 123.372 0.42 . . . . 24.1 113.38 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 tt -63.73 -53.75 46.24 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.956 0.902 . . . . 64.51 111.085 -173.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 86.0 mt -67.79 -28.74 67.85 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 118.695 -0.669 . . . . 71.54 111.092 -177.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -61.86 -42.65 99.31 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 118.724 0.693 . . . . 55.13 110.433 173.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -59.99 -47.44 85.81 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.898 0.749 . . . . 54.43 110.349 175.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 8.1 mmp_? -59.03 -49.44 77.87 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 123.18 0.592 . . . . 74.51 111.199 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.408 HD21 ' HB2' ' A' ' 443' ' ' LEU . 96.0 mt -66.85 -33.61 75.97 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.444 1.098 . . . . 64.33 112.115 -177.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -62.62 -46.37 88.59 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 123.963 0.789 . . . . 74.45 109.47 177.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 43.9 mt-10 -70.54 -41.25 72.75 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 114.732 -1.122 . . . . 72.03 111.008 -179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 94.0 mt -63.02 -38.73 92.38 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.358 0.663 . . . . 71.45 110.389 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 35.1 t -66.97 -35.79 80.75 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.351 0.66 . . . . 63.5 110.281 175.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t -68.9 -31.91 71.16 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.155 0.582 . . . . 73.32 110.526 177.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 53.8 mt -70.52 -50.07 41.59 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.098 0.559 . . . . 63.15 109.932 177.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 83.5 mt -62.45 -34.87 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 C-N-CA 124.416 1.086 . . . . 63.03 110.522 178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.22 -18.17 66.85 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 115.875 -0.602 . . . . 70.33 113.568 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -101.03 -53.57 3.01 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.51 0.724 . . . . 73.03 110.495 177.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.441 HG23 HG22 ' A' ' 433' ' ' VAL . 23.8 m -73.1 -31.95 36.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.236 0 C-N-CA 123.229 0.612 . . . . 75.32 112.058 -170.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.8 tt -97.72 111.05 23.49 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 107.651 -1.241 . . . . 72.22 107.651 178.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -88.46 91.2 8.71 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 107.441 -1.318 . . . . 74.1 107.441 171.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 pp0? -76.9 -10.49 59.4 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 115.535 -0.757 . . . . 73.22 112.531 -172.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -164.23 -76.56 0.03 OUTLIER Glycine 0 CA--C 1.529 0.923 0 N-CA-C 111.448 -0.661 . . . . 73.21 111.448 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -73.71 168.77 23.96 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 122.895 2.397 . . . . 73.41 112.8 -176.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 42.9 m 67.25 18.49 10.31 Favored 'General case' 0 N--CA 1.486 1.342 0 C-N-CA 125.13 1.372 . . . . 53.21 112.539 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -125.14 127.93 47.61 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.875 0.87 . . . . 63.42 109.039 176.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -73.49 -7.43 73.41 Favored Glycine 0 C--N 1.347 1.177 0 O-C-N 123.483 0.49 . . . . 71.34 113.195 176.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 pp -116.01 -173.47 2.36 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.481 1.112 . . . . 64.21 110.258 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.4 t -93.99 100.41 4.78 Favored Pre-proline 0 CA--C 1.553 1.071 0 N-CA-C 108.203 -1.036 . . . . 61.35 108.203 171.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -82.69 -3.52 11.28 Favored 'Trans proline' 0 C--N 1.377 2.048 0 C-N-CA 122.895 2.396 . . . . 75.03 112.47 -178.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 -79.16 76.91 5.68 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 108.606 -0.887 . . . . 72.44 108.606 177.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -143.18 67.26 0.45 Allowed Glycine 0 C--N 1.34 0.754 0 N-CA-C 109.644 -1.382 . . . . 72.52 109.644 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 14.2 m -61.26 114.23 3.05 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 124.533 1.133 . . . . 74.25 112.245 -169.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 175.35 -51.05 0.13 Allowed Glycine 0 C--N 1.34 0.78 0 N-CA-C 111.616 -0.593 . . . . 51.55 111.616 178.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 173.7 121.34 0.61 Allowed Glycine 0 C--N 1.343 0.954 0 N-CA-C 111.555 -0.618 . . . . 51.15 111.555 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.452 ' H ' HD12 ' A' ' 113' ' ' ILE . 4.0 mp -80.17 148.45 5.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.966 0 N-CA-C 108.616 -0.883 . . . . 71.15 108.616 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.76 133.25 40.76 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 122.07 -0.394 . . . . 74.51 110.147 174.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 99.92 178.44 30.6 Favored Glycine 0 C--N 1.343 0.935 0 CA-C-N 116.332 -0.394 . . . . 64.22 113.022 178.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 30.5 t -72.5 -14.45 61.66 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 124.347 1.059 . . . . 54.42 112.027 -176.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.424 HD12 HG21 ' A' ' 113' ' ' ILE . 0.0 OUTLIER -53.97 -41.92 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 123.534 0.733 . . . . 70.51 110.446 172.596 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -59.77 -43.0 94.54 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.242 0.617 . . . . 72.55 111.322 178.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.51 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 40.3 mt-10 -62.51 -56.44 18.01 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.252 0.97 . . . . 74.35 110.729 -176.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 10.1 t -61.94 -43.96 97.75 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 123.812 0.695 . . . . 70.33 111.217 -176.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.441 HG22 HG23 ' A' ' 96' ' ' VAL . 43.0 t -59.06 -43.4 89.01 Favored 'Isoleucine or valine' 0 C--N 1.356 0.853 0 C-N-CA 122.849 0.46 . . . . 74.41 109.872 176.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.37 -30.66 71.7 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.248 0.619 . . . . 63.5 111.886 -179.351 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 15.3 mmt180 -69.96 -51.95 28.41 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 122.579 0.352 . . . . 75.03 110.051 179.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -73.75 -25.31 60.1 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 116.138 -0.483 . . . . 72.43 111.597 -177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -74.9 -39.42 61.46 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.842 0.857 . . . . 60.53 110.16 176.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -64.52 -53.24 51.12 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 123.517 0.51 . . . . 70.34 109.67 175.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -54.13 -41.84 68.82 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 123.762 0.825 . . . . 74.45 111.803 177.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -60.22 -62.84 1.57 Allowed 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.167 -0.924 . . . . 74.01 109.956 176.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 91.4 m -62.02 -33.67 74.78 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 123.903 0.881 . . . . 72.32 112.882 -172.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -69.82 -51.7 31.39 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.876 0.87 . . . . 64.32 111.178 -179.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.408 ' HB2' HD21 ' A' ' 86' ' ' LEU . 