data_3zbe_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 3zbe _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 ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 112.076 0.399 . . . . 20.0 112.076 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -63.34 -45.62 90.36 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.001 -0.28 . . . . 20.0 110.731 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -61.76 -41.23 97.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.386 -0.37 . . . . 20.0 110.427 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -60.42 -45.03 95.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.14 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.8 t -59.82 -42.58 93.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.413 -0.358 . . . . 20.0 110.628 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -66.07 -41.09 91.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.486 -0.324 . . . . 20.0 110.955 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -49.54 53.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 20.0 111.066 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -47.67 80.72 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.696 0.284 . . . . 20.0 111.45 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -68.76 -43.23 76.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.117 -0.492 . . . . 20.0 111.024 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.28 -45.56 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.685 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.0 ttp-105 -62.68 -33.63 75.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 20.0 111.127 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.8 63.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.103 0.478 . . . . 20.0 110.656 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -76.29 -37.27 57.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.762 -0.654 . . . . 20.0 111.06 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.9 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.005 0.431 . . . . 20.0 110.853 -179.104 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.4 p80 . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 112.136 0.421 . . . . 20.0 112.136 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.75 -69.88 0.78 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.704 0.631 . . . . 20.0 112.704 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.4 mm-40 -85.99 -31.51 22.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.971 -0.558 . . . . 20.0 111.433 -170.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.8 t -74.87 -34.35 32.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.452 -0.499 . . . . 20.0 109.77 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.01 -39.1 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.662 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 14.4 ptm180 -67.62 -23.23 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.779 0.323 . . . . 20.0 110.206 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 99.7 mtt180 -78.54 -43.04 27.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.206 -0.452 . . . . 20.0 109.931 176.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -34.81 78.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.322 174.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.28 72.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.648 -0.705 . . . . 20.0 111.089 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.53 -41.1 93.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.2 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -65.66 -48.02 73.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.684 . . . . 20.0 110.589 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.635 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 26.9 m-85 -64.1 -32.89 74.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.799 0.333 . . . . 20.0 110.774 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.81 72.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 20.0 111.311 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -17.61 59.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 20.0 110.957 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.3 ttt -79.31 -17.51 54.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 20.0 109.858 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.599 -0.728 . . . . 20.0 109.791 178.06 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.969 0.414 . . . . 20.0 110.279 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.595 ' O ' ' HB2' ' A' ' 21' ' ' TYR . 25.9 mp0 -62.3 -28.65 69.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 20.0 110.434 176.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -79.93 -43.43 22.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.991 -0.55 . . . . 20.0 110.159 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.34 -45.72 80.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 20.0 110.527 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 m -81.24 -12.83 59.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 20.0 111.209 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.63 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 35.9 t80 -73.31 -17.1 61.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.57 -0.286 . . . . 20.0 110.93 -176.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.525 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 53.4 m-80 -54.44 -31.69 55.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 20.0 110.731 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.08 -35.83 82.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 20.0 111.058 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -76.01 -31.08 58.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.928 0.394 . . . . 20.0 110.375 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.22 -36.91 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.977 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 29.7 mmm180 -63.68 -35.36 80.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.626 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.43 -21.33 42.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.224 -0.444 . . . . 20.0 111.243 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -71.21 -14.23 62.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.024 -0.535 . . . . 20.0 111.378 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.234 0.265 0 CA-C-N 116.691 -0.231 . . . . 20.0 111.204 -179.692 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 N--CA 1.462 0.152 0 N-CA-C 111.796 0.295 . . . . 20.0 111.796 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.44 -38.07 86.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 20.0 110.331 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -68.72 -43.68 75.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.012 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.25 -42.73 94.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 20.0 110.544 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.48 -42.57 98.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.986 -0.552 . . . . 20.0 110.576 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -67.16 -41.34 86.18 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 120.865 -0.334 . . . . 20.0 110.134 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -55.07 -46.11 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.994 -0.548 . . . . 20.0 110.131 -179.109 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.5 mmt -66.12 -39.54 89.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.203 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.02 97.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.106 0.479 . . . . 20.0 110.808 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -76.75 -29.21 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.57 -0.741 . . . . 20.0 110.299 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -75.93 -46.74 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.19 -0.913 . . . . 20.0 111.573 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -71.5 -9.88 58.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 20.0 111.466 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.08 67.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.457 -0.338 . . . . 20.0 110.764 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -67.98 -19.57 64.96 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.131 -0.486 . . . . 20.0 111.147 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 42.5 ttm -67.77 -30.42 69.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.214 0.53 . . . . 20.0 109.863 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.607 -0.724 . . . . 20.0 109.985 177.382 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.557 0.218 . . . . 20.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.94 -45.54 94.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.421 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -64.93 -43.15 93.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.67 -0.696 . . . . 20.0 110.265 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -74.29 -15.15 60.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 20.0 111.326 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.8 m -90.2 -40.97 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.949 0.404 . . . . 20.0 110.067 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -73.4 -35.49 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.872 -0.603 . . . . 20.0 111.795 -174.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -62.66 -32.3 73.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.051 0.453 . . . . 20.0 109.969 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -67.03 -36.67 82.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -73.03 -35.52 66.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.78 -0.645 . . . . 20.0 109.975 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.98 -38.26 90.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.834 -0.621 . . . . 20.0 110.264 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.66 -35.5 67.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.465 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.45 73.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.992 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -63.95 -27.31 69.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.798 -0.637 . . . . 20.0 110.039 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.0 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.804 -0.634 . . . . 20.0 110.531 177.144 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.2 m170 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.983 0.421 . . . . 20.0 109.892 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.66 -25.01 67.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.606 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.417 ' OE1' ' HD2' ' A' ' 47' ' ' ARG . 8.2 tp10 -64.32 -35.83 82.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.171 0.51 . . . . 20.0 110.088 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.53 -43.91 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 20.0 110.399 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.2 -35.74 81.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 20.0 109.957 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.417 ' HD2' ' OE1' ' A' ' 44' ' ' GLU . 44.2 ttm180 -64.29 -37.43 87.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.526 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -71.21 -32.52 68.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.753 0.311 . . . . 20.0 110.501 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.4 mmt -70.38 -25.47 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.524 0.678 . . . . 20.0 109.776 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.27 -6.37 56.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.078 -0.965 . . . . 20.0 111.555 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.36 -32.78 5.18 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.508 0.559 . . . . 20.0 112.508 -174.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -58.92 -52.74 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 20.0 111.043 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.621 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 96.7 m-85 -77.24 -25.05 51.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.394 0.616 . . . . 20.0 110.236 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.579 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -68.96 -15.2 63.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.45 -0.796 . . . . 20.0 111.485 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -63.47 -27.84 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.068 0.461 . . . . 20.0 109.84 175.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.5 mmt -90.9 10.56 25.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.578 -0.737 . . . . 20.0 111.759 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 7.9 ptp85 . . . . . 0 N--CA 1.465 0.28 0 O-C-N 122.281 -0.262 . . . . 20.0 111.481 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.224 -0.266 0 CA-C-O 120.567 0.222 . . . . 20.0 110.697 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -56.48 -35.49 68.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 20.0 110.813 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -72.68 -34.77 67.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.135 0.493 . . . . 20.0 110.632 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.418 HD21 ' N ' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -87.77 -25.7 23.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.884 -0.598 . . . . 20.0 111.061 -177.29 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.3 m -90.07 -11.59 40.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.417 -0.356 . . . . 20.0 111.257 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.39 -35.0 69.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.444 -0.343 . . . . 20.0 110.994 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.575 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 21.7 p30 -62.87 -27.91 69.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.491 -0.322 . . . . 20.0 111.272 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.477 ' OE1' ' HD3' ' A' ' 26' ' ' ARG . 7.8 tp10 -74.65 -40.28 61.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.143 0.497 . . . . 20.0 109.722 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -67.37 -26.71 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.248 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.2 tm? -71.0 -37.69 72.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.811 -0.632 . . . . 20.0 109.626 177.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 63.3 mtp180 -66.01 -19.02 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.058 0.456 . . . . 20.0 110.69 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.85 -14.19 62.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.722 -0.672 . . . . 20.0 111.462 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 57.2 pttt -76.36 -19.2 58.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.019 0.438 . . . . 20.0 110.138 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.437 0.637 . . . . 20.0 109.708 178.439 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.698 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 12.7 p-80 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.162 -0.31 . . . . 20.0 110.162 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -60.73 -26.92 67.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.118 -0.492 . . . . 20.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.86 -36.08 79.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.722 -0.672 . . . . 20.0 110.138 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 t -91.29 -27.63 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.401 -0.818 . . . . 20.0 111.388 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.698 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 34.5 mm-40 -50.56 -34.55 26.1 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.04 -0.527 . . . . 20.0 112.198 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -57.08 -30.83 64.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 20.0 111.159 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -91.23 -39.98 11.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.168 0.508 . . . . 20.0 110.186 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.6 mmt -64.72 -40.56 95.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.775 -0.648 . . . . 20.0 111.381 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.26 -28.84 68.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.946 0.403 . . . . 20.0 111.164 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -80.41 -46.01 16.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.649 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 4.8 mmp_? -68.4 -45.49 72.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.068 -0.514 . . . . 20.0 111.156 -177.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.554 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 23.7 m-85 -72.36 -19.69 61.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.183 -0.462 . . . . 20.0 111.36 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.67 78.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.094 0.473 . . . . 20.0 110.479 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.88 -28.49 62.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.664 -0.698 . . . . 20.0 110.751 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 63.0 mtt -91.42 6.09 46.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.78 -0.646 . . . . 20.0 111.505 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 63.9 mtp180 . . . . . 0 C--N 1.327 -0.386 0 N-CA-C 112.04 0.385 . . . . 20.0 112.04 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.256 0.55 . . . . 20.0 110.001 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -68.35 -40.48 81.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.55 -0.75 . . . . 20.0 110.217 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -69.63 -25.9 64.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.873 -0.603 . . . . 20.0 111.488 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -38.84 90.27 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.927 -0.309 . . . . 20.0 110.175 175.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.6 m -79.57 -33.27 41.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.06 0.457 . . . . 20.0 110.366 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -66.48 -34.93 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 20.0 109.775 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.08 -37.45 77.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.446 -0.797 . . . . 20.0 111.503 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.41 -40.77 96.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.132 0.491 . . . . 20.0 110.193 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -71.61 -34.75 70.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 20.0 109.934 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.0 tp -70.09 -11.71 61.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.441 -0.799 . . . . 20.0 111.094 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.529 ' O ' HG13 ' A' ' 29' ' ' VAL . 56.8 ttt180 -67.53 -18.09 64.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.108 0.48 . . . . 20.0 110.709 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.46 -23.33 50.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.17 0.51 . . . . 20.0 110.591 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -76.53 -24.31 53.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.716 -0.675 . . . . 20.0 111.013 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 26' ' ' ARG . 9.9 p . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.35 0.595 . . . . 20.0 110.275 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.5 m80 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 111.669 0.248 . . . . 20.0 111.669 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.657 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 15.0 t70 -62.65 -47.3 84.3 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.623 0.249 . . . . 20.0 110.836 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 17.6 tp10 -56.19 -46.39 79.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.87 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.11 -42.9 85.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.097 -0.501 . . . . 20.0 111.02 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -59.73 -39.95 86.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.681 . . . . 20.0 111.494 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 22.2 mmt180 -73.15 -29.95 63.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.794 0.33 . . . . 20.0 110.607 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 92.7 mtt180 -72.56 -42.66 64.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.051 0.453 . . . . 20.0 110.078 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 89.8 mmm -67.71 -27.7 67.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.777 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.89 -41.99 79.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 20.0 111.353 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.06 -28.5 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 20.0 110.621 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -75.94 -44.64 39.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.748 -0.66 . . . . 20.0 109.735 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -67.81 -23.3 65.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.489 -0.778 . . . . 20.0 110.88 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.54 71.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 20.0 111.09 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -84.49 -19.65 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.117 0.484 . . . . 20.0 110.568 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.2 mtp -76.21 -10.54 59.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.969 -0.559 . . . . 20.0 110.351 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.627 176.517 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 CA--C 1.528 0.101 0 N-CA-C 112.265 0.468 . . . . 20.0 112.265 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -68.96 -28.1 66.32 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.729 -0.388 . . . . 20.0 110.819 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -70.65 -43.09 69.89 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.086 -0.709 . . . . 20.0 109.086 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.45 -24.85 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 20.0 110.061 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 m -71.44 -27.43 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.824 -0.625 . . . . 20.0 110.401 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -77.66 -23.29 49.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.536 -0.302 . . . . 20.0 110.654 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.43 -36.67 83.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.552 0.692 . . . . 20.0 109.382 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.7 -41.5 83.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.995 -1.002 . . . . 20.0 110.437 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.471 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 92.0 m95 -68.72 -30.84 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.702 176.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.65 -43.32 89.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.367 -0.378 . . . . 20.0 110.229 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -70.56 -25.84 63.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.949 0.404 . . . . 20.0 110.461 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.62 -16.65 60.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 20.0 111.1 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 67.3 mttm -69.36 -10.61 58.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 20.0 111.255 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.158 0.504 . . . . 20.0 110.426 176.44 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.621 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 62.8 m170 . . . . . 0 CA--C 1.518 -0.264 0 N-CA-C 110.356 -0.238 . . . . 20.0 110.356 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -62.72 -29.48 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.517 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.35 -42.24 79.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.798 -0.637 . . . . 20.0 109.752 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.15 -35.86 73.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.194 -0.912 . . . . 20.0 110.596 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 34.7 mt-10 -57.36 -32.77 67.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 20.0 111.684 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -71.14 -25.89 62.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.021 0.439 . . . . 20.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 48' ' ' ARG . 3.3 mmp_? -89.96 -41.27 11.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.414 0.625 . . . . 20.0 110.154 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.585 ' SD ' ' HD3' ' A' ' 52' ' ' ARG . 39.4 tpp -67.14 -18.81 65.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.238 -0.892 . . . . 20.0 110.338 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.47 -38.49 44.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.372 -0.831 . . . . 20.0 111.76 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.7 -37.85 85.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 20.0 111.054 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.585 ' HD3' ' SD ' ' A' ' 49' ' ' MET . 53.4 mtp180 -75.72 -39.42 57.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 20.0 110.329 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -62.33 -44.63 96.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.36 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.95 99.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.17 -0.468 . . . . 20.0 111.398 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -68.01 -33.52 74.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.733 0.301 . . . . 20.0 111.226 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 56.2 ttp -76.47 -38.96 54.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.236 0.541 . . . . 20.0 110.301 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.426 -0.806 . . . . 20.0 110.348 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 N--CA 1.462 0.139 0 N-CA-C 112.362 0.504 . . . . 20.0 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -59.55 -44.96 93.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 20.0 110.783 -175.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -78.56 -37.9 41.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 20.0 110.947 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -64.27 -40.89 96.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.297 -0.411 . . . . 20.0 110.677 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.3 p -72.64 -21.35 61.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.582 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -72.32 -36.86 68.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.524 -0.547 . . . . 20.0 109.524 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -66.1 -39.08 89.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 20.0 109.837 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.72 -36.39 83.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 20.0 109.686 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -67.75 -32.92 73.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 20.0 110.61 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.54 -30.03 69.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.233 0.54 . . . . 20.0 109.999 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -79.99 -24.92 40.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.757 -0.656 . . . . 20.0 110.25 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.26 -15.51 60.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.201 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -72.47 -31.74 65.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.927 -0.768 . . . . 20.0 108.927 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.234 -0.893 . . . . 20.0 110.216 176.299 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 112.332 0.494 . . . . 20.0 112.332 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.43 -41.02 80.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 20.0 110.269 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -79.91 -32.36 40.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.753 -0.658 . . . . 20.0 110.727 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.0 t -55.45 -47.09 78.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.883 0.373 . . . . 20.0 110.258 176.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.75 -45.2 92.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.684 -0.689 . . . . 20.0 110.489 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -60.93 -45.28 95.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.955 -0.566 . . . . 20.0 110.231 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -64.37 -37.5 87.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.029 -0.532 . . . . 20.0 111.057 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 mmt -72.69 -34.57 67.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.539 -0.3 . . . . 20.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.74 92.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.096 0.474 . . . . 20.0 109.924 174.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 21.9 mm-40 -68.03 -30.0 69.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.597 -0.729 . . . . 20.0 110.666 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 56' ' ' MET . 9.9 tpt180 -61.17 -52.63 64.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.659 . . . . 20.0 110.266 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 82.2 t80 -70.27 -30.07 67.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.889 -177.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.81 -66.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.279 -0.419 . . . . 20.0 112.059 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 20.1 pttm -74.76 -43.78 53.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 20.0 111.514 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 66.5 mtt -83.69 12.04 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.48 -0.327 . . . . 20.0 111.332 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 25.5 ttm180 . . . . . 0 C--N 1.332 -0.169 0 CA-C-O 121.454 0.645 . . . . 20.0 109.49 172.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.859 0.362 . . . . 20.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -60.52 -34.29 73.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.903 -0.59 . . . . 20.0 111.273 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.27 -30.96 25.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.067 0.46 . . . . 20.0 110.376 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -68.49 -15.49 63.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.517 -0.765 . . . . 20.0 110.47 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -57.49 -12.0 2.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.79 -0.641 . . . . 20.0 112.109 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -64.05 -25.91 68.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.715 0.293 . . . . 20.0 110.383 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -65.2 -34.61 78.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.28 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.64 -48.2 82.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.583 -0.735 . . . . 20.0 110.515 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -77.23 -25.78 51.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.946 0.403 . . . . 20.0 110.333 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -63.48 -48.12 78.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.057 -0.519 . . . . 20.0 109.85 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.432 ' O ' HG13 ' A' ' 29' ' ' VAL . 39.6 ptt180 -72.52 -11.21 60.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.025 0.441 . . . . 20.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.31 -30.94 25.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.244 0.545 . . . . 20.0 110.14 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -90.8 -15.8 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.659 -0.7 . . . . 20.0 111.358 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 26' ' ' ARG . 5.1 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.413 0.625 . . . . 20.0 109.521 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.487 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 35.3 m170 . . . . . 0 CA--C 1.514 -0.405 0 N-CA-C 109.036 -0.727 . . . . 20.0 109.036 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.654 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 13.6 m-20 -56.82 -32.87 66.16 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.168 -0.924 . . . . 20.0 110.706 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.58 -41.68 86.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.557 . . . . 20.0 110.913 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.0 t -70.03 -39.31 77.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.475 0.655 . . . . 20.0 110.285 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 31.1 mt-10 -74.48 -18.89 60.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.135 -0.939 . . . . 20.0 111.32 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 26.8 mmm180 -54.65 -44.23 73.04 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.689 0.28 . . . . 20.0 110.872 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -68.11 -25.2 65.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.01 -0.541 . . . . 20.0 110.704 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 61.1 mtt -81.76 -43.25 18.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.361 0.601 . . . . 20.0 109.459 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.14 -25.2 66.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.251 -0.886 . . . . 20.0 111.293 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 57.2 mm-40 -56.94 -33.87 67.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.472 . . . . 20.0 111.34 177.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 4.3 mmp_? -92.03 -42.33 10.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.739 0.305 . . . . 20.0 111.679 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -88.03 -51.29 5.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.22 0.452 . . . . 20.0 112.22 -172.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.33 -14.56 58.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.568 -174.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.548 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -90.64 -16.51 28.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.842 0.353 . . . . 20.0 110.469 175.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.5 tpt -89.06 -61.59 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.38 . . . . 20.0 110.842 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 . . . . . 0 C--N 1.328 -0.368 0 C-N-CA 120.951 -0.3 . . . . 20.0 110.497 179.824 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.605 0.24 . . . . 20.0 110.834 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.2 -30.75 71.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 20.0 111.078 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -77.07 -37.09 55.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.028 0.442 . . . . 20.0 110.458 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -78.26 -30.47 48.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.099 -0.501 . . . . 20.0 110.909 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 p -72.62 -33.8 66.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 20.0 109.975 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -69.69 -37.47 76.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.997 -0.547 . . . . 20.0 109.91 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 24.8 t-20 -66.84 -37.74 85.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.334 -0.617 . . . . 20.0 109.334 175.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.52 -37.28 86.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.657 -0.701 . . . . 20.0 109.999 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -64.29 -33.48 75.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.393 -0.821 . . . . 20.0 110.09 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -36.05 52.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 20.0 109.983 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 32.3 mmt180 -60.38 -27.32 67.32 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.574 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.97 -28.21 69.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.989 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -82.69 -34.35 27.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.832 -0.622 . . . . 20.0 110.239 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.913 -0.585 . . . . 20.0 110.695 178.089 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.8 p80 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.857 0.361 . . . . 20.0 110.542 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.75 -32.96 74.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.417 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -67.48 -40.81 85.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.168 0.508 . . . . 20.0 109.925 176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.78 -50.74 57.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.709 -0.678 . . . . 20.0 110.771 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.34 -26.21 64.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.148 -0.478 . . . . 20.0 111.768 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -85.03 -65.32 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.91 0.386 . . . . 20.0 111.025 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 33.4 ttm180 -80.52 -58.58 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.948 -0.569 . . . . 20.0 111.601 -170.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 95.7 mmm -62.17 -35.43 78.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.792 -174.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.59 -43.05 89.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.75 0.309 . . . . 20.0 111.033 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.03 -22.18 62.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.016 0.436 . . . . 20.0 110.325 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 30.0 mmm180 -78.15 -39.37 41.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 20.0 109.857 176.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -64.08 -33.14 75.09 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.168 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.92 80.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.979 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.34 -5.25 48.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.942 -0.572 . . . . 20.0 111.036 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.0 mtp -90.76 -26.15 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 20.0 109.808 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.545 179.117 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 121.254 0.549 . . . . 20.0 110.683 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -64.27 -29.7 70.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.498 -0.773 . . . . 20.0 110.161 178.367 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.66 -38.73 62.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.096 -0.502 . . . . 20.0 109.91 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.45 -37.68 85.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.777 -0.647 . . . . 20.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 p -70.69 -44.84 66.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.535 -0.302 . . . . 20.0 110.97 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.669 ' HD2' ' CD1' ' A' ' 21' ' ' TYR . 13.2 m-85 -64.71 -33.3 75.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.62 0.247 . . . . 20.0 111.223 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -70.72 -36.34 73.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.883 0.373 . . . . 20.0 110.177 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -60.08 -39.72 87.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.107 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -70.8 -39.55 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 20.0 110.365 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.3 -46.02 91.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 20.0 110.656 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -60.34 -35.74 76.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.532 -0.758 . . . . 20.0 111.109 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.91 -38.19 19.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.305 -0.407 . . . . 20.0 111.53 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HD3' ' C ' ' A' ' 28' ' ' LYS . 10.2 tmtt? -70.1 -51.17 33.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.404 . . . . 20.0 110.38 -177.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.355 -178.801 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.573 0.225 . . . . 20.0 110.755 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -68.37 -34.27 75.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 20.0 110.839 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -66.82 -41.38 87.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.982 -0.553 . . . . 20.0 109.885 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.0 t -70.7 -47.35 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.745 . . . . 20.0 110.482 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.94 -41.0 77.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 20.0 111.502 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.5 ttp-105 -60.64 -37.35 81.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.486 . . . . 20.0 110.765 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -85.68 -36.1 20.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.531 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 45.5 tpp -63.22 -38.75 92.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.45 -0.795 . . . . 20.0 110.555 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.67 81.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 20.0 110.943 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.61 -45.23 87.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.532 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.21 -39.08 82.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.737 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.627 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 70.8 t80 -65.57 -33.98 77.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.636 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.82 -30.04 70.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.09 0.472 . . . . 20.0 110.626 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -80.79 -44.97 17.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.214 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.12 -36.32 79.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.674 -0.694 . . . . 20.0 110.99 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.772 -0.649 . . . . 20.0 111.354 -177.026 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 112.012 0.375 . . . . 20.0 112.012 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -90.23 -70.03 0.69 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.086 0.47 . . . . 20.0 111.978 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -90.3 -48.44 7.14 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.115 -172.151 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.86 -14.47 59.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.311 0.485 . . . . 20.0 112.311 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.2 p -73.3 -48.14 36.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.966 0.412 . . . . 20.0 110.848 176.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.67 ' HE1' ' CE2' ' A' ' 21' ' ' TYR . 61.3 m-85 -91.28 -44.6 9.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.259 -0.428 . . . . 20.0 111.339 -177.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 12.3 m120 -60.01 -43.74 95.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.407 -0.361 . . . . 20.0 111.459 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.5 -34.67 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.17 0.51 . . . . 20.0 110.605 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -72.28 -29.28 63.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.179 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.67 -49.22 12.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.805 -0.634 . . . . 20.0 110.222 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 81.2 mtp180 -61.59 -38.24 86.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 20.0 111.14 -176.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.29 -20.5 63.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.39 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -82.62 -43.71 16.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.082 -0.508 . . . . 20.0 109.852 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 82.3 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 20.0 110.28 177.037 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.5 m80 . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.543 0.211 . . . . 20.0 111.195 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.97 -33.67 76.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.083 0.468 . . . . 20.0 110.132 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.05 -38.02 64.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.575 -0.739 . . . . 20.0 109.678 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.05 -51.08 73.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.852 -0.613 . . . . 20.0 110.666 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -57.81 -29.39 64.86 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.117 0.484 . . . . 20.0 110.657 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -71.92 -60.44 2.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.772 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -65.15 -38.13 89.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.329 . . . . 20.0 111.299 -175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 52.4 tpp -64.04 -29.47 70.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.315 -0.402 . . . . 20.0 110.927 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.08 -51.0 71.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 20.0 111.134 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.06 -27.81 61.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 20.0 110.496 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -64.13 -44.43 92.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 20.0 110.57 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -65.06 -36.4 84.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.521 . . . . 20.0 110.61 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.6 -45.33 53.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 20.0 110.872 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -66.63 -23.61 66.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.673 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.1 ttm -65.93 -31.3 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.912 -0.585 . . . . 20.0 110.281 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.018 175.614 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 N--CA 1.469 0.478 0 N-CA-C 113.492 0.923 . . . . 20.0 113.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.94 -24.33 67.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.767 0.318 . . . . 20.0 111.729 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -90.59 -14.05 33.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.891 0.377 . . . . 20.0 110.489 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.36 -30.66 71.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.445 . . . . 20.0 110.919 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -67.99 -34.14 75.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.147 0.499 . . . . 20.0 110.43 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -73.79 -33.44 64.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 20.0 109.977 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 21.0 m-80 -57.52 -45.44 84.99 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.708 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -59.71 -43.06 94.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.482 -0.327 . . . . 20.0 111.324 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -62.2 -42.07 98.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 20.0 110.275 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.19 -43.39 78.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 20.0 110.131 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 98.6 mtt180 -62.95 -36.3 82.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.158 -0.473 . . . . 20.0 110.94 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.23 -24.97 65.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.152 0.501 . . . . 20.0 110.908 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -90.51 -6.23 55.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.568 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.646 -0.252 . . . . 20.0 111.596 -177.698 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.553 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 18.1 p80 . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.701 0.286 . . . . 20.0 110.845 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.31 -36.13 70.71 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.702 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.46 -43.33 88.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.784 -0.644 . . . . 20.0 109.906 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.62 -40.45 84.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.347 -0.842 . . . . 20.0 110.675 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 46.5 mm-40 -55.17 -42.5 73.26 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.848 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -69.76 -40.14 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.569 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -62.01 -39.24 91.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.443 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.2 tpp -78.65 -31.48 46.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.583 -0.735 . . . . 20.0 110.515 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.76 92.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.766 -0.652 . . . . 20.0 112.004 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.37 -23.04 67.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.885 0.374 . . . . 20.0 111.16 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -71.26 -51.93 21.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.15 -0.477 . . . . 20.0 109.721 177.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.492 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 54.7 m-85 -68.83 -27.46 65.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 20.0 111.03 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.42 82.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.731 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -74.18 -28.83 61.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.401 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.7 mtp -78.11 -7.61 57.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 20.0 110.945 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 98.5 mtt180 . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 121.022 0.439 . . . . 20.0 110.26 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 111.655 0.243 . . . . 20.0 111.655 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.96 -25.86 67.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.705 0.288 . . . . 20.0 111.497 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -80.23 -33.05 38.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.928 0.394 . . . . 20.0 110.704 -177.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -92.03 -22.29 20.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.197 0.443 . . . . 20.0 112.197 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 p -77.84 -8.88 58.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.238 0.459 . . . . 20.0 112.238 -174.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.656 ' HE1' ' CE2' ' A' ' 21' ' ' TYR . 24.4 p90 -46.97 -38.92 11.45 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.329 0.492 . . . . 20.0 112.329 -176.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -87.06 -23.91 24.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 20.0 111.108 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.05 -46.03 25.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.944 -0.571 . . . . 20.0 110.607 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -69.15 -23.27 63.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.2 0.524 . . . . 20.0 109.624 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.7 tp -65.37 -38.06 88.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.794 -0.639 . . . . 20.0 109.465 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -73.93 -32.29 63.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.115 176.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.57 84.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.348 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.4 -40.99 94.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.417 -0.81 . . . . 20.0 109.932 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.771 -0.649 . . . . 20.0 111.264 179.173 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.972 0.415 . . . . 20.0 110.494 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -57.76 -35.65 71.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.33 173.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 35.9 tt0 -65.83 -40.62 91.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.531 -0.758 . . . . 20.0 110.383 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.85 -42.83 97.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.189 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.06 -37.85 86.