8.4 mp -74.3 -18.9 60.65 Favored 'General case' 0 CA--C 1.556 1.187 0 CA-C-N 116.564 -0.289 . . . . 70.11 110.515 177.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -76.03 -46.82 27.41 Favored 'General case' 0 N--CA 1.486 1.328 0 C-N-CA 124.22 1.008 . . . . 53.54 110.783 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 10.2 t -67.67 -33.24 74.54 Favored 'General case' 0 C--N 1.351 0.645 0 N-CA-C 109.666 -0.494 . . . . 65.5 109.666 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.588 ' HG2' HD23 ' A' ' 450' ' ' LEU . 26.5 ttt -60.61 -45.12 95.2 Favored 'General case' 0 C--N 1.355 0.817 0 O-C-N 123.929 0.768 . . . . 72.12 109.495 171.534 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.508 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 2.5 ttm -65.14 -47.53 76.76 Favored 'General case' 0 N--CA 1.478 0.967 0 O-C-N 124.192 0.932 . . . . 72.31 112.361 -176.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 25.0 p -63.33 -42.1 98.93 Favored 'General case' 0 C--O 1.25 1.098 0 C-N-CA 123.126 0.57 . . . . 51.21 110.88 -177.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -69.62 -43.68 72.21 Favored 'General case' 0 C--N 1.346 0.443 0 CA-C-N 115.509 -0.769 . . . . 73.35 111.104 176.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.588 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.3 pp -71.52 -22.95 61.71 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 123.036 0.21 . . . . 73.41 110.579 -175.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -70.81 -49.81 42.44 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.597 0.759 . . . . 74.43 109.035 175.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 44.2 t30 -58.21 -47.46 83.41 Favored 'General case' 0 C--O 1.247 0.924 0 CA-C-N 114.911 -1.041 . . . . 73.33 110.903 176.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.407 ' OG1' ' HA ' ' A' ' 450' ' ' LEU . 56.2 p -65.07 -60.34 3.14 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-O 118.252 -0.88 . . . . 71.25 110.026 -176.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.9 p -50.94 -36.09 36.77 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 123.666 0.786 . . . . 71.4 112.542 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 29.1 t -57.35 -63.7 1.14 Allowed 'General case' 0 CA--C 1.553 1.071 0 O-C-N 124.004 0.815 . . . . 62.12 111.032 173.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . . . . . . . . . 1.8 p90 -73.05 -20.39 60.99 Favored 'General case' 0 N--CA 1.483 1.203 0 N-CA-C 112.744 0.646 . . . . 71.2 112.744 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.531 HD21 HG23 ' A' ' 44' ' ' ILE . 54.5 mt -73.79 -39.55 64.05 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.971 0.908 . . . . 41.55 110.178 179.164 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 5.0 t -75.8 -33.2 60.11 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 110.175 -0.306 . . . . 74.42 110.175 -179.143 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -68.61 -37.91 80.16 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-N 115.963 -0.562 . . . . 72.34 110.315 172.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -71.14 -37.83 72.25 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 122.979 0.512 . . . . 71.15 110.827 178.289 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . 0.41 ' HB2' HG21 ' A' ' 68' ' ' ILE . 20.0 t80 -63.27 -53.87 46.17 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.105 0.562 . . . . 74.32 109.99 177.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 85.5 m -59.43 -43.61 93.06 Favored 'General case' 0 C--O 1.22 -0.474 0 O-C-N 124.323 1.014 . . . . 62.51 110.528 -178.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -63.89 -52.1 61.5 Favored 'General case' 0 C--O 1.245 0.819 0 O-C-N 123.483 0.489 . . . . 53.21 111.284 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . . . . . . . . . 48.3 ttm -61.42 -30.81 70.8 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.123 0.969 . . . . 72.04 111.179 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 34.9 t-20 -88.64 -77.32 0.37 Allowed 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 108.825 -0.806 . . . . 74.33 108.825 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.21 77.98 1.68 Allowed 'General case' 0 CA--C 1.566 1.561 0 C-N-CA 123.683 0.793 . . . . 61.53 111.385 175.675 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.487 1.416 0 O-C-N 121.781 -0.575 . . . . 60.35 110.814 171.371 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.2 ptt? . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 121.323 0.582 . . . . 72.41 109.845 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.7 p -63.74 -46.29 85.99 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.309 0.644 . . . . 71.15 112.561 -172.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.0 m -61.68 -41.7 97.93 Favored 'General case' 0 N--CA 1.476 0.826 0 O-C-N 123.705 0.628 . . . . 61.35 111.449 179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.452 HG23 HD13 ' A' ' 56' ' ' ILE . 58.7 m -70.44 -42.21 71.86 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 115.587 -0.733 . . . . 65.4 111.297 -177.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.444 ' HA ' HD12 ' A' ' 8' ' ' ILE . 9.9 p -75.58 -35.24 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.154 0 CA-C-N 117.506 0.139 . . . . 73.34 111.251 -174.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -69.29 -34.0 74.05 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.906 -0.405 . . . . 72.04 109.906 176.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -59.25 -44.35 92.39 Favored 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 124.19 0.996 . . . . 74.53 110.434 172.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 4' ' ' THR . 95.2 mt -59.95 -57.25 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 124.66 1.184 . . . . 53.21 111.409 177.035 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 59.6 m-80 -59.73 -41.58 91.22 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.54 0.736 . . . . 63.5 111.484 -176.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.633 HH22 ' HD2' ' A' ' 50' ' ' LYS . 22.4 mtm180 -71.73 -31.35 66.61 Favored 'General case' 0 C--O 1.216 -0.672 0 CA-C-O 118.956 -0.545 . . . . 73.42 111.695 -178.561 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.465 ' HH2' HD22 ' A' ' 457' ' ' LEU . 22.0 m95 -66.75 -38.02 85.8 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 118.288 0.494 . . . . 74.42 111.243 173.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 65.4 tt0 -56.85 -44.7 82.42 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.504 0.502 . . . . 70.05 110.22 170.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.423 ' HG2' ' O ' ' A' ' 9' ' ' ASN . 26.2 mmt180 -58.65 -53.26 60.32 Favored 'General case' 0 C--N 1.357 0.913 0 O-C-N 123.683 0.614 . . . . 74.32 110.076 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.6 mt -56.21 -43.55 76.72 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 C-N-CA 124.617 1.167 . . . . 75.22 111.643 -174.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.67 -44.53 70.31 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 123.258 0.623 . . . . 65.32 112.105 -177.168 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.9 mt -68.69 -35.3 77.02 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 116.054 -0.521 . . . . 65.04 110.506 178.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 78.6 mt -65.79 -55.33 17.77 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.645 0.778 . . . . 75.52 110.301 176.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 59.1 p -53.73 -44.26 69.75 Favored 'General case' 0 N--CA 1.481 1.095 0 O-C-N 124.311 1.007 . . . . 72.31 111.265 -176.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -63.59 -47.74 80.23 Favored 'General case' 0 CA--C 1.549 0.914 0 O-C-N 124.384 1.053 . . . . 64.02 111.407 178.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 68.7 m -65.8 -51.78 56.21 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.096 0.558 . . . . 75.25 112.172 -176.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.578 ' HB2' HD12 ' A' ' 33' ' ' LEU . 4.2 pp -69.81 -24.3 63.45 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 122.768 0.427 . . . . 70.44 111.396 -177.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.424 HD21 HD12 ' A' ' 77' ' ' LEU . 61.6 tp -61.43 -47.86 83.8 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.965 0.506 . . . . 43.35 110.005 170.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -58.88 -45.58 89.88 Favored 'General case' 0 C--O 1.215 -0.712 0 CA-C-N 115.231 -0.895 . . . . 62.4 110.148 175.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.554 HD13 ' HB3' ' A' ' 32' ' ' LEU . 