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.834 -0.621 . . . . 20.0 109.337 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' NH1' ' HA ' ' A' ' 47' ' ' ARG . 1.8 tpp180 -66.43 -32.18 73.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 20.0 110.897 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 30.0 mmm180 -77.94 -41.81 35.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.155 0.502 . . . . 20.0 110.025 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.7 mmt -76.06 -19.47 58.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 20.0 111.576 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.57 -38.68 72.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 20.0 111.131 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -70.41 -29.14 65.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.761 -0.654 . . . . 20.0 110.341 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -79.3 -29.62 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 20.0 110.336 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 76.9 t80 -58.02 -31.17 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.674 -0.694 . . . . 20.0 111.173 -176.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.01 86.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 20.0 110.986 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -88.82 -24.72 22.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.102 0.477 . . . . 20.0 110.394 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.429 ' HB3' ' HA ' ' A' ' 53' ' ' PHE . 53.7 tpp -67.74 -24.77 65.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.989 -0.55 . . . . 20.0 110.608 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.032 -0.531 . . . . 20.0 110.532 177.385 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 112.187 0.44 . . . . 20.0 112.187 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -67.09 -35.62 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 20.0 111.326 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -71.94 -15.48 62.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.076 0.465 . . . . 20.0 110.447 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -65.99 -15.05 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.532 176.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -87.18 -20.66 26.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.368 0.604 . . . . 20.0 109.766 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -96.27 -13.79 23.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.421 -0.809 . . . . 20.0 110.366 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -45.6 -24.1 0.31 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.846 -1.07 . . . . 20.0 113.599 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.66 -37.48 68.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 20.0 110.703 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -72.04 -37.08 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 20.0 110.365 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.34 -28.98 62.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.531 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -65.54 -31.91 73.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.18 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.8 72.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.285 0.565 . . . . 20.0 110.038 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -73.22 -27.1 61.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.402 -0.817 . . . . 20.0 110.11 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.048 175.899 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.0 t60 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.239 -0.282 . . . . 20.0 110.239 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.56 -50.51 73.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 20.0 111.146 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.66 -47.73 83.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.373 . . . . 20.0 111.179 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.67 -48.83 81.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.237 -0.438 . . . . 20.0 110.712 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.18 -45.3 85.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.12 -0.491 . . . . 20.0 111.343 -176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -64.74 -33.59 76.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.341 . . . . 20.0 110.812 -176.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -77.18 -35.84 55.54 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.11 -0.495 . . . . 20.0 110.522 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.4 mmt -76.15 -34.22 59.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.045 -0.525 . . . . 20.0 110.558 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.7 -40.44 72.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.052 -0.522 . . . . 20.0 111.26 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.54 -40.43 97.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.801 -0.636 . . . . 20.0 110.114 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -70.71 -44.42 66.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 20.0 110.518 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.589 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 23.9 m-85 -63.6 -30.31 71.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.864 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.97 -31.43 70.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.987 0.422 . . . . 20.0 111.043 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -77.87 -44.26 27.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.038 -0.528 . . . . 20.0 110.958 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 ptm -84.83 -1.67 56.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.856 0.36 . . . . 20.0 111.51 -176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.589 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 43.3 ttp180 . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.921 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.626 0.25 . . . . 20.0 110.611 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.92 -49.04 79.33 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.095 -0.502 . . . . 20.0 111.368 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.95 -31.49 72.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.413 -175.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.513 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 95.9 m-20 -90.7 -15.33 30.5 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.841 -0.344 . . . . 20.0 111.687 -178.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -51.1 -53.45 34.04 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.232 0.456 . . . . 20.0 112.232 -176.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -71.35 -25.02 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.929 0.395 . . . . 20.0 110.539 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -75.01 -42.8 56.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.09 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 19' ' ' ASN . 13.2 mm-40 -67.92 -39.46 83.54 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.63 -0.507 . . . . 20.0 109.63 178.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -63.98 -38.77 92.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 20.0 110.208 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.0 -26.03 65.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.889 -0.596 . . . . 20.0 111.045 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -90.41 -48.27 7.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.064 0.459 . . . . 20.0 110.644 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.18 -5.08 42.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.871 -0.604 . . . . 20.0 112.308 -173.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -17.16 59.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.643 0.259 . . . . 20.0 111.18 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 20.0 109.896 175.115 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 C--O 1.225 -0.213 0 CA-C-O 120.394 0.14 . . . . 20.0 111.305 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -64.83 -29.94 70.92 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.766 0.284 . . . . 20.0 111.766 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -82.44 -29.93 30.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.832 0.349 . . . . 20.0 110.998 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.48 -50.22 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.031 0.443 . . . . 20.0 110.569 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.76 -40.02 82.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.763 -0.653 . . . . 20.0 111.202 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -66.56 -30.2 70.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.394 . . . . 20.0 111.176 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -90.64 -30.0 17.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.907 0.384 . . . . 20.0 111.184 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 43.8 tpp -90.48 -47.93 7.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.067 -0.515 . . . . 20.0 112.282 -172.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.03 -63.68 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.908 0.707 . . . . 20.0 112.908 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.04 -31.73 69.11 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.812 0.339 . . . . 20.0 111.805 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -68.86 -41.32 78.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.916 0.389 . . . . 20.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -77.17 -34.23 56.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.976 0.417 . . . . 20.0 110.345 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.07 70.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.914 -0.584 . . . . 20.0 110.898 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.71 -31.66 70.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.491 . . . . 20.0 110.614 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.5 mtp -78.88 -14.94 58.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.905 -0.588 . . . . 20.0 110.51 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.535 -178.502 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.743 0.306 . . . . 20.0 111.681 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.92 -29.9 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 20.0 110.82 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -71.53 -38.05 71.09 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.386 0.612 . . . . 20.0 109.577 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.565 HD21 ' N ' ' A' ' 19' ' ' ASN . 0.8 OUTLIER -71.92 -33.46 68.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.32 -0.855 . . . . 20.0 110.605 -173.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.1 m -64.25 -33.22 75.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.919 0.39 . . . . 20.0 110.23 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -80.57 -36.02 33.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 20.0 109.98 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.547 ' C ' HD21 ' A' ' 22' ' ' ASN . 0.2 OUTLIER -58.14 -47.63 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.943 -0.571 . . . . 20.0 109.674 175.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.09 -36.99 85.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.784 -0.644 . . . . 20.0 110.479 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -72.67 -46.24 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.366 -0.379 . . . . 20.0 110.995 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.26 -45.6 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 20.0 110.899 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -67.61 -29.74 69.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 20.0 110.939 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.41 -32.33 32.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.085 0.469 . . . . 20.0 110.634 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.44 -71.06 0.33 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.742 -0.663 . . . . 20.0 109.916 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.735 -0.211 . . . . 20.0 111.34 176.653 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 121.1 0.476 . . . . 20.0 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 4.2 m-20 -63.78 -29.6 70.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.938 -0.573 . . . . 20.0 110.198 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.26 -29.52 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.423 0.63 . . . . 20.0 109.682 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.2 t -70.99 -39.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.447 -0.797 . . . . 20.0 109.767 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.99 -42.59 72.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.614 -0.721 . . . . 20.0 109.918 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 27.4 mmt180 -62.88 -40.94 99.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.619 -0.718 . . . . 20.0 110.698 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -67.23 -39.67 86.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.959 -0.564 . . . . 20.0 111.073 -177.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.2 mtm -82.92 -21.47 34.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.394 -0.366 . . . . 20.0 111.412 -176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.32 71.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 20.0 112.137 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.93 -22.82 64.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.525 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.0 mtm105 -87.54 -41.35 13.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.891 0.376 . . . . 20.0 110.205 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -67.9 -10.2 51.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 20.0 111.075 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -59.9 -26.17 65.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.981 176.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.42 -35.6 40.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.113 0.482 . . . . 20.0 110.278 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -82.94 -25.27 32.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.575 . . . . 20.0 111.306 -175.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 22.9 ptt180 . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 121.242 0.544 . . . . 20.0 110.375 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HA ' ' ND2' ' A' ' 19' ' ' ASN . 8.4 mm-40 . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.697 0.284 . . . . 20.0 110.921 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -61.9 -30.06 70.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 20.0 110.553 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -91.32 -58.54 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.2 -0.455 . . . . 20.0 111.713 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.467 ' ND2' ' HA ' ' A' ' 16' ' ' GLU . 9.6 p30 -66.71 -20.29 65.94 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.17 0.433 . . . . 20.0 112.17 -168.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.4 m -73.79 -29.71 62.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 20.0 110.461 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.655 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 23.2 m-85 -90.38 -36.74 14.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 20.0 110.178 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -66.23 -20.53 66.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.669 -0.696 . . . . 20.0 110.72 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -58.41 -57.09 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.526 -0.306 . . . . 20.0 111.306 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -73.67 -20.11 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.987 0.422 . . . . 20.0 111.01 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -75.86 -27.69 57.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.27 0.557 . . . . 20.0 109.843 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -86.09 -37.41 18.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 20.0 110.11 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.49 -1.04 25.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.571 . . . . 20.0 111.757 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -64.63 -16.56 62.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 20.0 110.815 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 20.0 110.714 178.301 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.7 p80 . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 120.713 0.292 . . . . 20.0 110.595 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -60.27 -32.16 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 20.0 110.977 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.91 -38.85 87.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.389 . . . . 20.0 110.434 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.3 t -68.75 -46.33 79.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.912 -0.585 . . . . 20.0 110.317 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.69 -33.15 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.434 -0.803 . . . . 20.0 110.394 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.625 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 74.7 ttt180 -65.74 -43.93 87.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 20.0 109.855 176.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -59.37 -35.54 74.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.521 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.1 mtt -74.35 -38.94 63.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.868 -0.606 . . . . 20.0 110.227 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.65 71.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 20.0 111.076 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.625 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 9.7 mm-40 -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.812 -0.631 . . . . 20.0 110.271 176.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -79.84 -44.87 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 20.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.639 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 63.7 m-85 -66.26 -21.85 66.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 20.0 110.749 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.49 72.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 20.0 111.186 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -69.18 -38.15 78.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.097 0.475 . . . . 20.0 110.529 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.2 mtp -80.16 -16.28 55.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.766 -0.652 . . . . 20.0 110.373 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.532 -0.758 . . . . 20.0 110.303 -178.691 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.962 0.411 . . . . 20.0 110.661 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.403 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 36.2 tt0 -67.72 -36.06 79.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.964 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.6 -40.16 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 20.0 110.367 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -70.39 -26.75 63.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 20.0 110.708 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -66.83 -35.69 80.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.388 -0.597 . . . . 20.0 109.388 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.403 ' CE2' ' HG2' ' A' ' 17' ' ' GLN . 29.5 m-85 -72.45 -36.56 68.55 Favored 'General case' 0 CA--C 1.523 -0.073 0 CA-C-N 116.364 -0.38 . . . . 20.0 110.03 174.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.506 ' HB3' ' SD ' ' A' ' 49' ' ' MET . 93.4 m-20 -58.35 -39.31 79.17 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.984 -0.553 . . . . 20.0 110.957 178.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -63.55 -35.0 79.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.946 0.403 . . . . 20.0 110.492 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -72.77 -40.16 66.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 20.0 110.453 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.2 -39.29 93.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.305 0.574 . . . . 20.0 109.809 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.512 ' O ' HG13 ' A' ' 29' ' ' VAL . 71.6 ttt180 -67.01 -32.72 74.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.301 -0.863 . . . . 20.0 110.705 178.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.11 71.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.824 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -82.27 -24.69 34.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.706 -0.679 . . . . 20.0 111.959 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 26' ' ' ARG . 8.8 p . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.26 0.553 . . . . 20.0 110.632 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 120.787 0.327 . . . . 20.0 111.479 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.98 -23.76 65.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.168 0.509 . . . . 20.0 110.336 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.16 -47.11 12.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 20.0 110.267 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.4 t -64.51 -31.23 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.246 -0.888 . . . . 20.0 110.785 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -46.67 -42.54 16.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.758 -0.655 . . . . 20.0 111.15 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.573 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 30.6 ttp180 -77.61 -49.29 14.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.688 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -61.79 -40.67 96.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.934 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.506 ' SD ' ' HB3' ' A' ' 22' ' ' ASN . 53.4 ttm -65.93 -38.72 89.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.814 0.34 . . . . 20.0 110.173 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.49 94.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 20.0 110.573 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 55.7 mt-10 -65.61 -45.12 84.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 20.0 110.373 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.522 ' O ' ' HG2' ' A' ' 56' ' ' MET . 56.4 ttp180 -65.41 -32.69 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 20.0 111.137 -178.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.661 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 89.6 t80 -57.04 -49.61 75.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.006 0.432 . . . . 20.0 110.395 177.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.89 -22.21 53.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.49 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -72.08 -23.62 61.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.189 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 92.9 mmm -75.58 -13.32 60.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 20.0 110.361 176.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 20.0 109.599 174.827 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HA ' HD22 ' A' ' 19' ' ' ASN . 48.0 mt-10 . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 120.786 0.327 . . . . 20.0 111.502 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -71.37 -12.43 61.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.904 -0.589 . . . . 20.0 110.961 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.46 -48.72 6.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.807 0.337 . . . . 20.0 110.37 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.535 ' HA ' ' HB3' ' A' ' 22' ' ' ASN . 2.8 p30 -76.01 -15.67 60.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.265 -0.425 . . . . 20.0 112.072 -176.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 p -64.87 -47.39 78.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.01 0.434 . . . . 20.0 110.276 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.667 ' HE1' ' CE2' ' A' ' 21' ' ' TYR . 98.3 m-85 -80.84 -21.97 40.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.762 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB3' ' HA ' ' A' ' 19' ' ' ASN . 27.9 t-20 -70.22 -23.06 62.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.218 176.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.94 -33.33 74.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.78 -0.645 . . . . 20.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -70.7 -36.91 73.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 20.0 109.712 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.3 -37.5 87.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.966 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -62.47 -39.23 92.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.425 -0.807 . . . . 20.0 110.417 175.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.27 -34.49 70.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 20.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.76 -46.46 82.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.752 -0.658 . . . . 20.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 121.004 0.43 . . . . 20.0 110.713 -179.604 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 CA--C 1.521 -0.159 0 N-CA-C 109.793 -0.447 . . . . 20.0 109.793 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.41 -37.23 85.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.643 -0.708 . . . . 20.0 110.498 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.79 -45.75 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.609 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.505 ' O ' ' HG2' ' A' ' 49' ' ' MET . 47.7 t -65.95 -42.87 92.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.113 -0.494 . . . . 20.0 110.098 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.43 -48.7 79.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.623 -0.717 . . . . 20.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -65.85 -36.38 83.29 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.01 -0.276 . . . . 20.0 110.6 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -62.1 -40.07 94.6 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 121.259 -0.176 . . . . 20.0 110.718 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 26.4 mmt -57.86 -36.76 72.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 20.0 110.94 178.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.19 -52.07 7.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.064 -0.517 . . . . 20.0 111.125 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.456 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 53.1 mt-10 -64.84 -33.41 75.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.246 -0.433 . . . . 20.0 111.709 -174.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -61.28 -32.54 72.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.144 0.497 . . . . 20.0 110.296 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -90.06 -41.75 11.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.808 -0.633 . . . . 20.0 110.298 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.35 77.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 20.0 111.796 -177.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 51' ' ' GLU . 5.7 mptp? -61.27 -24.9 66.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.507 -0.315 . . . . 20.0 111.089 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.7 ttp -81.01 -47.14 14.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.882 0.372 . . . . 20.0 110.518 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 20.0 110.765 -177.009 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.462 0.157 0 N-CA-C 112.827 0.677 . . . . 20.0 112.827 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.83 -57.63 9.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.585 0.231 . . . . 20.0 110.962 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -75.83 -31.51 59.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 20.0 110.979 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.426 HD21 ' N ' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -75.24 -12.22 60.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.101 -0.499 . . . . 20.0 111.792 -177.289 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.2 p -48.97 -44.34 40.81 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.72 0.295 . . . . 20.0 111.251 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -68.34 -38.88 81.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.004 0.43 . . . . 20.0 110.55 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -64.57 -31.92 73.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.782 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.39 -41.45 97.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.066 0.46 . . . . 20.0 110.051 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -66.09 -38.83 89.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.795 -0.639 . . . . 20.0 110.059 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.466 ' O ' HG21 ' A' ' 29' ' ' VAL . 98.6 mt -64.84 -41.95 95.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 20.0 109.969 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.31 -41.91 90.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.654 -0.703 . . . . 20.0 110.268 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.9 -29.32 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 20.0 111.256 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' HZ2' ' HB3' ' A' ' 28' ' ' LYS . 8.9 mtpm? -80.67 -21.18 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.178 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 25' ' ' LEU . 71.7 t . . . . . 0 C--N 1.327 -0.408 0 N-CA-C 111.982 0.364 . . . . 20.0 111.982 -175.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.1 m170 . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 111.735 0.272 . . . . 20.0 111.735 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.23 -23.29 63.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.645 0.26 . . . . 20.0 110.973 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -71.24 -27.51 63.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.474 0.654 . . . . 20.0 109.736 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 49' ' ' MET . 76.3 t -69.59 -44.48 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.477 -0.783 . . . . 20.0 109.703 176.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.05 -33.89 76.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.491 -0.777 . . . . 20.0 110.38 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -60.78 -38.36 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.596 -0.729 . . . . 20.0 110.677 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -78.03 -28.04 48.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 20.0 110.71 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.3 mmt -62.82 -24.92 68.0 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.078 -0.51 . . . . 20.0 111.589 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.79 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 20.0 111.86 -177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.05 -33.8 74.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.754 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -63.78 -44.6 92.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.287 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.635 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 48.3 m-85 -71.54 -34.29 69.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.96 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.26 94.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.913 0.387 . . . . 20.0 110.814 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.529 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -72.6 -30.1 64.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.33 -0.395 . . . . 20.0 110.814 178.125 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.7 ttm -75.03 -28.52 60.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.282 -0.417 . . . . 20.0 110.652 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.809 -0.632 . . . . 20.0 110.354 178.121 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 CA--C 1.533 0.3 0 N-CA-C 112.989 0.737 . . . . 20.0 112.989 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -61.45 -36.75 81.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.666 0.269 . . . . 20.0 111.302 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.32 -26.66 56.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.543 0.211 . . . . 20.0 111.027 -178.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -84.06 -15.23 48.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.366 0.603 . . . . 20.0 110.297 177.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.2 t -71.89 -10.55 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.389 -0.823 . . . . 20.0 111.58 -177.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -54.11 -30.24 47.95 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 111.906 0.335 . . . . 20.0 111.906 -176.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.7 -41.36 97.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 20.0 110.902 178.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -83.34 -32.36 26.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.119 0.485 . . . . 20.0 109.994 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -65.78 -35.64 81.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.319 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' HG21 ' A' ' 29' ' ' VAL . 1.3 tm? -63.18 -36.57 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.561 -0.533 . . . . 20.0 109.561 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -60.73 -37.03 80.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.242 0.544 . . . . 20.0 110.232 177.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 -28.47 65.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.698 -0.683 . . . . 20.0 110.879 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 1.9 tpmt? -82.78 -27.48 30.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.771 -0.649 . . . . 20.0 110.633 -178.255 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 25' ' ' LEU . 92.8 t . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 110.217 -0.29 . . . . 20.0 110.217 176.334 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.479 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 62.1 t60 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.44 0.162 . . . . 20.0 111.116 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.56 -28.9 64.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.083 0.468 . . . . 20.0 109.978 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 28.5 tt0 -77.93 -32.41 51.59 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.853 -0.612 . . . . 20.0 110.129 179.189 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.493 ' O ' ' HG2' ' A' ' 49' ' ' MET . 98.1 t -56.88 -49.59 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.819 -0.438 . . . . 20.0 109.819 174.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 5.7 mm-40 -57.29 -39.36 75.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.536 -0.757 . . . . 20.0 110.343 177.581 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -67.89 -44.87 76.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.822 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 90.8 mtt180 -60.76 -35.33 76.13 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.106 -179.274 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.9 mmt -57.25 -32.13 66.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 20.0 111.831 -176.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.21 91.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.919 0.39 . . . . 20.0 110.83 177.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.92 -21.8 40.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.365 0.602 . . . . 20.0 110.127 179.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 56' ' ' MET . 57.9 ttt180 -66.12 -22.78 66.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.349 -0.841 . . . . 20.0 111.058 -175.191 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.623 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 59.7 m-85 -60.25 -36.2 77.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.023 0.439 . . . . 20.0 110.282 174.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.77 -32.56 23.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.048 -0.524 . . . . 20.0 110.01 175.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 52' ' ' ARG . 14.7 tppt? -57.34 -37.7 72.97 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.599 -0.728 . . . . 20.0 110.657 178.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 24.6 mmt -57.82 -29.21 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 20.0 111.414 -179.528 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.331 -0.395 . . . . 20.0 111.65 -174.184 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 112.244 0.461 . . . . 20.0 112.244 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -73.1 -15.84 61.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.753 0.311 . . . . 20.0 110.826 -177.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -80.46 -39.97 27.11 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.815 -0.809 . . . . 20.0 108.815 174.222 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -64.17 -45.4 88.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.418 -0.81 . . . . 20.0 110.667 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 p -67.73 -40.56 84.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.376 -0.375 . . . . 20.0 111.143 -178.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.66 ' HE1' ' CE2' ' A' ' 21' ' ' TYR . 60.1 t80 -68.03 -35.95 79.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.993 -0.373 . . . . 20.0 109.993 178.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -69.81 -32.79 71.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.021 0.438 . . . . 20.0 110.151 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -64.92 -41.15 95.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 20.0 109.72 173.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -64.16 -41.87 96.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.617 -0.72 . . . . 20.0 110.08 175.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.04 -36.68 80.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.747 -0.66 . . . . 20.0 110.396 178.193 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -60.31 -38.93 85.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.587 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.48 67.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.205 0.526 . . . . 20.0 110.707 178.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -72.98 -43.76 61.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.61 -0.723 . . . . 20.0 110.172 177.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.74 178.142 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.8 p80 . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 111.802 0.297 . . . . 20.0 111.802 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.2 -54.57 45.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.981 0.419 . . . . 20.0 111.394 -176.245 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -68.79 -33.82 74.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.963 -0.562 . . . . 20.0 111.003 -178.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.24 -50.3 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.736 -0.468 . . . . 20.0 109.736 176.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.29 -41.59 89.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.313 -0.858 . . . . 20.0 110.827 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.58 -55.06 39.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.942 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -67.47 -31.89 72.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.49 -0.323 . . . . 20.0 110.855 -178.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 54.2 tpp -67.98 -43.75 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.395 -0.366 . . . . 20.0 110.523 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.23 74.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 20.0 110.668 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.31 -26.42 68.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.969 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -65.12 -32.49 74.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.21 0.529 . . . . 20.0 110.391 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.451 ' O ' ' HG3' ' A' ' 56' ' ' MET . 73.8 t80 -90.52 -27.62 19.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.769 177.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.36 -48.74 11.55 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.295 -0.412 . . . . 20.0 111.786 -177.759 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -80.31 0.1 34.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.256 -0.429 . . . . 20.0 111.946 -172.225 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.451 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 4.6 ppp? -80.11 -20.99 43.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.333 -0.617 . . . . 20.0 109.333 173.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' HA ' ' NE ' ' A' ' 57' ' ' ARG . 5.9 tpm_? . . . . . 0 N--CA 1.452 -0.356 0 CA-C-N 115.611 -0.722 . . . . 20.0 110.006 176.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 111.756 0.28 . . . . 20.0 111.756 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -70.8 -27.8 64.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.964 0.411 . . . . 20.0 110.251 176.391 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 21' ' ' TYR . 43.1 mt-10 -86.35 -35.08 20.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.049 -0.523 . . . . 20.0 111.494 -172.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -78.96 -33.72 44.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.5 -0.48 . . . . 20.0 111.005 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -76.48 -14.06 60.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.149 0.499 . . . . 20.0 110.073 176.313 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.651 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 82.4 t80 -60.51 -29.56 69.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.463 -0.79 . . . . 20.0 110.433 177.601 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -66.33 -36.04 81.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.036 0.446 . . . . 20.0 110.181 176.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.91 -32.77 57.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 20.0 109.977 178.16 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 68.5 t-105 -62.34 -39.06 91.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 20.0 110.342 174.364 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.8 -46.04 89.84 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.131 -0.692 . . . . 20.0 109.131 175.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -58.92 -36.48 74.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.86 -0.609 . . . . 20.0 110.59 177.313 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.3 -44.79 90.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 20.0 111.13 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.79 -32.98 71.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.034 -0.53 . . . . 20.0 111.106 -177.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 20.0 112.031 -177.133 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.4 m80 . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 111.861 0.319 . . . . 20.0 111.861 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.25 -25.8 66.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 20.0 110.708 -179.661 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -81.87 -45.68 15.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 20.0 110.151 178.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -61.42 -53.11 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 20.0 111.379 -176.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.07 -27.06 68.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.897 -0.592 . . . . 20.0 111.598 -176.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.3 ttp-105 -76.84 -29.11 55.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.086 0.47 . . . . 20.0 110.87 -177.217 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.67 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 2.4 mmp_? -90.62 -29.82 17.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 20.0 111.586 -179.32 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.4 mtt -82.31 -19.2 39.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.569 -0.287 . . . . 20.0 111.662 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.72 -58.72 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.353 0.408 . . . . 20.0 112.004 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.52 -29.27 64.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.219 -0.446 . . . . 20.0 111.518 -177.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -69.39 -32.77 72.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.932 0.396 . . . . 20.0 110.377 -179.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.5 -30.67 71.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.336 178.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.14 -40.25 82.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.902 -0.59 . . . . 20.0 110.513 177.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -71.49 -32.24 68.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.289 177.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.1 ttm -62.06 -26.47 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.699 -0.682 . . . . 20.0 110.658 178.436 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.563 177.119 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.612 0.244 . . . . 20.0 110.918 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -58.64 -36.01 73.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.272 -0.422 . . . . 20.0 111.609 -173.072 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -71.94 -45.77 59.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.999 0.428 . . . . 20.0 110.542 -178.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -72.09 -30.66 65.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.694 -178.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.441 ' HA ' ' HB3' ' A' ' 24' ' ' TRP . 34.6 t -70.54 -20.59 62.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.699 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.59 ' HD2' ' CD1' ' A' ' 21' ' ' TYR . 61.2 t80 -81.26 -32.8 33.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.52 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -90.83 -56.32 3.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.306 -0.406 . . . . 20.0 111.612 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -89.99 -56.44 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.527 -170.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.441 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 70.1 t-105 -65.43 -19.25 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.331 . . . . 20.0 111.045 -174.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.9 -35.7 61.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.051 0.453 . . . . 20.0 110.309 176.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -75.19 -27.46 59.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.56 -0.745 . . . . 20.0 110.881 -178.014 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.15 -24.0 23.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.248 0.546 . . . . 20.0 110.735 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -72.24 -17.95 61.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.546 -178.407 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.466 0.65 . . . . 20.0 110.132 176.982 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.505 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 55.0 t-80 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.428 0.156 . . . . 20.0 110.661 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.56 -36.57 78.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.848 177.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.92 -28.75 63.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.268 0.556 . . . . 20.0 110.119 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -76.76 -51.46 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.428 -0.806 . . . . 20.0 110.421 179.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 12.0 pt-20 -70.33 -19.06 63.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 20.0 111.448 -177.041 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.427 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 4.1 tmt_? -57.19 -33.23 67.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.493 -0.558 . . . . 20.0 109.493 174.306 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -62.54 -44.94 95.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.231 177.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.457 ' SD ' ' HA ' ' A' ' 46' ' ' GLU . 1.8 mpt? -66.07 -31.98 73.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 20.0 110.723 -178.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.36 75.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.731 176.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.07 -20.27 59.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.085 -0.507 . . . . 20.0 110.559 179.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -67.97 -39.61 83.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.409 -0.814 . . . . 20.0 110.043 175.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.655 ' HE1' ' CE2' ' A' ' 53' ' ' PHE . 70.4 t80 -72.76 -26.44 61.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.405 0.622 . . . . 20.0 109.929 177.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.6 -1.53 31.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.447 -0.797 . . . . 20.0 110.892 178.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB3' ' HZ1' ' A' ' 55' ' ' LYS . 8.0 ttpm? -61.69 -25.7 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.636 177.273 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.433 ' HE3' ' HA ' ' A' ' 56' ' ' MET . 33.4 mmt -69.23 -15.57 63.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.022 -0.535 . . . . 20.0 111.524 -178.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 121.083 0.468 . . . . 20.0 110.234 177.596 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 111.366 0.136 . . . . 20.0 111.366 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -57.68 -43.79 85.34 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.68 0.276 . . . . 20.0 111.362 -177.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.47 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 31.3 tt0 -66.59 -42.43 86.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.332 0.587 . . . . 20.0 110.315 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -67.22 -26.06 66.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.951 -179.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.9 m -61.49 -29.81 70.21 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.015 -0.539 . . . . 20.0 111.881 -175.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.667 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 52.2 p90 -104.93 -33.5 8.34 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.164 -0.614 . . . . 20.0 111.25 177.498 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -66.53 -61.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.982 -0.287 . . . . 20.0 111.703 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.27 -34.35 76.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.232 . . . . 20.0 111.171 -176.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.86 -56.88 15.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 20.0 110.117 179.007 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.03 -42.8 96.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.349 -179.003 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -60.77 -33.69 73.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 20.0 111.04 -178.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.84 97.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.807 0.337 . . . . 20.0 111.338 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -78.2 -33.22 50.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.737 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.411 -0.359 . . . . 20.0 111.114 178.462 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 . . . . . 0 N--CA 1.464 0.255 0 N-CA-C 112.05 0.389 . . . . 20.0 112.05 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.13 -41.59 70.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.63 0.253 . . . . 20.0 110.659 177.424 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.4 -29.34 63.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.067 0.461 . . . . 20.0 110.088 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 49' ' ' MET . 90.4 t -62.97 -47.67 91.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.557 . . . . 20.0 110.367 176.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.507 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 40.7 mt-10 -76.44 -19.65 57.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.368 -0.378 . . . . 20.0 111.581 -179.461 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -85.19 -67.92 0.76 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.973 0.416 . . . . 20.0 111.197 176.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -83.5 -47.97 10.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 20.0 111.44 -172.832 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 95.4 mmm -72.92 -17.56 61.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.35 -0.386 . . . . 20.0 111.74 -174.26 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.507 ' HB1' ' O ' ' A' ' 46' ' ' GLU . . . -47.32 -40.89 18.15 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.675 0.62 . . . . 20.0 112.675 -178.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.84 -29.9 69.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.122 0.487 . . . . 20.0 110.933 -177.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -91.12 -26.95 18.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.923 -0.58 . . . . 20.0 110.383 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.02 -27.52 69.