60.7 mt -63.12 -33.31 75.19 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.606 0.762 . . . . 64.35 111.947 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.457 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -67.26 -47.83 69.54 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.79 0.836 . . . . 62.31 110.899 178.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.06 -17.57 58.65 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 116.416 -0.356 . . . . 61.3 111.668 179.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.6 mmm180 -79.98 -24.69 40.74 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.348 0.659 . . . . 71.01 110.181 171.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.88 -1.63 51.94 Favored Glycine 0 C--N 1.352 1.417 0 CA-C-O 119.556 -0.58 . . . . 74.41 114.303 173.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -81.14 90.51 6.05 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 117.513 0.656 . . . . 61.35 109.867 177.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.403 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 26.6 m95 -69.21 -34.55 75.03 Favored 'General case' 0 C--O 1.208 -1.082 0 CA-C-N 114.563 -1.199 . . . . 42.32 109.985 175.747 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -53.6 -48.02 69.64 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.043 0.537 . . . . 63.33 110.92 175.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.554 ' HB3' HD13 ' A' ' 24' ' ' LEU . 83.6 mt -75.3 -35.86 61.22 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.342 -0.845 . . . . 51.34 111.339 -178.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 21' ' ' LEU . 50.0 tp -57.8 -49.08 77.81 Favored 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 123.929 0.892 . . . . 61.11 110.961 174.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.535 HD21 HD12 ' A' ' 443' ' ' LEU . 47.0 mt -79.64 -24.34 41.95 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.332 1.053 . . . . 74.32 110.829 -174.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.3 tp-100 -63.36 -39.87 95.71 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.656 0.783 . . . . 73.41 109.549 172.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 32' ' ' LEU . 80.1 mm-40 -84.23 -24.56 29.97 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.054 -0.976 . . . . 74.42 111.221 179.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -50.42 -53.1 31.96 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 124.145 0.978 . . . . 74.04 111.782 -179.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.9 m -57.88 -46.63 87.39 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.755 0 O-C-N 124.328 1.018 . . . . 62.23 111.334 -175.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.6 m -67.41 -40.5 85.58 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.855 0.862 . . . . 64.42 110.926 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.451 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 29.8 t80 -67.62 -61.5 1.86 Allowed 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.995 1.318 . . . . 63.23 111.539 -173.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.14 -35.42 80.72 Favored 'General case' 0 CA--C 1.539 0.533 0 O-C-N 124.086 0.866 . . . . 53.53 111.172 -178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -61.13 -44.03 97.97 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 122.309 0.244 . . . . 75.05 111.074 174.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.485 ' HA ' HG22 ' A' ' 46' ' ' THR . 72.8 m -63.97 -36.66 84.68 Favored 'General case' 0 N--CA 1.48 1.037 0 O-C-N 123.456 0.473 . . . . 55.4 111.589 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.557 HG23 HD21 ' A' ' 457' ' ' LEU . 75.1 mt -66.02 -50.34 70.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 121.686 0.755 . . . . 72.52 110.401 175.371 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -66.15 -26.96 67.67 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 115.325 -0.852 . . . . 71.23 111.81 -177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 43' ' ' SER . 6.2 t -86.88 -28.53 22.78 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 112.602 0.593 . . . . 64.14 112.602 -179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.5 m -73.02 -23.99 20.62 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 CA-C-N 118.72 0.691 . . . . 70.34 109.991 170.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.408 ' HG3' ' CE1' ' A' ' 456' ' ' TYR . 22.8 mmt -87.15 -23.4 24.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.489 0.715 . . . . 62.3 111.993 172.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' HB3' ' HA ' ' A' ' 46' ' ' THR . 34.7 tt0 -68.37 -31.99 71.75 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 123.424 0.69 . . . . 71.02 109.273 167.467 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.633 ' HD2' HH22 ' A' ' 10' ' ' ARG . 0.1 OUTLIER -68.36 -15.28 63.5 Favored 'General case' 0 CA--C 1.55 0.962 0 CA-C-N 114.548 -1.205 . . . . 74.23 110.815 175.501 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 72.52 2.61 4.41 Favored 'General case' 0 C--N 1.367 1.332 0 C-N-CA 125.542 1.537 . . . . 74.44 111.194 178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.404 HG21 ' NE2' ' A' ' 460' ' ' GLN . 90.8 m 62.21 109.57 0.03 OUTLIER Pre-proline 0 CA--C 1.558 1.253 0 C-N-CA 124.474 1.109 . . . . 73.13 110.68 -169.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.529 ' O ' HG12 ' A' ' 56' ' ' ILE . 32.3 Cg_exo -59.2 128.22 26.85 Favored 'Trans proline' 0 C--N 1.379 2.181 0 C-N-CA 122.307 2.005 . . . . 63.03 111.489 177.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -63.7 -14.11 40.87 Favored 'Trans proline' 0 C--N 1.373 1.839 0 C-N-CA 122.472 2.115 . . . . 71.21 112.986 174.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -87.32 50.99 4.16 Favored Glycine 0 C--N 1.352 1.457 0 CA-C-N 116.109 -0.496 . . . . 75.33 113.091 176.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 53' ' ' PRO . 47.0 mm -96.65 99.31 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 108.392 -0.966 . . . . 72.4 108.392 171.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.2 t -77.18 168.59 19.8 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.065 0.546 . . . . 75.35 110.441 175.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -29.92 69.63 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 115.281 1.586 . . . . 73.44 115.281 -158.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 34.0 t -74.9 -38.55 61.81 Favored 'General case' 0 N--CA 1.487 1.397 0 CA-C-N 118.841 0.746 . . . . 65.42 110.068 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.439 HG23 HG12 ' A' ' 8' ' ' ILE . 68.6 mt -62.37 -45.19 99.37 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 CA-C-N 115.475 -0.784 . . . . 60.32 109.367 173.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -58.1 -42.41 85.62 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.882 1.273 . . . . 75.1 110.908 178.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -61.77 -46.97 87.3 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.795 0.838 . . . . 64.22 110.759 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 52.5 mtm -64.27 -61.82 2.0 Allowed 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.801 -0.636 . . . . 71.0 110.975 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.563 ' O ' HG13 ' A' ' 68' ' ' ILE . 32.3 m -61.58 -40.6 87.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.884 0 CA-C-O 118.594 -0.717 . . . . 60.22 111.862 -173.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.3 -34.39 78.01 Favored 'General case' 0 N--CA 1.48 1.071 0 CA-C-N 118.173 0.442 . . . . 74.01 110.775 177.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -61.63 -41.66 99.62 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.537 0.523 . . . . 52.11 112.355 170.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -70.56 -33.79 71.5 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.255 0.622 . . . . 65.0 111.601 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.563 HG13 ' O ' ' A' ' 64' ' ' VAL . 45.8 mt -69.05 -43.38 81.92 Favored 'Isoleucine or valine' 0 C--N 1.357 0.926 0 N-CA-C 108.572 -0.899 . . . . 64.32 108.572 176.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -59.3 -41.96 90.2 Favored 'General case' 0 CA--C 1.55 0.978 0 C-N-CA 123.456 0.703 . . . . 74.32 110.608 178.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -62.06 -54.17 45.12 Favored 'General case' 0 C--N 1.356 0.857 0 O-C-N 123.659 0.599 . . . . 64.21 110.588 176.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.6 t -64.77 -36.72 85.23 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 123.784 0.678 . . . . 51.13 110.824 -173.