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.711 . . . . 20.0 110.237 178.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 -21.47 65.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.8 176.257 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -87.8 -36.17 17.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.302 177.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 48.6 tpp -78.43 -36.78 45.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.025 -0.534 . . . . 20.0 111.229 -177.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 57' ' ' ARG . 6.2 tpm_? . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.26 0.552 . . . . 20.0 110.314 -179.401 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 CA--C 1.536 0.425 0 CA-C-O 121.006 0.432 . . . . 20.0 110.701 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -37.32 81.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.471 0.653 . . . . 20.0 109.445 175.77 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 35.8 mt-10 -73.98 -16.1 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.39 0.614 . . . . 20.0 110.283 -178.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -85.83 -17.03 36.82 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.491 -0.777 . . . . 20.0 109.456 176.577 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -65.92 -19.57 65.92 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.862 -0.608 . . . . 20.0 111.16 -179.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.625 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 97.5 m-85 -64.16 -27.95 69.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.155 0.502 . . . . 20.0 109.904 175.779 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -73.47 -34.03 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 20.0 109.884 175.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -71.13 -44.45 65.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.558 -0.746 . . . . 20.0 109.696 179.68 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -67.25 -17.69 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.652 -0.703 . . . . 20.0 111.148 178.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 tt -57.64 -41.92 82.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.301 178.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -68.9 -28.84 67.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.318 0.58 . . . . 20.0 109.724 179.314 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.93 -0.07 26.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.469 -0.787 . . . . 20.0 111.347 -178.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HZ2' ' HB3' ' A' ' 28' ' ' LYS . 5.9 ttpm? -87.04 -25.08 24.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.062 0.458 . . . . 20.0 109.941 175.84 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 121.249 0.547 . . . . 20.0 110.147 177.395 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 CA--C 1.522 -0.116 0 N-CA-C 111.92 0.341 . . . . 20.0 111.92 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.667 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 28.5 t70 -63.87 -42.34 97.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 20.0 110.221 -178.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -56.16 -43.45 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.8 -0.637 . . . . 20.0 111.229 178.182 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.87 -42.15 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.46 -178.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.72 -35.43 76.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 20.0 110.447 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 25.6 mmt180 -58.84 -45.35 90.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 20.0 110.922 179.361 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.4 -38.04 89.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.974 0.416 . . . . 20.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.7 mtt -69.84 -41.47 74.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.237 179.045 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.41 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.609 -0.723 . . . . 20.0 111.251 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 43.1 mt-10 -63.24 -26.38 68.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.048 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -78.35 -47.18 18.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.218 -0.446 . . . . 20.0 109.942 176.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.655 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 36.5 m-85 -67.05 -34.45 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 20.0 111.029 -179.05 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.67 92.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.369 -0.378 . . . . 20.0 111.173 179.49 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -68.12 -26.04 65.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.216 0.531 . . . . 20.0 110.307 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.8 ttp -70.3 -17.49 63.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.64 -0.709 . . . . 20.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 53' ' ' PHE . 2.8 mpt_? . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.334 176.108 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.129 0.49 . . . . 20.0 110.147 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.28 -37.11 81.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.488 -0.778 . . . . 20.0 110.903 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.87 -38.39 88.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 20.0 110.292 -178.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -68.01 -31.36 70.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.756 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -71.52 -37.8 71.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.158 0.504 . . . . 20.0 109.807 175.289 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.653 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 83.6 t80 -67.34 -36.1 80.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.027 178.355 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.81 -33.68 70.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.451 -0.795 . . . . 20.0 111.192 178.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.77 -34.46 78.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.307 -0.406 . . . . 20.0 110.751 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.5 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 16.7 m0 -76.66 -22.55 53.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.141 -0.482 . . . . 20.0 110.796 -179.708 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.37 -22.04 66.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 20.0 110.956 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -65.3 -19.85 66.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 20.0 110.739 178.289 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.99 -15.37 32.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 20.0 111.196 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -74.43 -34.76 63.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.708 -176.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.352 0.596 . . . . 20.0 110.516 178.992 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 11.3 p-80 . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 120.622 0.249 . . . . 20.0 110.697 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -68.24 -22.2 64.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.381 -0.372 . . . . 20.0 110.906 177.194 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 10.4 mm-40 -70.96 -40.54 71.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.36 -0.607 . . . . 20.0 109.36 174.859 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.53 -35.09 71.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.424 -0.807 . . . . 20.0 110.212 177.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 14.7 mm-40 -57.79 -44.38 86.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 20.0 110.959 178.105 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' A' ' 51' ' ' GLU . 18.2 ptt180 -80.77 -19.18 45.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.346 -0.541 . . . . 20.0 111.442 -177.664 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 2.7 mmp_? -60.2 -53.36 58.63 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.72 -0.474 . . . . 20.0 109.72 173.1 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.6 ptp -92.13 -53.73 4.13 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.052 0.76 . . . . 20.0 113.052 -177.449 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.87 -65.18 1.03 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.297 0.851 . . . . 20.0 113.297 -169.649 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . 28.9 mt-10 -62.45 -17.01 58.44 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.104 0.409 . . . . 20.0 112.104 -169.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 48' ' ' ARG . 34.4 ptt180 -54.22 -27.91 37.67 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.697 0.284 . . . . 20.0 110.713 175.084 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.641 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 33.0 t80 -63.39 -44.02 95.92 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.983 -0.377 . . . . 20.0 109.983 176.843 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.14 -37.26 83.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.283 0.564 . . . . 20.0 109.98 175.653 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.23 -39.73 87.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.223 -0.898 . . . . 20.0 111.299 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 5.5 ppp? -78.28 -21.1 50.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.739 0.304 . . . . 20.0 110.943 -179.675 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 84.6 mtp180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 20.0 110.69 178.621 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 111.792 0.293 . . . . 20.0 111.792 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -67.33 -15.51 63.73 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.044 0.387 . . . . 20.0 112.044 -175.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -67.55 -47.66 69.2 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.763 -0.458 . . . . 20.0 109.763 177.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -86.49 -29.14 22.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.998 -0.547 . . . . 20.0 110.89 179.139 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -70.8 -17.06 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.707 -0.224 . . . . 20.0 110.992 179.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -66.24 -37.44 85.53 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.541 -0.54 . . . . 20.0 109.541 174.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.6 t-20 -61.25 -43.78 98.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.783 -0.644 . . . . 20.0 109.602 175.784 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -64.38 -53.97 40.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.807 -0.633 . . . . 20.0 110.822 177.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.453 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 54.5 t90 -61.67 -38.12 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 20.0 111.635 -175.764 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.97 -44.55 97.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 20.0 110.998 -177.062 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 18.3 ptt180 -85.88 -9.85 56.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.004 0.43 . . . . 20.0 111.057 179.377 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.92 -6.29 58.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.825 176.233 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 29.3 mtpp -65.43 -17.85 64.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 20.0 111.092 178.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.305 0.574 . . . . 20.0 110.354 177.912 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 121.205 0.526 . . . . 20.0 110.114 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.554 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 15.9 m-20 -67.16 -23.08 65.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.421 -0.809 . . . . 20.0 110.166 175.134 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.42 -37.72 84.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.683 -0.69 . . . . 20.0 110.4 -179.643 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.71 -42.78 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.705 -0.68 . . . . 20.0 110.193 177.767 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -63.45 -37.61 87.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 20.0 110.622 179.136 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 42.1 mtp-105 -62.2 -47.82 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.952 0.406 . . . . 20.0 110.397 178.623 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -71.5 -33.19 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 20.0 110.917 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 46.4 tpp -68.22 -34.52 76.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.182 0.515 . . . . 20.0 109.706 177.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.53 96.01 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.826 -0.624 . . . . 20.0 110.218 174.378 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.21 -46.8 88.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.633 . . . . 20.0 110.073 175.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.58 -49.81 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.317 -0.856 . . . . 20.0 110.471 -177.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.664 ' HE1' ' CE2' ' A' ' 53' ' ' PHE . 71.8 t80 -60.33 -40.6 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 20.0 111.143 -178.662 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.76 -53.15 36.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.986 -0.552 . . . . 20.0 111.742 -176.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -80.69 -12.13 59.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.518 -0.31 . . . . 20.0 111.706 -174.583 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.4 ttp -62.7 -43.84 97.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.013 0.435 . . . . 20.0 110.388 177.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.772 -0.649 . . . . 20.0 109.937 176.703 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.784 0.326 . . . . 20.0 111.08 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.64 -39.03 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 20.0 111.142 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -78.13 -29.08 48.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.264 0.554 . . . . 20.0 109.932 -179.27 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -25.21 67.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.64 -0.709 . . . . 20.0 111.337 -179.144 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.0 p -61.2 -48.16 82.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.859 0.362 . . . . 20.0 110.026 -179.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.658 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 85.1 m-85 -59.28 -37.83 78.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.221 178.316 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -67.11 -43.94 81.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.453 -0.794 . . . . 20.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -68.1 -42.85 79.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.106 -177.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -67.11 -28.05 67.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 20.0 110.855 177.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 58.7 tp -74.13 -36.06 64.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.195 0.521 . . . . 20.0 109.79 176.68 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 3.1 tmt_? -74.44 -31.99 62.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.779 -0.646 . . . . 20.0 109.798 178.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.87 92.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.918 -0.583 . . . . 20.0 112.073 -178.188 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -72.72 -20.57 61.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 20.0 110.556 -178.832 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.024 176.654 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.45 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 13.9 p-80 . . . . . 0 C--O 1.227 -0.086 0 CA-C-O 120.624 0.249 . . . . 20.0 110.692 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -62.35 -39.72 94.04 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.09 0.471 . . . . 20.0 110.12 175.275 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -73.69 -37.98 65.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.476 -0.784 . . . . 20.0 110.234 -178.648 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.28 -42.1 86.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.245 179.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 48.8 mt-10 -58.11 -44.5 87.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.206 0.527 . . . . 20.0 110.963 176.818 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -74.32 -31.37 62.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.548 -177.003 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -74.43 -43.05 57.99 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.747 -0.66 . . . . 20.0 109.973 178.626 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.8 tpp -68.68 -24.12 64.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.707 -178.147 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.463 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -57.57 -32.81 67.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 20.0 110.958 176.809 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.56 -23.34 53.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.039 178.493 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -81.4 -19.04 43.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.133 0.492 . . . . 20.0 109.896 179.322 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' O ' ' HG2' ' A' ' 56' ' ' MET . 20.9 m-85 -73.6 -9.32 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.83 -0.623 . . . . 20.0 111.055 177.614 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.43 -15.26 10.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 20.0 112.065 -178.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.509 ' HB3' ' HZ2' ' A' ' 55' ' ' LYS . 7.1 mtpm? -63.89 -17.34 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 20.0 111.261 178.381 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.501 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 25.2 ptt? -71.31 7.05 1.44 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.156 0.503 . . . . 20.0 111.257 178.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 109.137 -0.69 . . . . 20.0 109.137 171.856 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.762 0.315 . . . . 20.0 111.715 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.98 -24.59 66.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.469 -0.332 . . . . 20.0 110.627 178.441 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -70.68 -7.09 42.0 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.358 0.599 . . . . 20.0 110.142 -178.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.62 -22.59 65.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.93 -0.396 . . . . 20.0 109.93 174.013 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' ' HD1' ' A' ' 24' ' ' TRP . 14.3 t -70.45 -20.79 62.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 20.0 109.926 178.757 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.645 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 92.4 t80 -59.96 -32.2 70.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.267 176.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.02 -30.87 71.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.791 -0.64 . . . . 20.0 110.555 178.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.07 -42.13 89.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 20.0 110.045 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.438 ' HD1' ' O ' ' A' ' 20' ' ' SER . 58.0 m95 -66.82 -25.14 66.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.817 -0.629 . . . . 20.0 110.532 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 21' ' ' TYR . 84.4 mt -75.81 -47.69 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.979 -0.555 . . . . 20.0 110.038 176.427 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -65.91 -29.58 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 20.0 111.083 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.98 96.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.131 0.491 . . . . 20.0 110.398 175.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -71.68 -39.05 70.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.615 -0.72 . . . . 20.0 110.83 178.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 25' ' ' LEU . 84.4 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.011 0.434 . . . . 20.0 111.03 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.6 m170 . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 120.525 0.202 . . . . 20.0 110.98 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.05 -26.97 64.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.855 0.359 . . . . 20.0 110.138 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -75.22 -33.85 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.241 0.544 . . . . 20.0 110.683 176.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 49' ' ' MET . 60.4 t -74.15 -44.59 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.8 -0.636 . . . . 20.0 110.295 179.128 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.47 -42.89 99.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.497 -0.774 . . . . 20.0 111.424 -178.61 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -69.07 -22.42 64.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 20.0 110.837 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -81.15 -29.64 34.66 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.499 -0.556 . . . . 20.0 109.499 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.3 mmt -66.13 -28.46 68.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.657 -0.701 . . . . 20.0 110.266 175.595 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.37 90.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.767 177.38 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -67.08 -34.13 77.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 20.0 110.467 177.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.43 -33.19 73.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.993 -0.548 . . . . 20.0 110.781 178.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.61 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 87.3 t80 -62.08 -32.9 73.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.148 0.499 . . . . 20.0 110.497 177.694 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.9 -33.38 75.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.939 -0.573 . . . . 20.0 110.374 177.351 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -83.67 -22.31 32.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.309 177.083 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -65.07 -46.81 79.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 20.0 109.547 174.439 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 . . . . . 0 C--N 1.33 -0.248 0 N-CA-C 109.518 -0.549 . . . . 20.0 109.518 176.787 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.77 0.319 . . . . 20.0 110.604 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -70.28 -45.03 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 20.0 110.239 -179.089 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.48 -36.26 83.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.511 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -68.07 -37.03 80.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.47 176.015 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -67.96 -21.94 65.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.146 0.498 . . . . 20.0 110.549 178.158 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.632 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 46.8 t80 -85.65 -41.91 14.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.93 -0.577 . . . . 20.0 109.872 177.762 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.71 -37.39 84.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 20.0 111.195 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.79 -34.46 77.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.903 0.382 . . . . 20.0 110.274 179.08 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -67.75 -40.48 84.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.989 -0.551 . . . . 20.0 109.993 176.466 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.57 -31.37 72.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.26 0.552 . . . . 20.0 110.425 177.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -76.58 -29.55 56.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.69 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.62 -31.69 20.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.569 -177.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -69.73 -69.56 0.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.423 -0.353 . . . . 20.0 110.654 -178.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 C--N 1.326 -0.419 0 C-N-CA 120.857 -0.337 . . . . 20.0 110.695 177.365 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.857 0.36 . . . . 20.0 110.475 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.45 -35.1 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.398 178.862 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -66.74 -46.67 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.638 -0.71 . . . . 20.0 109.895 178.587 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.16 -49.05 84.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.48 -0.782 . . . . 20.0 110.706 -179.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.41 -35.85 80.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.887 -176.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 47' ' ' ARG . 1.3 tpm_? -62.6 -48.97 77.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.959 -0.564 . . . . 20.0 110.153 178.693 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -73.58 -26.56 60.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 20.0 110.638 -179.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 49.4 tpp -64.57 -35.73 81.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.578 . . . . 20.0 111.021 -179.449 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.07 84.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.068 0.461 . . . . 20.0 110.663 178.625 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.49 -22.13 28.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 20.0 110.29 178.092 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -64.43 -33.79 76.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 20.0 110.056 177.361 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.661 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 88.4 t80 -56.4 -39.71 73.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.362 177.462 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.24 -30.64 54.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.013 -0.54 . . . . 20.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -78.28 -28.18 47.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.167 0.508 . . . . 20.0 110.724 -178.492 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.5 tpt -89.94 10.0 25.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.322 0.582 . . . . 20.0 110.39 -179.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.295 179.195 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.98 0.419 . . . . 20.0 110.444 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.25 -43.18 98.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.309 179.68 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.92 -41.48 97.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.945 -0.571 . . . . 20.0 110.468 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -30.09 70.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 20.0 110.554 177.259 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 m -69.34 -41.25 76.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.099 -0.501 . . . . 20.0 109.936 176.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.64 ' HD2' ' CD1' ' A' ' 21' ' ' TYR . 16.1 m-85 -61.82 -43.27 99.18 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.514 -0.312 . . . . 20.0 110.369 176.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.1 -35.58 77.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 20.0 110.421 177.127 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -68.11 -37.72 81.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.294 -179.064 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -71.4 -33.53 69.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 20.0 110.588 177.008 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.54 -41.12 96.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.339 0.59 . . . . 20.0 109.462 174.773 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -61.36 -41.38 96.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.167 -0.924 . . . . 20.0 110.427 176.083 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.08 79.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -69.0 -52.09 32.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.803 179.137 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 20.0 111.476 -175.734 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.522 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 14.5 t-80 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.387 0.137 . . . . 20.0 110.975 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -62.31 -40.57 96.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.471 -0.332 . . . . 20.0 110.935 -179.205 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 59.2 mm-40 -62.9 -44.21 96.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.016 176.824 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.9 t -57.08 -50.9 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.81 179.541 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 35.0 mt-10 -60.36 -46.37 90.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.334 -0.393 . . . . 20.0 111.469 -177.335 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -69.38 -44.68 71.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.228 -0.442 . . . . 20.0 111.24 -177.771 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 44' ' ' GLU . 2.7 mpt_? -74.64 -28.26 60.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.331 -0.395 . . . . 20.0 111.307 -176.492 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.427 ' HA ' ' HB2' ' A' ' 53' ' ' PHE . 45.3 ttm -65.44 -38.04 88.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.257 0.551 . . . . 20.0 110.213 177.355 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.73 -51.97 14.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.405 -0.816 . . . . 20.0 111.275 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.93 -66.08 0.96 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.044 0.387 . . . . 20.0 112.044 -174.178 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -64.6 -61.84 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.566 0.58 . . . . 20.0 112.566 -172.088 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.646 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 46.7 m-85 -60.27 -35.29 75.19 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.221 0.452 . . . . 20.0 112.221 -172.248 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.61 80.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.848 0.356 . . . . 20.0 111.001 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -76.74 -31.14 56.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.9 0.381 . . . . 20.0 110.351 179.574 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.426 ' HB3' ' HA ' ' A' ' 53' ' ' PHE . 21.8 ttt -60.88 -39.19 88.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 20.0 110.964 177.837 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.396 . . . . 20.0 110.372 177.252 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 112.126 0.417 . . . . 20.0 112.126 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.32 -27.49 68.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.937 0.347 . . . . 20.0 111.937 -174.005 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -74.11 -46.66 41.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.006 0.432 . . . . 20.0 109.849 178.499 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -68.14 -35.57 78.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.565 179.558 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.1 m -63.98 -34.51 78.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.673 178.55 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.666 ' HE1' ' CE2' ' A' ' 21' ' ' TYR . 36.5 t80 -70.07 -32.67 70.86 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.758 -0.46 . . . . 20.0 109.758 179.246 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -69.83 -32.45 70.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 20.0 109.924 177.464 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.51 -35.68 78.39 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.209 -0.451 . . . . 20.0 110.441 175.127 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.489 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 11.8 m95 -71.02 -35.4 72.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.072 -0.513 . . . . 20.0 110.334 176.466 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -40.35 85.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.342 0.591 . . . . 20.0 109.564 178.239 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -66.71 -27.47 67.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.688 177.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.5 0.05 44.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 20.0 111.388 -178.621 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 68.1 mttm -86.93 -11.95 49.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 20.0 110.957 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.037 -0.529 . . . . 20.0 109.758 176.428 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 . . . . . 0 CA--C 1.522 -0.126 0 N-CA-C 111.644 0.239 . . . . 20.0 111.644 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.47 -35.24 77.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.982 0.42 . . . . 20.0 110.738 -178.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -79.21 -39.07 34.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.023 -0.535 . . . . 20.0 110.434 178.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.12 -51.61 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 20.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -60.42 -26.24 66.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.47 . . . . 20.0 111.235 179.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -80.57 -50.08 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.163 -0.471 . . . . 20.0 110.801 -179.122 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 75.9 ttt180 -75.11 -40.42 59.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 20.0 111.046 -176.162 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.5 ttm -62.91 -26.64 68.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 20.0 110.441 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.15 78.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.619 176.004 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -84.3 -27.08 28.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.741 -0.663 . . . . 20.0 109.567 179.519 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 31.1 mmm180 -76.43 -19.13 58.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.274 -0.875 . . . . 20.0 110.58 179.378 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -46.86 -46.53 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.445 0.698 . . . . 20.0 112.313 -174.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.71 -48.2 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.761 0.315 . . . . 20.0 111.377 -178.463 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -71.29 -26.13 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.302 0.573 . . . . 20.0 110.847 -177.738 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.3 ttt -68.25 -43.04 78.74 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.294 -0.866 . . . . 20.0 110.843 178.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.989 -0.55 . . . . 20.0 111.043 -174.838 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.828 0.347 . . . . 20.0 111.486 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -68.94 -39.08 79.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.296 -0.411 . . . . 20.0 110.884 -176.542 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.52 -40.36 73.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.545 -0.298 . . . . 20.0 111.124 -175.799 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -70.61 -27.98 64.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.329 -0.248 . . . . 20.0 110.329 179.738 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.7 m -64.85 -39.48 93.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.977 0.417 . . . . 20.0 110.603 178.075 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.479 ' HD1' ' O ' ' A' ' 17' ' ' GLN . 62.0 m-85 -78.65 -24.4 45.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.464 176.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.77 -48.07 41.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.094 -0.503 . . . . 20.0 110.425 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 24' ' ' TRP . 9.3 pt-20 -61.62 -41.12 97.03 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.076 0.465 . . . . 20.0 110.339 177.434 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.422 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 67.9 t-105 -65.33 -37.58 87.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.692 -0.685 . . . . 20.0 110.665 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 29' ' ' VAL . 34.0 tp -66.52 -40.7 89.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.365 -0.379 . . . . 20.0 110.168 179.13 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -59.52 -42.75 92.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.599 177.244 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.59 77.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.929 179.268 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -78.03 -51.63 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 20.0 111.344 -178.867 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 25' ' ' LEU . 9.2 p . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 112.06 0.393 . . . . 20.0 112.06 -171.884 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.85 0.357 . . . . 20.0 110.752 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.05 -28.21 62.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.402 -179.72 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 34.3 tt0 -77.99 -36.71 48.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.005 -0.543 . . . . 20.0 110.364 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.7 t -75.43 -48.22 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 20.0 110.717 179.255 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -59.72 -34.92 73.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 20.0 111.762 -174.809 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 19.7 ptp180 -66.45 -33.96 76.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.794 0.33 . . . . 20.0 110.613 -179.077 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -85.95 -32.52 21.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.241 0.543 . . . . 20.0 110.09 178.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.7 tpp -66.58 -30.45 70.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.378 -0.828 . . . . 20.0 110.513 -179.272 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.25 78.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.778 -0.646 . . . . 20.0 111.323 177.794 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.41 -35.24 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.371 179.698 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -60.09 -45.66 92.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.852 -0.613 . . . . 20.0 110.406 178.317 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.27 -40.57 96.68 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.854 -0.612 . . . . 20.0 110.43 178.574 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.69 90.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.096 -0.502 . . . . 20.0 111.263 -178.729 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 10.9 mmpt? -71.14 -33.75 70.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.59 -178.053 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 ptm -84.74 -15.53 44.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.04 0.448 . . . . 20.0 110.579 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.554 . . . . 20.0 110.624 179.841 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 N--CA 1.463 0.213 0 N-CA-C 112.324 0.491 . . . . 20.0 112.324 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -77.34 -15.88 59.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.463 0.542 . . . . 20.0 112.463 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.81 0.62 50.17 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.744 -0.383 . . . . 20.0 110.59 -178.335 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 5.5 p30 -61.21 -32.27 72.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 20.0 110.224 -178.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 p -72.82 -27.38 61.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.876 -0.602 . . . . 20.0 111.289 -177.326 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.608 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 77.5 t80 -62.36 -43.29 99.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.604 -178.451 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -69.56 -31.76 70.14 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.417 -0.586 . . . . 20.0 109.417 178.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 19' ' ' ASN . 31.6 mm-40 -63.5 -42.9 98.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.815 -0.63 . . . . 20.0 110.496 177.47 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 17.4 m0 -66.25 -35.55 80.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.681 179.113 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.63 -38.66 80.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 20.0 110.355 178.129 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -62.8 -27.63 69.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.794 179.241 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.31 -30.62 17.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 20.0 111.244 179.126 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -67.11 -26.15 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.88 -0.6 . . . . 20.0 111.342 -176.146 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.304 0.573 . . . . 20.0 110.683 179.887 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 p80 . . . . . 0 C--O 1.232 0.156 0 N-CA-C 109.741 -0.466 . . . . 20.0 109.741 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -60.94 -24.04 65.75 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.744 -0.662 . . . . 20.0 110.914 177.342 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.77 -44.04 85.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 20.0 110.81 178.312 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.2 t -68.5 -44.99 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 20.0 110.529 -179.428 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.45 -41.72 98.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.726 -0.67 . . . . 20.0 110.394 -178.522 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -64.44 -35.8 82.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.223 0.535 . . . . 20.0 110.451 178.377 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -72.37 -39.26 68.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.482 -0.781 . . . . 20.0 110.743 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 42.3 tpp -76.74 -40.93 46.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.839 -177.438 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.44 62.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 20.0 111.72 -177.402 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -54.41 -35.29 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.127 -0.488 . . . . 20.0 111.501 -178.36 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -84.98 -26.94 26.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.865 0.364 . . . . 20.0 111.267 -177.703 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -85.43 -42.83 14.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.475 -0.33 . . . . 20.0 111.251 -176.859 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.99 79.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.02 -0.536 . . . . 20.0 111.652 -175.137 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.73 -33.77 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.407 -0.36 . . . . 20.0 111.273 -178.203 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 58.8 ttp -70.29 -35.19 73.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 20.0 110.371 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.555 . . . . 20.0 110.822 179.405 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.619 0.247 . . . . 20.0 111.351 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -74.93 -34.82 62.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.423 -178.208 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -79.33 -28.09 42.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.203 0.525 . . . . 20.0 109.697 -178.844 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -70.4 -17.27 63.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 20.0 110.686 174.531 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -69.64 -25.7 64.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.223 0.535 . . . . 20.0 109.606 176.024 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.442 ' HA ' ' HB3' ' A' ' 24' ' ' TRP . 54.2 m-85 -72.42 -18.24 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.4 177.504 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -70.78 -39.88 72.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.229 -0.656 . . . . 20.0 109.229 176.064 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -36.51 65.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.064 175.366 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.442 ' HB3' ' HA ' ' A' ' 21' ' ' TYR . 67.0 t-105 -59.91 -28.86 67.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.758 -0.655 . . . . 20.0 110.713 175.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.404 ' O ' HD11 ' A' ' 25' ' ' LEU . 3.0 tm? -58.93 -38.59 79.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.795 -0.446 . . . . 20.0 109.795 177.141 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -77.97 -21.19 51.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.822 -178.527 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.98 -36.07 16.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.209 -0.451 . . . . 20.0 111.131 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.41 -37.66 84.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.823 -0.626 . . . . 20.0 111.026 -177.358 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.085 0.469 . . . . 20.0 110.908 179.751 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 p80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.117 0.484 . . . . 20.0 109.908 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.59 -35.79 75.0 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.61 -0.723 . . . . 20.0 110.272 176.404 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -56.96 -40.92 77.37 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.537 0.684 . . . . 20.0 110.065 177.288 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.7 t -71.79 -56.28 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.057 -0.974 . . . . 20.0 110.604 -178.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.76 -35.25 68.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.919 -0.582 . . . . 20.0 111.441 -177.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 14.1 ttm180 -63.08 -51.27 67.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 20.0 111.401 -178.57 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -77.47 -36.46 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.154 -175.418 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -39.16 89.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.586 -0.279 . . . . 20.0 110.551 176.323 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.26 -37.5 80.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 20.0 110.935 177.442 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 43.2 mt-10 -65.06 -35.44 81.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.107 178.763 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -72.71 -44.97 61.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.577 -0.738 . . . . 20.0 110.802 178.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -63.85 -39.51 94.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.495 -0.321 . . . . 20.0 110.75 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.4 -24.0 67.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.967 0.413 . . . . 20.0 111.06 178.911 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -90.22 -52.76 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.937 -0.574 . . . . 20.0 111.151 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 59.9 ttp -79.6 -46.33 17.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.451 -0.341 . . . . 20.0 111.633 -173.537 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 108.927 -0.768 . . . . 20.0 108.927 179.239 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 121.052 0.453 . . . . 20.0 110.205 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -65.44 -28.98 69.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.947 -0.57 . . . . 20.0 109.926 175.69 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.29 -41.16 90.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.208 179.24 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.85 -40.52 54.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.499 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -70.24 -12.46 61.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.023 0.439 . . . . 20.0 111.172 179.243 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.649 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 64.8 t80 -77.13 -18.3 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.007 0.432 . . . . 20.0 110.305 177.473 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -62.48 -37.47 86.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.593 178.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -60.07 -37.71 80.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.726 176.597 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -66.64 -44.18 82.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.956 -0.566 . . . . 20.0 109.851 178.327 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.504 ' O ' HG21 ' A' ' 29' ' ' VAL . 96.4 mt -61.41 -47.33 86.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.513 177.415 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -55.27 -42.46 73.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 20.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.22 86.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.93 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -74.98 -35.06 62.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.68 -178.666 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 25' ' ' LEU . 84.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.22 0.533 . . . . 20.0 110.288 176.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.42 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 23.1 m170 . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 120.66 0.267 . . . . 20.0 111.131 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -70.67 -38.7 73.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.996 -0.547 . . . . 20.0 110.88 -178.186 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.14 -23.49 54.82 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.557 -0.457 . . . . 20.0 110.153 -177.79 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.58 -45.91 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.211 -0.663 . . . . 20.0 109.211 174.006 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 38.4 mt-10 -60.04 -42.35 94.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.308 -0.86 . . . . 20.0 110.244 176.283 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -64.56 -40.8 96.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.03 -0.532 . . . . 20.0 111.563 -179.07 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -68.54 -42.69 78.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.741 -0.209 . . . . 20.0 111.466 -178.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 17.0 ptp -71.54 -32.99 68.77 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.492 -0.483 . . . . 20.0 110.64 178.662 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.26 -51.05 71.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.707 0.289 . . . . 20.0 111.362 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.16 -19.76 64.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.83 -178.79 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -75.97 -41.62 50.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.259 -0.428 . . . . 20.0 109.911 176.356 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.629 ' HE1' ' CE2' ' A' ' 53' ' ' PHE . 21.6 m-85 -70.54 -29.39 65.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.208 0.528 . . . . 20.0 110.222 177.052 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.09 -21.53 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.441 -0.799 . . . . 20.0 111.601 -178.107 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -66.93 -23.27 65.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.852 179.241 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 56.4 ttm -83.82 -14.12 52.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.15 0.5 . . . . 20.0 110.187 178.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 77.9 ttt180 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 20.0 110.086 179.294 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HA ' ' HB3' ' A' ' 19' ' ' ASN . 