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.6 mt -61.98 -45.54 93.18 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.66 0.784 . . . . 72.21 110.884 177.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -62.2 -52.58 63.23 Favored 'General case' 0 N--CA 1.47 0.548 0 O-C-N 124.193 0.933 . . . . 74.24 110.89 -179.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -67.05 -38.37 85.71 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 115.141 -0.936 . . . . 65.44 111.606 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 78' ' ' LEU . 35.7 tt0 -76.3 -25.21 54.6 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.38 1.072 . . . . 74.42 111.257 -177.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -68.37 -41.4 80.68 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.317 0.647 . . . . 75.11 109.788 169.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.424 HD12 HD21 ' A' ' 22' ' ' LEU . 81.0 mt -67.63 -33.85 75.8 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 115.499 -0.773 . . . . 74.51 110.71 176.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.478 HD12 ' HA ' ' A' ' 75' ' ' GLU . 96.1 mt -64.03 -45.18 90.04 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.007 0.523 . . . . 73.22 110.285 173.129 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -50.6 -54.37 23.29 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 124.328 1.051 . . . . 74.03 110.944 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.89 -45.93 61.97 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 116.137 -0.483 . . . . 43.1 113.939 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 tt -60.19 -56.31 23.12 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 124.198 0.999 . . . . 72.34 110.159 -176.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 67.9 mt -64.32 -32.07 73.52 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 124.142 0.902 . . . . 52.53 110.984 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -57.07 -46.84 82.17 Favored 'General case' 0 N--CA 1.489 1.492 0 CA-C-N 118.209 0.459 . . . . 74.41 111.369 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -61.23 -45.76 93.2 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 115.236 -0.893 . . . . 60.43 110.486 177.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.445 ' O ' ' HG ' ' A' ' 89' ' ' LEU . 8.2 mmp_? -58.78 -51.34 70.41 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.015 0.822 . . . . 75.15 111.07 179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.447 HD21 ' HB2' ' A' ' 443' ' ' LEU . 96.0 mt -65.13 -30.29 71.21 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.389 1.076 . . . . 74.32 112.241 -175.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -67.28 -45.21 77.29 Favored 'General case' 0 CA--C 1.54 0.587 0 O-C-N 123.683 0.614 . . . . 64.43 109.556 176.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -66.07 -44.4 84.58 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-N 115.162 -0.926 . . . . 72.22 111.237 178.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 85' ' ' ARG . 97.2 mt -61.43 -50.68 71.85 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 123.735 0.814 . . . . 71.43 110.192 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.9 t -63.04 -34.9 78.57 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.94 0.775 . . . . 72.23 111.233 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.468 ' O ' ' HG2' ' A' ' 95' ' ' GLN . 23.0 t -61.63 -45.45 94.03 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.062 0.545 . . . . 74.14 109.771 176.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 97.7 mt -68.21 -41.06 81.9 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.679 0.791 . . . . 75.31 111.53 -179.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 89' ' ' LEU . 82.1 mt -61.5 -41.62 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.93 0.892 . . . . 72.43 110.038 176.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -66.03 -24.49 71.73 Favored Glycine 0 C--N 1.341 0.839 0 CA-C-N 115.606 -0.725 . . . . 23.1 113.183 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.468 ' HG2' ' O ' ' A' ' 91' ' ' SER . 13.4 mm100 -84.56 -51.23 7.03 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 123.245 0.618 . . . . 54.41 111.163 178.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.88 -47.18 44.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 C-N-CA 122.493 0.317 . . . . 75.35 111.612 -174.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.524 ' HA ' HD11 ' A' ' 429' ' ' ILE . 4.4 tt -79.47 114.0 18.05 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.574 -0.898 . . . . 73.11 108.574 -176.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -95.59 95.88 8.66 Favored 'General case' 0 CA--C 1.534 0.333 0 N-CA-C 107.696 -1.224 . . . . 73.41 107.696 174.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -31.01 38.7 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.162 0.585 . . . . 54.51 110.929 -178.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.76 -73.98 0.01 OUTLIER Glycine 0 C--N 1.353 1.48 0 CA-C-O 119.399 -0.667 . . . . 54.24 112.467 -174.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -59.44 170.41 3.25 Favored 'Trans proline' 0 C--N 1.377 2.031 0 C-N-CA 123.25 2.633 . . . . 55.04 114.142 175.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 18.8 m 69.03 26.55 5.6 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.298 1.439 . . . . 73.0 112.027 178.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -149.6 154.3 38.46 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.312 0.645 . . . . 74.11 110.979 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -73.92 -50.8 10.08 Favored Glycine 0 C--N 1.35 1.353 0 N-CA-C 111.404 -0.678 . . . . 43.13 111.404 173.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.4 pp -83.99 -174.54 5.34 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.617 0.767 . . . . 63.22 110.549 174.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 61.2 t -94.39 101.39 6.55 Favored Pre-proline 0 CA--C 1.55 0.97 0 N-CA-C 108.343 -0.984 . . . . 70.35 108.343 174.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_endo -87.08 45.75 1.32 Allowed 'Trans proline' 0 C--N 1.375 1.94 0 C-N-CA 123.71 2.94 . . . . 62.31 112.164 -173.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -65.9 87.2 0.1 Allowed 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 123.612 0.765 . . . . 73.44 110.119 -177.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -85.22 64.31 4.21 Favored Glycine 0 C--N 1.349 1.25 0 CA-C-N 115.403 -0.817 . . . . 72.22 111.878 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.0 m -69.91 94.7 0.86 Allowed 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.728 0.811 . . . . 62.31 110.448 -178.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 104.73 -70.78 0.25 Allowed Glycine 0 C--N 1.339 0.722 0 N-CA-C 111.544 -0.622 . . . . 75.44 111.544 -178.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -133.29 135.14 7.89 Favored Glycine 0 C--N 1.351 1.371 0 CA-C-O 120.118 -0.268 . . . . 74.1 113.152 -175.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 3.9 mp -101.26 160.04 3.9 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.396 0 N-CA-C 108.175 -1.046 . . . . 70.24 108.175 176.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.42 32.49 0.64 Allowed 'General case' 0 CA--C 1.563 1.475 0 C-N-CA 124.422 1.089 . . . . 44.02 113.306 -175.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -147.57 -176.15 20.95 Favored Glycine 0 N--CA 1.482 1.764 0 O-C-N 121.754 -0.591 . . . . 74.54 113.554 -175.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 23.9 t -73.1 -21.47 60.74 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.566 0.747 . . . . 60.12 110.099 172.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . 0.524 HD11 ' HA ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -51.24 -37.91 18.68 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 124.759 1.224 . . . . 61.25 110.731 168.461 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -59.49 -41.53 90.07 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.827 0.851 . . . . 72.12 111.689 176.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.454 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 39.1 mt-10 -67.91 -48.59 65.55 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.505 0.722 . . . . 74.32 110.723 -177.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 14.8 t -66.26 -35.74 81.18 Favored 'General case' 0 N--CA 1.478 0.973 0 O-C-N 123.259 0.35 . . . . 72.55 111.138 -178.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 429' ' ' ILE . 38.9 t -57.7 -54.25 33.95 Favored 'Isoleucine or valine' 0 C--N 1.36 1.026 0 N-CA-C 108.946 -0.761 . . . . 61.13 108.946 171.