74.5 mm-40 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.788 0.327 . . . . 20.0 110.954 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -64.7 -33.85 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.082 0.467 . . . . 20.0 110.125 176.212 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -89.57 -31.45 17.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.749 -0.66 . . . . 20.0 109.668 178.148 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.42 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . 65.8 t30 -66.55 -20.29 65.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.48 -0.782 . . . . 20.0 110.221 178.001 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.3 m -60.28 -28.57 68.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 20.0 110.681 176.033 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -73.88 -33.7 64.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 20.0 110.216 177.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.99 -41.71 90.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.457 -178.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.86 -30.26 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.509 . . . . 20.0 110.435 179.274 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -69.01 -43.09 75.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.57 -0.741 . . . . 20.0 110.243 175.896 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.8 tp -74.38 -31.54 62.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.944 -0.571 . . . . 20.0 110.749 -178.34 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 26' ' ' ARG . 17.9 ttm-85 -51.74 -53.79 35.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.625 -0.716 . . . . 20.0 111.628 -178.531 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -9.87 59.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.058 -0.519 . . . . 20.0 111.65 -175.169 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -90.29 -45.65 8.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.153 -0.476 . . . . 20.0 110.972 -178.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.705 -175.596 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.572 ' O ' HG13 ' A' ' 45' ' ' VAL . 42.1 t-80 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.818 0.342 . . . . 20.0 110.784 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -80.6 -8.77 59.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.877 0.37 . . . . 20.0 110.839 177.178 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.65 -29.03 56.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.406 -0.361 . . . . 20.0 110.854 -178.416 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 42' ' ' HIS . 14.0 p -68.9 -25.93 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.923 0.392 . . . . 20.0 109.983 176.871 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.83 -48.69 68.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.077 0.465 . . . . 20.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -72.76 -34.95 67.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.696 -179.218 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -74.76 -34.83 62.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.877 -177.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 46.3 ttm -63.82 -32.79 74.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 20.0 110.508 -179.559 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -33.46 75.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.232 0.539 . . . . 20.0 110.644 178.192 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 41.6 mt-10 -72.56 -29.63 63.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.594 -0.73 . . . . 20.0 110.282 178.264 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -63.59 -41.37 98.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 20.0 109.845 177.276 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.629 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 58.1 m-85 -69.26 -32.71 72.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.724 -0.671 . . . . 20.0 110.703 176.796 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.7 -14.52 61.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 20.0 111.205 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 68.6 mttm -68.0 -25.48 65.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.992 0.425 . . . . 20.0 110.283 175.384 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.6 mmt -77.91 -1.03 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.651 -178.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.267 179.001 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.468 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 N-CA-C 112.204 0.446 . . . . 20.0 112.204 . . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.36 -19.88 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.969 0.414 . . . . 20.0 111.26 -179.022 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.72 -24.76 33.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.588 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.468 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 9.6 m120 -61.57 -24.66 66.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.404 -0.362 . . . . 20.0 111.693 -171.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.5 p -72.21 -47.29 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.147 0.499 . . . . 20.0 110.844 178.838 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.642 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 51.1 t80 -80.57 -34.82 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.843 -0.617 . . . . 20.0 110.734 -179.522 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -56.88 -37.73 71.77 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.919 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -64.02 -46.11 85.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 20.0 110.616 179.499 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -71.58 -35.6 70.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.477 -178.377 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -71.88 -33.38 68.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.022 -0.536 . . . . 20.0 110.137 178.312 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -57.93 -27.62 63.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.595 -0.729 . . . . 20.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.98 -37.95 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.931 0.396 . . . . 20.0 110.983 178.835 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -90.22 -30.04 17.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 20.0 110.685 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.6 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 20.0 111.116 -178.81 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.442 0.163 . . . . 20.0 111.203 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -73.27 -34.81 66.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.292 0.568 . . . . 20.0 109.632 173.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.9 -36.85 80.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.297 -0.865 . . . . 20.0 110.333 -179.081 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.36 -44.34 92.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.874 -0.603 . . . . 20.0 110.505 177.891 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -61.39 -37.13 82.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.028 0.442 . . . . 20.0 110.286 178.424 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -65.64 -47.25 76.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.037 -179.84 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -19.95 60.74 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.743 -0.383 . . . . 20.0 111.028 -179.07 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -38.99 82.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.046 0.451 . . . . 20.0 109.964 171.765 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.8 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.255 176.357 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.609 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 43.9 mt-10 -63.51 -41.98 98.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.414 -0.812 . . . . 20.0 110.176 176.862 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -57.17 -45.14 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.906 177.766 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.659 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 38.9 t80 -64.55 -38.0 89.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.201 0.524 . . . . 20.0 110.101 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.16 88.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.79 -0.641 . . . . 20.0 111.183 179.701 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 96.3 mttt -60.64 -32.17 71.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.48 . . . . 20.0 110.998 179.398 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.8 ttp -62.86 -38.55 91.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.526 . . . . 20.0 111.058 -177.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 20.0 110.858 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.724 0.297 . . . . 20.0 110.2 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -55.77 -43.17 76.47 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.142 -0.481 . . . . 20.0 110.287 178.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -70.12 -38.64 75.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.921 -0.581 . . . . 20.0 110.061 179.411 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.99 -30.31 71.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.302 -0.408 . . . . 20.0 111.007 179.246 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 t -77.09 -52.04 10.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.389 -0.369 . . . . 20.0 111.253 -178.688 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -92.97 -49.17 6.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.333 0.494 . . . . 20.0 112.333 -173.279 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -74.93 -12.11 60.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.064 0.394 . . . . 20.0 112.064 -169.414 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.3 -36.55 73.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.059 0.457 . . . . 20.0 110.454 179.266 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -87.16 -27.45 23.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.142 0.496 . . . . 20.0 110.827 178.788 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.8 tp -71.19 -30.3 66.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.818 -0.628 . . . . 20.0 110.461 178.919 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -54.91 -30.7 58.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.712 -0.676 . . . . 20.0 111.43 -176.5 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.97 -39.79 25.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 20.0 111.077 179.387 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -79.88 -29.02 39.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.179 -0.464 . . . . 20.0 111.025 -174.725 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.113 0.482 . . . . 20.0 110.408 179.474 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.573 0.225 . . . . 20.0 110.665 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.565 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 32.6 t70 -65.62 -40.26 92.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.515 -0.311 . . . . 20.0 110.343 177.235 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.2 -39.83 95.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.972 0.415 . . . . 20.0 109.979 177.37 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.77 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.6 -0.727 . . . . 20.0 110.451 177.858 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.3 -36.6 81.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.164 -0.471 . . . . 20.0 110.351 177.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 49.7 mtm-85 -69.07 -28.35 66.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.124 0.487 . . . . 20.0 109.744 176.137 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -75.47 -36.4 60.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.614 -0.721 . . . . 20.0 109.991 179.108 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.06 -34.59 75.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.131 176.524 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.41 -29.72 64.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.824 -0.625 . . . . 20.0 110.878 176.523 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.43 -22.22 65.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.597 -0.729 . . . . 20.0 110.664 -179.261 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 56' ' ' MET . 10.6 mpt_? -76.02 -47.69 23.87 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.721 -0.474 . . . . 20.0 109.721 174.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.598 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 97.2 m-85 -62.48 -34.27 76.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 20.0 110.794 179.575 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.49 77.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.946 -0.57 . . . . 20.0 111.081 177.428 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -82.01 -26.14 34.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.104 -0.498 . . . . 20.0 110.409 178.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 30.6 mmt -70.06 -27.8 64.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.079 176.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.722 -0.672 . . . . 20.0 110.759 179.333 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.868 0.366 . . . . 20.0 110.485 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.08 -39.54 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.902 -0.59 . . . . 20.0 110.768 -178.771 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -75.8 -37.73 58.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.486 -179.554 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -69.14 -48.18 63.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 20.0 110.873 -176.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.5 m -64.18 -34.56 78.36 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.75 0.31 . . . . 20.0 110.943 -179.116 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -70.78 -44.29 66.95 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.914 -0.402 . . . . 20.0 109.914 177.738 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.46 -39.72 94.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.969 -0.56 . . . . 20.0 110.741 178.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -55.97 -37.43 69.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.521 -0.763 . . . . 20.0 111.036 -179.431 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -90.34 -39.66 12.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.776 179.917 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 tp -62.18 -25.42 67.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.773 -174.759 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 26' ' ' ARG . 22.9 ptt85 -58.6 -24.64 61.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.839 0.352 . . . . 20.0 110.844 179.532 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.06 63.64 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.178 177.093 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -66.24 -39.25 89.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.222 -0.445 . . . . 20.0 110.422 -179.778 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 20.0 111.485 178.508 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 . . . . . 0 N--CA 1.462 0.171 0 N-CA-C 112.644 0.609 . . . . 20.0 112.644 . . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -77.96 -32.2 51.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.408 0.623 . . . . 20.0 109.921 176.162 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.58 -23.97 36.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.439 -0.801 . . . . 20.0 110.377 -178.873 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.86 -36.58 44.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.771 176.146 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.2 -33.64 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.157 0.503 . . . . 20.0 110.64 179.069 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.555 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 3.3 mmp_? -84.47 -40.83 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.889 178.405 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -74.2 -20.59 60.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.097 -176.295 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 54.0 tpp -63.33 -28.94 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.7 179.565 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.2 -25.53 67.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.299 0.571 . . . . 20.0 110.677 176.888 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -92.17 -34.42 14.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.68 . . . . 20.0 111.093 175.878 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 5.7 mmp_? -82.31 -17.91 44.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.796 0.665 . . . . 20.0 112.796 -172.528 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.652 ' HE1' ' CE2' ' A' ' 53' ' ' PHE . 1.9 p90 -63.21 -17.65 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.246 0.546 . . . . 20.0 110.592 -179.485 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -67.7 -9.96 48.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.455 -0.793 . . . . 20.0 111.609 179.709 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -79.17 -24.76 43.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.761 0.315 . . . . 20.0 110.505 176.685 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.1 ttt -68.87 -22.49 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 20.0 111.7 -172.566 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 15.6 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 20.0 110.421 176.877 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 113.048 0.759 . . . . 20.0 113.048 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -92.5 -73.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.783 0.661 . . . . 20.0 112.783 -175.203 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -91.69 -38.53 12.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.38 0.61 . . . . 20.0 110.958 -174.139 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.429 ' O ' ' HG3' ' A' ' 23' ' ' GLU . 29.7 m-20 -65.02 -14.93 61.65 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.286 -0.87 . . . . 20.0 111.959 -174.532 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -57.99 -38.63 76.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 20.0 111.184 178.99 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.639 ' HD2' ' CD1' ' A' ' 21' ' ' TYR . 45.0 t80 -88.66 -29.1 20.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.575 -0.528 . . . . 20.0 109.575 179.213 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 19' ' ' ASN . 28.0 t-20 -62.98 -24.99 68.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.532 178.102 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 39.6 mt-10 -50.77 -43.91 58.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.49 -0.323 . . . . 20.0 111.528 177.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -74.48 -38.74 62.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.512 -0.313 . . . . 20.0 110.995 -179.011 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.04 -42.57 89.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.657 -0.498 . . . . 20.0 109.657 179.811 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -62.32 -45.79 91.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.451 -0.795 . . . . 20.0 110.678 -178.831 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.6 -24.64 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.092 0.472 . . . . 20.0 111.252 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -79.89 -48.32 13.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.849 -0.614 . . . . 20.0 110.631 -179.28 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 20.0 110.761 179.923 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.513 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 8.4 p-80 . . . . . 0 N--CA 1.457 -0.108 0 N-CA-C 110.313 -0.255 . . . . 20.0 110.313 . . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.465 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 11.0 m-20 -59.33 -40.3 85.91 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 109.646 -0.501 . . . . 20.0 109.646 174.39 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 14.6 tp10 -52.56 -45.73 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.334 175.776 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.02 -46.48 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.52 -0.763 . . . . 20.0 111.229 -178.91 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 38.8 mt-10 -61.35 -40.15 93.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 20.0 111.535 -177.165 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 43' ' ' ASP . 3.4 mpt_? -68.39 -21.44 64.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 20.0 110.942 178.551 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 92.9 mtt180 -83.3 -40.61 19.28 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.766 -0.457 . . . . 20.0 109.766 176.627 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.2 mmt -70.46 -21.0 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.756 178.571 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.7 -34.82 65.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 20.0 111.106 176.892 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.08 -26.51 62.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.751 179.617 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -84.45 -25.82 28.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.865 -0.607 . . . . 20.0 109.561 -179.25 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -65.54 -14.63 61.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.27 -0.877 . . . . 20.0 110.385 176.804 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.51 -26.66 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 20.0 110.493 175.226 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -69.51 -25.84 64.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.921 -0.581 . . . . 20.0 110.762 177.479 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 96.4 mmm -73.05 -13.98 61.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.108 0.48 . . . . 20.0 110.451 179.797 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.152 -0.684 . . . . 20.0 109.152 175.111 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 43.5 mt-10 . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 112.094 0.405 . . . . 20.0 112.094 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -65.15 -21.4 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.92 0.391 . . . . 20.0 110.812 178.721 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -81.73 -28.05 33.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.365 0.602 . . . . 20.0 109.654 175.915 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.412 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 17.0 m120 -73.11 -14.96 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.298 -0.865 . . . . 20.0 110.117 178.583 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -63.33 -19.96 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.48 176.046 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 45.4 t80 -65.24 -50.91 64.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.545 -0.298 . . . . 20.0 110.58 177.858 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.453 ' HA ' HD13 ' A' ' 25' ' ' LEU . 2.8 p-10 -71.76 -22.48 61.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.036 0.446 . . . . 20.0 110.09 178.91 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.66 -39.78 92.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.649 . . . . 20.0 109.978 173.025 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -75.88 -29.52 58.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.336 . . . . 20.0 111.007 176.47 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 21' ' ' TYR . 96.5 mt -67.22 -43.53 81.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.53 -0.305 . . . . 20.0 111.015 -178.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.446 ' HD2' ' C ' ' A' ' 26' ' ' ARG . 4.5 ppt_? -66.97 -20.82 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.226 0.536 . . . . 20.0 110.35 178.26 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.22 -21.6 46.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.842 -0.617 . . . . 20.0 110.878 177.78 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -73.71 -46.82 43.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.268 179.44 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.041 176.915 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.7 p80 . . . . . 0 N--CA 1.468 0.437 0 N-CA-C 111.897 0.332 . . . . 20.0 111.897 . . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -80.84 -21.27 40.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 20.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -89.27 -33.74 16.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.093 178.221 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.2 t -58.73 -40.32 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 20.0 110.155 175.688 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.82 -23.5 63.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.388 -0.824 . . . . 20.0 110.937 179.357 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -83.98 -69.03 0.67 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.364 -0.38 . . . . 20.0 111.404 -178.047 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -90.67 -39.09 12.66 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.668 0.618 . . . . 20.0 112.668 -171.353 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 82.9 mtp -89.6 -16.31 30.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.906 0.706 . . . . 20.0 112.906 -171.914 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.56 -58.77 1.22 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.666 0.987 . . . . 20.0 113.666 -173.422 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 33.9 mt-10 -72.58 -32.5 66.05 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.664 -0.414 . . . . 20.0 111.164 -175.945 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -62.25 -40.88 97.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.264 0.554 . . . . 20.0 109.759 175.796 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.593 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 79.6 t80 -69.5 -37.26 77.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.387 -0.824 . . . . 20.0 110.091 178.321 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.37 97.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.955 -0.566 . . . . 20.0 110.941 177.761 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 99.5 mttt -62.98 -36.0 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.689 -179.348 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 21.7 ptp -85.53 -19.69 30.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.749 0.309 . . . . 