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -53.16 -35.44 59.79 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 124.308 1.005 . . . . 65.04 111.947 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.454 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 26.4 mmt180 -66.88 -63.47 1.06 Allowed 'General case' 0 C--N 1.356 0.859 0 C-N-CA 122.73 0.412 . . . . 75.41 110.494 178.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 53.2 m-85 -68.69 -25.13 64.63 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 112.439 0.533 . . . . 72.25 112.439 -174.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -81.36 -39.47 25.02 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.101 0.96 . . . . 71.42 110.365 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.76 74.18 Favored 'General case' 0 C--N 1.35 0.592 0 N-CA-C 109.08 -0.711 . . . . 72.31 109.08 172.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 435' ' ' ARG . 26.3 mm-40 -59.23 -36.87 76.2 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.165 0.586 . . . . 52.41 111.127 177.532 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -63.75 -63.14 1.25 Allowed 'General case' 0 C--N 1.35 0.588 0 CA-C-N 116.199 -0.455 . . . . 74.11 109.943 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 38.3 m -60.36 -35.72 76.34 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 123.964 0.906 . . . . 71.12 112.671 -173.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -70.85 -50.85 30.87 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.405 0.682 . . . . 71.32 111.513 -178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.535 HD12 HD21 ' A' ' 34' ' ' LEU . 9.5 mp -70.22 -21.27 63.03 Favored 'General case' 0 N--CA 1.49 1.53 0 C-N-CA 122.63 0.372 . . . . 64.23 110.998 176.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.39 -43.62 18.72 Favored 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 123.962 0.905 . . . . 71.43 110.811 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 12.5 t -71.94 -31.14 66.03 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 109.476 -0.565 . . . . 71.13 109.476 177.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.618 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.8 ttt -61.77 -45.31 94.46 Favored 'General case' 0 C--N 1.356 0.849 0 O-C-N 123.834 0.709 . . . . 54.11 109.102 170.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.544 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 38.1 ttm -61.47 -50.49 72.52 Favored 'General case' 0 C--N 1.36 1.034 0 O-C-N 124.207 0.942 . . . . 61.54 112.751 -179.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 36.2 p -62.08 -42.21 98.97 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 123.022 0.529 . . . . 75.1 110.765 -176.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -70.35 -40.54 74.01 Favored 'General case' 0 C--O 1.218 -0.596 0 CA-C-N 115.416 -0.811 . . . . 61.12 111.049 176.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.618 HD23 ' HG2' ' A' ' 446' ' ' MET . 2.3 pp -74.64 -23.22 58.65 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 118.264 0.484 . . . . 63.04 110.868 -175.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -75.75 -41.77 52.29 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.87 0.868 . . . . 72.24 109.034 175.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 50.2 t30 -63.62 -44.18 94.66 Favored 'General case' 0 C--O 1.245 0.822 0 CA-C-N 114.937 -1.029 . . . . 65.35 110.363 176.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . 0.458 ' HB ' HG21 ' A' ' 44' ' ' ILE . 41.3 p -67.15 -57.94 5.81 Favored 'General case' 0 C--N 1.35 0.588 0 CA-C-O 118.23 -0.891 . . . . 73.22 109.626 -178.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.8 p -53.24 -31.26 42.52 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 123.528 0.731 . . . . 73.34 112.331 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . . . . . . . . . 47.7 t -59.7 -66.14 0.56 Allowed 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 123.079 0.552 . . . . 71.21 111.047 172.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . 0.408 ' CE1' ' HG3' ' A' ' 48' ' ' MET . 2.0 p90 -71.37 -20.72 62.12 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 112.383 0.512 . . . . 73.14 112.383 -175.745 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.557 HD21 HG23 ' A' ' 44' ' ' ILE . 56.8 mt -72.08 -43.62 64.54 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.367 0.667 . . . . 74.44 110.54 177.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . . . . . . . . . 6.4 t -73.11 -33.18 65.4 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 117.641 0.201 . . . . 72.41 111.021 -177.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -66.06 -49.04 69.02 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.264 0.626 . . . . 73.34 110.434 174.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . 0.404 ' NE2' HG21 ' A' ' 52' ' ' THR . 13.3 tm0? -71.16 -28.27 64.14 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.434 -0.803 . . . . 74.43 109.819 -178.259 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . 0.508 ' HB2' HG21 ' A' ' 68' ' ' ILE . 55.8 t80 -63.61 -43.05 98.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.479 0.712 . . . . 74.21 109.86 173.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 29.6 m -61.48 -37.41 83.53 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 123.663 0.602 . . . . 70.11 110.79 177.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -68.95 -53.93 18.1 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 112.026 0.38 . . . . 51.5 112.026 175.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.477 ' SD ' HG23 ' A' ' 64' ' ' VAL . 56.0 ttm -65.39 -34.55 78.58 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 123.638 0.775 . . . . 64.34 111.335 -172.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -80.91 -59.47 2.66 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.628 0.771 . . . . 73.44 109.283 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.45 77.56 1.59 Allowed 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.001 0.52 . . . . 63.43 111.855 176.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 56.1 m . . . . . 0 N--CA 1.485 1.32 0 C-N-CA 123.686 0.794 . . . . 73.14 112.486 166.863 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HB2' ' HB ' ' A' ' 4' ' ' THR . 18.8 ptt? . . . . . 0 N--CA 1.481 1.095 0 CA-C-O 121.393 0.616 . . . . 62.21 109.822 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 31.7 p -60.37 -56.83 16.65 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.663 0.785 . . . . 70.32 112.257 -170.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 m -60.03 -33.61 72.26 Favored 'General case' 0 CA--C 1.551 0.993 0 C-N-CA 124.055 0.942 . . . . 61.32 112.296 177.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.449 ' HB ' ' HB2' ' A' ' 1' ' ' MET . 33.8 m -74.78 -41.61 59.71 Favored 'General case' 0 CA--C 1.55 0.943 0 C-N-CA 123.574 0.749 . . . . 73.44 111.881 -176.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.5 p -74.46 -38.44 46.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 C-N-CA 122.326 0.251 . . . . 60.34 110.677 -176.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -66.6 -37.2 84.38 Favored 'General case' 0 N--CA 1.484 1.238 0 N-CA-C 110.083 -0.34 . . . . 74.2 110.083 175.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.435 ' CE2' HG11 ' A' ' 64' ' ' VAL . 76.0 t80 -53.98 -52.62 60.14 Favored 'General case' 0 CA--C 1.553 1.058 0 C-N-CA 124.141 0.977 . . . . 73.14 110.976 173.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.463 HG12 HG23 ' A' ' 60' ' ' ILE . 87.6 mt -55.81 -58.96 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.352 0 C-N-CA 123.928 0.891 . . . . 73.31 111.585 178.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -62.58 -42.24 99.44 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 114.665 -1.152 . . . . 72.04 112.28 -170.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.498 ' O ' HG13 ' A' ' 14' ' ' ILE . 67.0 mtm180 -77.04 -32.24 56.8 Favored 'General case' 0 C--O 1.212 -0.879 0 CA-C-O 118.621 -0.704 . . . . 74.31 110.836 -176.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.512 ' HH2' HD22 ' A' ' 457' ' ' LEU . 21.8 m95 -64.86 -39.89 94.26 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 118.465 0.575 . . . . 72.4 110.591 173.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.405 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 58.9 tt0 -53.58 -48.67 68.98 Favored 'General case' 0 N--CA 1.471 0.604 0 O-C-N 123.941 0.775 . . . . 72.3 109.342 171.078 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 74.9 mmt-85 -63.66 -40.65 97.36 Favored 'General case' 0 C--O 1.207 -1.17 0 CA-C-N 115.911 -0.586 . . . . 71.33 112.172 178.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 10' ' ' ARG . 96.4 mt -61.36 -41.08 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 C-N-CA 123.154 0.582 . . . . 61.42 110.344 -176.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.453 ' HB1' ' NE2' ' A' ' 70' ' ' GLN . . . -71.83 -41.88 67.64 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 123.139 0.575 . . . . 64.43 112.084 178.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 12' ' ' GLN . 95.0 mt -64.79 -42.13 95.28 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.046 0.538 . . . . 64.4 110.812 178.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.495 ' O ' ' HG ' ' A' ' 21' ' ' LEU . 94.7 mt -69.42 -47.9 62.67 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.87 0.868 . . . . 75.21 109.964 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.439 ' HB3' ' CE1' ' A' ' 40' ' ' TYR . 75.5 p -55.99 -42.86 77.0 Favored 'General case' 0 N--CA 1.481 1.114 0 O-C-N 123.838 0.711 . . . . 70.11 111.167 -179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -58.65 -53.57 56.87 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 115.256 -0.883 . . . . 71.11 111.114 174.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.43 ' O ' ' HG ' ' A' ' 24' ' ' LEU . 68.3 m -60.25 -51.17 70.69 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.336 0.655 . . . . 75.22 112.173 -174.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.666 ' HB2' HD12 ' A' ' 33' ' ' LEU . 3.9 pp -71.87 -26.5 62.37 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 122.664 0.386 . . . . 65.33 111.782 -176.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.87 -43.35 99.04 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 123.279 0.362 . . . . 73.03 110.103 173.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -58.75 -45.07 90.54 Favored 'General case' 0 C--N 1.351 0.668 0 CA-C-N 115.383 -0.826 . . . . 64.35 109.812 173.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 32' ' ' LEU . 63.8 mt -66.92 -29.8 69.77 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.67 0.788 . . . . 73.13 112.006 -178.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.525 ' HB2' HD13 ' A' ' 33' ' ' LEU . . . -73.67 -43.76 58.52 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 123.583 0.753 . . . . 71.14 111.039 178.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -79.99 -14.92 58.2 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-N 116.029 -0.532 . . . . 64.45 111.031 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -78.4 -25.27 46.09 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.503 0.721 . . . . 75.32 109.694 167.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 97.42 -5.8 62.88 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-N 115.834 -0.621 . . . . 40.22 113.384 176.214 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -75.95 88.05 2.92 Favored 'General case' 0 C--O 1.242 0.698 0 N-CA-C 109.54 -0.541 . . . . 74.14 109.54 176.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.465 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 22.3 m95 -64.68 -37.8 88.82 Favored 'General case' 0 C--O 1.206 -1.206 0 CA-C-N 115.07 -0.968 . . . . 71.23 109.931 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -55.25 -44.35 75.47 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.377 1.071 . . . . 64.35 111.868 179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.567 ' HB3' HD13 ' A' ' 24' ' ' LEU . 84.1 mt -72.19 -39.56 68.53 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-N 115.782 -0.645 . . . . 74.21 110.74 179.03 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.666 HD12 ' HB2' ' A' ' 21' ' ' LEU . 38.0 tp -56.75 -46.01 81.66 Favored 'General case' 0 N--CA 1.486 1.331 0 C-N-CA 124.319 1.048 . . . . 75.53 111.478 174.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.556 HD21 HD12 ' A' ' 443' ' ' LEU . 55.6 mt -77.19 -24.22 51.4 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.511 1.124 . . . . 63.24 110.901 -175.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.6 tp-100 -67.91 -37.82 82.16 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 115.896 -0.593 . . . . 72.21 110.085 172.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 79.7 mm-40 -82.86 -21.58 34.3 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.204 0.602 . . . . 74.43 111.379 178.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' HG3' ' HG3' ' A' ' 446' ' ' MET . 30.3 tt0 -50.89 -52.89 37.46 Favored 'General case' 0 N--CA 1.485 1.315 0 C-N-CA 124.371 1.068 . . . . 71.15 111.402 178.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.7 m -60.86 -45.42 98.14 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 114.791 -1.095 . . . . 75.44 111.601 -172.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 36.7 p -69.69 -41.1 75.87 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.306 0.642 . . . . 72.43 110.986 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . 0.439 ' CE1' ' HB3' ' A' ' 18' ' ' SER . 32.8 t80 -62.17 -63.66 1.17 Allowed 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.953 1.301 . . . . 73.45 111.737 -177.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 96.8 mt -60.75 -40.61 93.08 Favored 'General case' 0 CA--C 1.544 0.746 0 CA-C-N 115.628 -0.714 . . . . 75.4 110.721 -178.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -53.17 -48.3 68.12 Favored 'General case' 0 N--CA 1.488 1.463 0 C-N-CA 123.263 0.625 . . . . 72.11 111.113 177.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.472 ' HA ' HG22 ' A' ' 46' ' ' THR . 71.1 m -62.15 -36.82 83.0 Favored 'General case' 0 C--O 1.246 0.876 0 O-C-N 124.048 0.842 . . . . 74.13 111.534 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.2 mt -63.36 -51.26 73.17 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.011 0 O-C-N 123.276 0.36 . . . . 75.33 110.808 176.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -64.98 -31.59 72.91 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 112.605 0.595 . . . . 74.03 112.605 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.472 HG22 ' HA ' ' A' ' 43' ' ' SER . 14.5 t -84.23 -23.78 30.31 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-N 118.413 0.551 . . . . 61.21 112.166 -174.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 34.4 m -77.59 -33.3 19.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 CA-C-N 118.54 0.609 . . . . 71.24 109.916 168.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.454 ' HG3' ' HE1' ' A' ' 456' ' ' TYR . 23.6 mmt -91.35 0.07 57.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 123.655 0.782 . . . . 72.11 112.781 -178.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -70.65 -30.53 67.17 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-O 121.449 0.642 . . . . 60.42 109.444 167.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -104.76 -4.93 21.74 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 123.907 0.883 . . . . 64.53 110.954 175.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 54.81 36.02 25.52 Favored 'General case' 0 N--CA 1.489 1.476 0 C-N-CA 125.099 1.36 . . . . 73.23 112.719 171.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 90.9 m 69.93 112.6 0.03 OUTLIER Pre-proline 0 CA--C 1.559 1.322 0 C-N-CA 124.395 1.078 . . . . 63.44 110.818 -174.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.515 ' O ' HG12 ' A' ' 56' ' ' ILE . 33.6 Cg_endo -63.34 144.78 91.97 Favored 'Trans proline' 0 C--N 1.379 2.176 0 C-N-CA 122.353 2.036 . . . . 75.43 111.681 175.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -70.31 2.99 3.31 Favored 'Trans proline' 0 N--CA 1.5 1.869 0 C-N-CA 123.04 2.493 . . . . 54.44 114.945 -177.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -104.83 28.14 16.02 Favored Glycine 0 C--N 1.345 1.05 0 CA-C-N 117.629 0.195 . . . . 51.35 113.365 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.515 HG12 ' O ' ' A' ' 53' ' ' PRO . 37.2 mm -81.59 106.5 12.72 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 C-N-CA 123.044 0.538 . . . . 74.23 109.662 176.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 12.0 t -75.78 166.9 22.85 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.174 0.59 . . . . 74.31 110.167 177.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.558 ' H ' ' HD3' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -67.82 -23.42 65.18 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 113.28 0.844 . . . . 74.21 113.28 -165.841 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 40.3 t -70.38 -48.57 55.6 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 122.496 0.318 . . . . 51.11 110.418 174.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.463 HG23 HG12 ' A' ' 8' ' ' ILE . 81.6 mt -64.23 -40.81 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.914 0 C-N-CA 123.644 0.777 . . . . 72.23 110.009 179.131 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.32 -39.95 92.4 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.942 1.297 . . . . 75.22 111.114 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -69.23 -41.83 76.49 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.162 0.585 . . . . 73.12 110.922 179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.41 ' HE2' ' HA ' ' A' ' 60' ' ' ILE . 58.6 mtm -60.14 -55.2 36.77 Favored 'General case' 0 N--CA 1.478 0.955 0 O-C-N 123.576 0.547 . . . . 72.2 110.087 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 68' ' ' ILE . 23.9 m -71.42 -28.36 31.65 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.26 0 CA-C-N 115.483 -0.781 . . . . 74.31 111.549 -174.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.94 91.9 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 118.201 0.455 . . . . 63.32 110.091 172.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' A' ' 70' ' ' GLN . . . -58.9 -47.34 91.08 Favored Glycine 0 C--N 1.352 1.47 0 CA-C-N 115.649 -0.705 . . . . 53.23 111.934 171.299 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -66.54 -36.33 82.42 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.239 0.616 . . . . 74.02 112.35 -177.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 64' ' ' VAL . 68.7 mt -70.97 -42.01 77.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 109.161 -0.681 . . . . 75.14 109.161 -179.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.82 -42.58 97.99 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.249 0.62 . . . . 73.15 110.464 178.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.453 ' NE2' ' HB1' ' A' ' 15' ' ' ALA . 28.2 mt-30 -61.59 -50.43 72.62 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 116.028 -0.533 . . . . 75.35 110.75 177.141 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.7 t -68.54 -34.21 75.45 Favored 'General case' 0 C--O 1.208 -1.121 0 O-C-N 123.796 0.685 . . . . 62.22 110.672 -173.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.1 mt -64.8 -42.46 95.01 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 123.292 0.637 . . . . 74.11 110.969 176.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.71 -48.77 70.87 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 123.43 0.692 . . . . 74.42 110.588 -179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.43 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 15.9 m120 -66.76 -40.61 88.3 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 123.276 0.631 . . . . 74.44 111.006 -178.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.505 ' HA ' HD12 ' A' ' 78' ' ' LEU . 36.0 tt0 -74.47 -25.3 59.31 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.452 1.101 . . . . 52.44 111.159 -177.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.26 -42.51 75.5 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.47 0.708 . . . . 65.32 109.567 170.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 94.9 mt -65.64 -33.23 75.4 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 115.473 -0.785 . . . . 65.25 111.529 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.505 HD12 ' HA ' ' A' ' 75' ' ' GLU . 89.0 mt -66.57 -45.39 79.44 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 109.793 -0.447 . . . . 74.14 109.793 174.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.54 -50.76 67.14 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.629 0.772 . . . . 71.04 110.588 178.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.64 -52.3 35.39 Favored Glycine 0 CA--C 1.535 1.331 0 CA-C-N 116.451 -0.341 . . . . 73.0 113.645 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 6.6 tt -60.67 -57.71 11.57 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.124 0.969 . . . . 63.01 110.247 -175.181 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 74.5 mt -63.35 -30.3 71.46 Favored 'General case' 0 C--O 1.209 -1.048 0 CA-C-O 118.648 -0.692 . . . . 71.21 111.164 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -61.77 -42.33 98.85 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 118.685 0.675 . . . . 74.13 111.398 176.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -60.71 -45.91 92.43 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.783 -0.644 . . . . 65.31 110.265 174.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 81' ' ' LEU . 1.2 mmp_? -62.68 -46.27 88.92 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.654 -0.703 . . . . 74.35 111.214 -178.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.5 mt -64.04 -38.85 92.58 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.044 0.938 . . . . 75.52 111.128 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.06 -45.52 93.2 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.73 0.812 . . . . 75.05 110.344 179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.458 ' O ' ' HG ' ' A' ' 92' ' ' LEU . 41.1 mt-10 -65.14 -48.29 74.06 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.154 -0.93 . . . . 74.31 110.708 178.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 98.8 mt -60.21 -36.17 77.08 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.144 0.577 . . . . 74.1 110.619 177.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -69.12 -34.06 74.44 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.031 0.933 . . . . 74.15 110.759 -178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.7 t -68.81 -37.28 79.11 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.202 0.601 . . . . 65.45 110.227 175.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 88' ' ' GLU . 72.6 mt -66.29 -55.54 15.58 Favored 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 116.048 -0.524 . . . . 71.3 109.91 177.797 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 91.4 mt -58.94 -42.4 85.87 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.173 0 C-N-CA 124.994 1.318 . . . . 64.4 111.334 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -57.77 -34.12 69.93 Favored Glycine 0 CA--C 1.533 1.167 0 CA-C-N 116.211 -0.449 . . . . 34.34 113.552 -179.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -86.85 -44.14 11.93 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 122.954 0.502 . . . . 61.21 111.324 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.574 HG23 HG22 ' A' ' 433' ' ' VAL . 21.6 m -90.16 -30.27 5.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.326 0 N-CA-C 113.189 0.811 . . . . 74.34 113.189 -167.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 7.5 tt -80.58 113.28 18.66 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 108.02 -1.104 . . . . 63.45 108.02 174.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -99.39 110.75 23.22 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.021 -1.103 . . . . 73.51 108.021 174.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -106.19 -9.25 16.98 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.367 0.667 . . . . 62.44 111.47 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -170.82 -74.15 0.04 OUTLIER Glycine 0 C--N 1.346 1.123 0 CA-C-O 119.682 -0.51 . . . . 71.15 112.784 -177.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 64.0 Cg_endo -83.37 -174.39 1.96 Allowed 'Trans proline' 0 C--N 1.37 1.659 0 C-N-CA 122.643 2.229 . . . . 73.23 112.779 178.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.5 m 63.45 22.84 13.42 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.721 1.208 . . . . 74.23 112.528 177.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -143.83 147.59 34.31 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.907 0.883 . . . . 73.24 109.887 179.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.95 -48.6 53.38 Favored Glycine 0 C--N 1.351 1.377 0 O-C-N 123.579 0.55 . . . . 23.45 111.902 176.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 2.6 pp -78.59 170.17 17.08 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.255 0.622 . . . . 73.15 110.326 170.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 60.7 t -89.15 102.81 4.64 Favored Pre-proline 0 CA--C 1.548 0.904 0 N-CA-C 108.161 -1.051 . . . . 54.22 108.161 169.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 93.2 Cg_endo -78.14 126.14 7.61 Favored 'Trans proline' 0 C--N 1.37 1.664 0 C-N-CA 122.775 2.317 . . . . 74.12 111.713 -179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 13.2 tpp85 -154.45 44.52 0.53 Allowed 'General case' 0 C--O 1.244 0.799 0 N-CA-C 108.178 -1.045 . . . . 75.33 108.178 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.635 ' HA3' HG13 ' A' ' 113' ' ' ILE . . . -59.87 -27.35 64.27 Favored Glycine 0 C--N 1.351 1.37 0 CA-C-N 114.009 -1.45 . . . . 60.22 112.639 175.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 62.8 p 51.59 32.33 8.92 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 125.077 1.351 . . . . 51.24 112.149 175.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 88.32 45.55 4.96 Favored Glycine 0 C--N 1.35 1.354 0 CA-C-N 115.281 -0.872 . . . . 30.21 111.846 -174.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -176.13 64.54 0.1 OUTLIER Glycine 0 C--N 1.348 1.245 0 N-CA-C 111.616 -0.594 . . . . 51.22 111.616 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . 0.635 HG13 ' HA3' ' A' ' 109' ' ' GLY . 3.6 mp -101.39 149.96 6.19 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.058 0 C-N-CA 123.732 0.813 . . . . 61.21 108.972 -178.536 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -87.24 106.2 17.74 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.429 0.633 . . . . 71.13 110.123 176.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 145.88 -178.28 23.71 Favored Glycine 0 C--N 1.344 0.989 0 CA-C-N 115.705 -0.68 . . . . 55.22 112.103 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' SER . . . . . . . . . . . . . 23.2 t -72.07 -19.88 61.75 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.633 0.773 . . . . 74.53 110.305 174.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -55.97 -43.23 74.37 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 124.005 0.922 . . . . 75.51 110.886 175.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -57.21 -50.32 73.24 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.316 0.646 . . . . 73.12 110.971 179.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' A' ' 435' ' ' ARG . 29.5 mt-10 -65.82 -54.19 30.06 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 124.463 1.102 . . . . 75.51 111.316 -173.204 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . . . . . . . . . 13.1 t -62.84 -39.39 94.22 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 111.759 0.281 . . . . 63.01 111.759 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' VAL . . . . . 0.574 HG22 HG23 ' A' ' 96' ' ' VAL . 51.0 t -64.77 -45.88 93.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 122.777 0.431 . . . . 60.12 110.138 174.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' ALA . . . . . . . . . . . . . . . -64.03 -30.33 71.42 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.641 0.776 . . . . 70.45 111.786 -178.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' ARG . . . . . 0.494 ' HG2' ' O ' ' A' ' 431' ' ' GLU . 79.2 mmt-85 -69.38 -55.81 9.3 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 123.347 0.404 . . . . 73.54 109.969 178.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -66.44 -30.2 70.51 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 123.227 0.329 . . . . 74.34 111.679 -179.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -74.0 -43.2 58.85 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.28 0.632 . . . . 72.02 110.444 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' ALA . . . . . . . . . . . . . . . -65.38 -48.61 72.28 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 122.644 0.378 . . . . 74.12 110.641 178.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -60.75 -40.17 91.47 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 123.421 0.45 . . . . 71.52 111.049 179.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -57.71 -59.23 5.53 Favored 'General case' 0 C--N 1.35 0.624 0 N-CA-C 109.463 -0.569 . . . . 70.01 109.463 174.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' THR . . . . . . . . . . . . . 86.1 m -59.72 -33.28 71.43 Favored 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.168 0.987 . . . . 52.43 112.782 -173.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -75.25 -48.53 22.92 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.678 0.791 . . . . 64.35 111.443 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' LEU . . . . . 0.556 HD12 HD21 ' A' ' 34' ' ' LEU . 9.3 mp -69.35 -21.89 63.79 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 122.641 0.376 . . . . 51.51 110.478 175.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -81.21 -42.8 20.22 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.588 1.155 . . . . 74.21 111.419 -178.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . . . . . . . . . 13.0 t -71.06 -35.87 72.08 Favored 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 109.276 -0.639 . . . . 73.21 109.276 177.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' MET . . . . . 0.676 ' HG2' HD23 ' A' ' 450' ' ' LEU . 25.7 ttt -58.91 -46.24 88.38 Favored 'General case' 0 C--N 1.355 0.84 0 O-C-N 123.849 0.718 . . . . 74.14 109.49 171.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' MET . . . . . 0.471 ' HA ' ' HG ' ' A' ' 450' ' ' LEU . 19.6 ttm -61.35 -54.09 48.25 Favored 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.282 0.989 . . . . 72.44 112.662 -177.437 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' SER . . . . . . . . . . . . . 30.7 p -58.49 -40.17 82.02 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 122.932 0.493 . . . . 64.31 111.163 -177.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' LYS . . . . . 0.449 ' HB3' ' NZ ' ' A' ' 449' ' ' LYS . 8.9 mtpm? -69.36 -45.92 68.22 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 115.456 -0.793 . . . . 62.21 111.454 177.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' LEU . . . . . 0.676 HD23 ' HG2' ' A' ' 446' ' ' MET . 3.0 pp -72.34 -19.75 61.59 Favored 'General case' 0 N--CA 1.483 1.201 0 O-C-N 123.057 0.223 . . . . 61.41 111.039 -176.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -75.67 -47.98 24.0 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.879 0.872 . . . . 64.33 109.415 176.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -44.05 97.96 Favored 'General case' 0 C--O 1.25 1.13 0 CA-C-N 114.67 -1.15 . . . . 74.43 109.465 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' THR . . . . . . . . . . . . . 54.6 p -64.36 -60.47 3.14 Favored 'General case' 0 C--O 1.217 -0.606 0 CA-C-O 118.434 -0.794 . . . . 63.15 110.352 -179.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' SER . . . . . . . . . . . . . 79.1 p -52.13 -30.48 26.67 Favored 'General case' 0 N--CA 1.486 1.349 0 C-N-CA 123.459 0.704 . . . . 73.44 112.277 -177.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 458' ' ' THR . 34.9 t -60.45 -65.29 0.71 Allowed 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 122.968 0.507 . . . . 50.13 110.423 172.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' TYR . . . . . 0.454 ' HE1' ' HG3' ' A' ' 48' ' ' MET . 6.4 p90 -71.28 -20.63 62.19 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 112.502 0.556 . . . . 64.22 112.502 -176.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' LEU . . . . . 0.512 HD22 ' HH2' ' A' ' 11' ' ' TRP . 64.9 mt -75.54 -38.25 59.44 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.711 0.804 . . . . 73.02 110.393 178.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 455' ' ' SER . 2.5 t -73.91 -35.12 64.61 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 110.164 -0.31 . . . . 71.31 110.164 -178.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -65.33 -43.88 89.56 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.322 0.582 . . . . 72.31 110.097 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -57.64 -43.96 85.25 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 114.708 -1.133 . . . . 72.35 110.673 175.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -63.93 -38.18 90.13 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.388 -0.824 . . . . 73.11 110.807 -178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' THR . . . . . . . . . . . . . 4.3 m -63.0 -47.03 84.88 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 123.314 0.384 . . . . 64.32 110.891 -179.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' ALA . . . . . . . . . . . . . . . -71.06 -52.08 21.56 Favored 'General case' 0 N--CA 1.481 1.091 0 O-C-N 123.401 0.438 . . . . 73.11 111.799 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' MET . . . . . 0.426 ' SD ' HG23 ' A' ' 64' ' ' VAL . 53.8 ttm -62.14 -35.66 79.43 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 123.345 0.658 . . . . 73.51 111.617 -174.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' ASN . . . . . . . . . . . . . 49.4 t-20 -79.47 -59.78 2.62 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 109.051 -0.722 . . . . 51.43 109.051 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.76 80.79 1.99 Allowed 'General case' 0 CA--C 1.565 1.554 0 N-CA-C 113.429 0.9 . . . . 61.33 113.429 176.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.49 1.565 0 O-C-N 120.839 -1.163 . . . . 73.21 109.354 161.942 . . . . . . . . 0 0 . 1 stop_ save_