20.0 110.82 -178.67 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.09 178.973 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.731 0.3 . . . . 20.0 111.19 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.79 -35.99 75.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 20.0 110.161 178.943 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.404 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 7.8 mm-40 -80.58 -38.27 29.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.958 -0.565 . . . . 20.0 110.437 -179.232 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -73.05 -14.79 61.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 20.0 110.339 -179.911 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 t -59.96 -17.5 38.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.459 -0.791 . . . . 20.0 111.583 -178.539 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.404 ' HD1' ' O ' ' A' ' 18' ' ' GLU . 16.0 p90 -55.48 -27.34 47.78 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.522 0.201 . . . . 20.0 111.45 -177.722 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 92.1 m-20 -62.09 -28.68 69.79 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.315 -0.402 . . . . 20.0 111.349 179.804 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.05 -35.62 81.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.88 -177.829 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -69.31 -29.12 66.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.448 -0.342 . . . . 20.0 110.623 176.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.55 -34.64 72.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 20.0 109.912 175.844 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 12.3 mmp_? -73.08 -40.58 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.079 178.394 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.18 -22.09 63.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.875 -0.602 . . . . 20.0 110.899 178.715 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.13 -44.92 90.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.709 177.268 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.121 179.09 . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.4 p80 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.571 0.224 . . . . 20.0 110.849 . . . . . . . . . 0 0 . 1 . 044 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.64 -52.45 65.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 20.0 110.823 176.134 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.33 -18.91 59.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.498 -0.319 . . . . 20.0 110.825 -177.949 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.21 -42.16 95.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.984 0.421 . . . . 20.0 110.149 176.068 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -59.4 -33.46 71.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.552 -0.749 . . . . 20.0 110.467 176.935 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 6.9 tpm_? -83.1 -32.0 26.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.842 -0.617 . . . . 20.0 110.935 -179.18 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.683 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 65.2 mtp180 -78.07 -16.97 57.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.497 -179.348 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.6 mmt -48.53 -35.26 12.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.709 -0.223 . . . . 20.0 111.452 177.567 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.68 -50.89 62.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 20.0 111.992 178.43 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.683 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 11.6 pt-20 -67.96 -30.51 69.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.071 0.462 . . . . 20.0 110.373 -178.638 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -70.6 -32.91 70.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.423 179.208 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.633 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 22.3 m-85 -72.54 -31.99 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.391 . . . . 20.0 110.228 175.628 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.23 93.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.223 174.606 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 48.3 mtpt -77.17 -19.75 56.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.975 -0.557 . . . . 20.0 110.442 176.837 . . . . . . . . 2 2 . 1 . 044 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.5 ttt -71.01 -21.49 62.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.004 177.405 . . . . . . . . 1 1 . 1 . 044 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.895 174.911 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.75 0.31 . . . . 20.0 110.902 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -63.87 -29.15 70.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 20.0 111.191 179.425 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.97 -40.23 92.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.047 -0.353 . . . . 20.0 110.047 179.492 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -67.56 -24.77 65.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.705 -177.31 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m -70.76 -41.58 71.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.979 -0.555 . . . . 20.0 110.136 177.44 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.64 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 43.6 m-85 -80.86 -30.78 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.268 -179.752 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -54.82 -37.79 66.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.779 -0.646 . . . . 20.0 110.186 178.886 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.65 -45.17 95.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.839 179.752 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -77.83 -36.37 50.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 20.0 110.801 -178.018 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.77 -26.72 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.902 0.382 . . . . 20.0 110.346 177.626 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -70.27 -24.23 63.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.98 -0.555 . . . . 20.0 110.249 178.495 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.91 -32.34 20.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.122 0.487 . . . . 20.0 110.527 178.249 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -91.06 2.15 56.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.661 -0.699 . . . . 20.0 111.222 -177.843 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 112.356 0.502 . . . . 20.0 112.356 -173.621 . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 . . . . . 0 CA--C 1.518 -0.288 0 CA-C-O 121.366 0.603 . . . . 20.0 109.71 . . . . . . . . . 0 0 . 1 . 045 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 8.6 m-20 -70.12 -15.65 63.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.295 -0.866 . . . . 20.0 110.206 177.295 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.15 -43.49 95.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.751 -0.658 . . . . 20.0 110.415 177.947 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.3 -38.09 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.466 0.65 . . . . 20.0 109.9 178.31 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.17 -30.81 71.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.962 -1.017 . . . . 20.0 111.26 179.362 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 5.3 mmp_? -56.15 -42.38 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.481 -0.327 . . . . 20.0 111.549 -176.723 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -65.37 -35.32 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.265 0.555 . . . . 20.0 110.28 -179.314 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.38 -25.96 42.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.211 -179.597 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.37 -31.59 72.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.817 -0.628 . . . . 20.0 110.316 175.02 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.53 -28.18 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 20.0 110.684 176.797 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -73.89 -40.67 63.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.356 -0.609 . . . . 20.0 109.356 175.195 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.626 ' HE1' ' CE2' ' A' ' 53' ' ' PHE . 74.8 t80 -66.16 -23.63 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.312 177.379 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -64.11 -18.64 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.793 -0.64 . . . . 20.0 111.215 177.57 . . . . . . . . 2 2 . 1 . 045 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -90.06 -21.82 22.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.168 0.509 . . . . 20.0 110.216 176.756 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -91.89 -2.42 56.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.853 -0.612 . . . . 20.0 111.368 178.737 . . . . . . . . 1 1 . 1 . 045 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 4.7 ptp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 20.0 110.787 -178.48 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 CA--C 1.527 0.063 0 N-CA-C 111.746 0.276 . . . . 20.0 111.746 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.85 -44.54 96.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 20.0 110.92 -178.036 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.77 -33.81 46.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.888 0.375 . . . . 20.0 110.479 -179.666 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.94 -20.57 65.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 20.0 111.032 179.332 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -65.01 -34.61 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 20.0 110.648 177.1 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -78.04 -38.07 45.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.729 -0.471 . . . . 20.0 109.729 178.049 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.18 -40.94 95.8 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.967 -0.56 . . . . 20.0 109.868 175.267 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.52 -47.52 83.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.8 -0.636 . . . . 20.0 110.414 178.035 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -62.83 -42.33 99.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.608 -0.724 . . . . 20.0 111.034 -179.096 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -73.67 -37.04 65.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 20.0 110.528 -178.587 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -68.28 -32.07 71.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.981 -0.554 . . . . 20.0 110.297 179.016 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.29 -24.63 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.599 . . . . 20.0 111.414 -179.504 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -67.56 -32.11 72.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 20.0 110.255 178.527 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.205 -0.452 . . . . 20.0 110.364 177.72 . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 . . . . . 0 N--CA 1.46 0.07 0 N-CA-C 111.618 0.229 . . . . 20.0 111.618 . . . . . . . . . 0 0 . 1 . 046 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.27 -43.49 78.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.015 0.436 . . . . 20.0 110.547 178.023 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -69.24 -34.84 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 20.0 110.645 -176.908 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.84 -49.55 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.68 . . . . 20.0 110.662 -178.775 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.91 -48.72 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.72 -0.673 . . . . 20.0 110.965 -179.323 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.411 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 40.5 ttm180 -58.05 -38.93 77.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.975 0.417 . . . . 20.0 111.003 -179.677 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -70.07 -48.37 58.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.981 -0.554 . . . . 20.0 111.169 -178.719 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.7 mtt -80.23 -48.88 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.18 0.437 . . . . 20.0 112.18 -173.504 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -56.17 14.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.54 0.57 . . . . 20.0 112.54 -171.323 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.411 ' OE2' ' HG3' ' A' ' 47' ' ' ARG . 37.7 mt-10 -60.45 -36.3 77.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.903 0.334 . . . . 20.0 111.903 -174.093 . . . . . . . . 2 2 . 1 . 046 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -78.59 -35.12 46.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.771 0.32 . . . . 20.0 110.829 -179.394 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -75.32 -22.92 57.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.924 0.393 . . . . 20.0 110.195 -179.243 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.17 87.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.612 176.321 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -75.52 -16.8 60.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.947 -0.569 . . . . 20.0 110.158 179.063 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.5 mtt -87.71 -10.91 49.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.74 -0.664 . . . . 20.0 110.518 177.281 . . . . . . . . 1 1 . 1 . 046 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.118 -0.492 . . . . 20.0 109.725 174.904 . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.933 0.397 . . . . 20.0 111.499 . . . . . . . . . 0 0 . 1 . 047 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -66.92 -30.37 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.712 -178.447 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.647 ' HA ' ' CD2' ' A' ' 21' ' ' TYR . 45.9 mt-10 -81.4 -35.13 31.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 20.0 109.962 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.09 -34.44 76.32 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.394 -0.595 . . . . 20.0 109.394 172.644 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.3 m -71.04 -20.74 62.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.667 -0.697 . . . . 20.0 111.155 179.76 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.647 ' CD2' ' HA ' ' A' ' 18' ' ' GLU . 15.6 m-85 -68.03 -23.14 64.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.874 0.368 . . . . 20.0 110.372 177.295 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -67.69 -18.06 64.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.19 -30.42 71.48 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.041 0.448 . . . . 20.0 110.382 175.507 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -70.66 -33.75 71.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.993 -0.549 . . . . 20.0 110.05 177.959 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mp -78.49 -33.84 47.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 20.0 109.985 177.643 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HA ' HG13 ' A' ' 29' ' ' VAL . 77.7 ttt180 -49.91 -41.45 46.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.177 -0.92 . . . . 20.0 111.88 -179.044 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.05 77.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.886 -177.411 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -92.46 -34.09 14.25 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.339 0.496 . . . . 20.0 112.339 -178.266 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 26' ' ' ARG . 6.4 p . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 112.015 0.376 . . . . 20.0 112.015 -173.372 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.496 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 36.1 m-70 . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 111.973 0.36 . . . . 20.0 111.973 . . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -77.77 -30.16 51.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 20.0 110.548 -178.875 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG3' ' HE ' ' A' ' 47' ' ' ARG . 22.6 tt0 -73.88 -35.45 64.7 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.831 -0.433 . . . . 20.0 109.831 176.248 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 80.0 t -57.79 -40.36 75.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.097 -0.501 . . . . 20.0 110.481 177.074 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 35.4 mt-10 -60.37 -54.34 46.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.177 179.755 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' HE ' ' HG3' ' A' ' 44' ' ' GLU . 40.6 ptt180 -68.16 -30.21 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.398 . . . . 20.0 110.859 -177.712 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -79.2 -27.19 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.565 -178.028 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 48.2 ttm -64.07 -37.03 85.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 20.0 110.516 -179.031 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.81 79.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.314 0.578 . . . . 20.0 110.373 176.638 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.17 -21.31 46.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.836 . . . . 20.0 110.412 179.624 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -33.01 60.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.709 174.683 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.65 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 55.5 t80 -71.77 -26.43 62.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.87 -0.605 . . . . 20.0 109.908 176.705 . . . . . . . . 2 2 . 1 . 047 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.8 -24.4 65.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.707 -0.679 . . . . 20.0 110.782 176.254 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -63.44 -32.21 73.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.864 -0.607 . . . . 20.0 110.28 176.828 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.7 ttt -64.17 -29.22 70.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.776 -0.647 . . . . 20.0 110.66 179.335 . . . . . . . . 1 1 . 1 . 047 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.39 -179.844 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 42.3 mt-10 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 112.204 0.446 . . . . 20.0 112.204 . . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -54.52 -46.35 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.75 -0.204 . . . . 20.0 111.032 179.176 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.7 -28.62 65.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.941 0.4 . . . . 20.0 110.642 178.621 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 12.3 m120 -68.76 -34.62 75.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.483 -0.562 . . . . 20.0 109.483 178.93 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.6 m -79.54 -21.65 44.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.449 178.185 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -74.15 -45.92 45.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.955 -177.623 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -69.0 -30.47 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.68 -0.408 . . . . 20.0 110.317 -179.171 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.97 -37.85 87.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.179 0.514 . . . . 20.0 109.82 175.185 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -64.24 -39.92 94.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.634 -0.712 . . . . 20.0 110.221 176.763 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.3 -38.32 90.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.097 0.475 . . . . 20.0 110.144 177.459 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -58.81 -43.38 90.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.619 -0.719 . . . . 20.0 110.748 175.906 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.27 72.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 20.0 111.05 179.829 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -68.5 -46.05 70.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.867 178.588 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.605 -177.117 . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 p80 . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 121.271 0.558 . . . . 20.0 109.953 . . . . . . . . . 0 0 . 1 . 048 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -51.14 -45.2 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.886 -1.052 . . . . 20.0 112.949 -174.071 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -23.09 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.733 -0.387 . . . . 20.0 110.544 -177.051 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.0 -37.06 77.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.47 -0.567 . . . . 20.0 109.47 173.283 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.01 -38.39 73.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.253 -0.885 . . . . 20.0 110.279 174.669 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -74.6 -38.56 62.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.814 -0.63 . . . . 20.0 109.972 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -58.3 -41.65 84.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.576 . . . . 20.0 110.218 175.029 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.0 mmt -70.25 -31.87 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.711 -0.677 . . . . 20.0 110.751 178.01 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.02 -43.06 88.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.543 177.389 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.97 -33.98 74.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.826 -0.624 . . . . 20.0 110.059 177.354 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -63.7 -39.88 95.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.53 -0.759 . . . . 20.0 110.112 176.754 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.631 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 78.6 t80 -68.02 -36.04 79.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.144 176.696 . . . . . . . . 2 2 . 1 . 048 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.16 76.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.006 179.106 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -69.67 -23.76 63.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.74 178.466 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 97.0 mmm -85.98 -22.0 27.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.152 0.501 . . . . 20.0 110.379 178.738 . . . . . . . . 1 1 . 1 . 048 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.628 -0.714 . . . . 20.0 110.152 177.818 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.812 0.339 . . . . 20.0 111.003 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -83.69 -30.48 26.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 20.0 110.262 179.63 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.83 -26.52 68.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.067 176.467 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -61.03 -31.53 71.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.63 178.397 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -71.01 -30.92 67.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.066 0.46 . . . . 20.0 110.451 178.273 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.508 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 65.9 m-85 -73.7 -38.22 64.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.34 0.591 . . . . 20.0 109.625 176.264 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -69.88 -21.89 63.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.52 -0.764 . . . . 20.0 110.591 176.861 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -66.03 -39.52 90.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 20.0 109.878 178.027 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.508 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 9.0 m0 -73.26 -27.26 61.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.108 0.48 . . . . 20.0 110.093 177.466 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.8 mt -72.63 -10.59 59.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 20.0 110.881 178.066 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -66.75 -40.12 88.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 20.0 110.435 174.373 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.46 -34.3 20.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.45 0.643 . . . . 20.0 110.456 179.356 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -82.72 3.81 27.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.234 -0.894 . . . . 20.0 111.342 -179.219 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 112.355 0.502 . . . . 20.0 112.355 -176.147 . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.563 0.22 . . . . 20.0 110.915 . . . . . . . . . 0 0 . 1 . 049 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 15.6 t70 -70.48 -39.43 74.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 20.0 110.36 176.557 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.507 ' HG3' ' NH1' ' A' ' 48' ' ' ARG . 32.5 tt0 -72.47 -35.71 68.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.083 -179.633 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.6 t -60.51 -45.79 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.132 175.206 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.76 -27.83 69.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.361 -0.836 . . . . 20.0 111.389 -178.033 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 62.3 mtt-85 -84.83 -53.35 5.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.549 -0.296 . . . . 20.0 111.205 178.751 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.507 ' NH1' ' HG3' ' A' ' 44' ' ' GLU . 7.2 mpt_? -87.41 -59.58 2.21 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.339 0.496 . . . . 20.0 112.339 -173.01 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 62.6 mtp -69.32 -19.91 63.88 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.329 0.492 . . . . 20.0 112.329 -172.297 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.14 78.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.968 0.414 . . . . 20.0 110.929 177.368 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -67.94 -29.7 68.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.662 -179.339 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' A' ' 56' ' ' MET . 36.4 mtp180 -79.12 -33.08 44.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.775 -179.785 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -66.35 -37.95 86.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 20.0 109.806 177.833 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.67 -28.07 68.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.089 174.93 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -79.1 -26.82 42.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.481 -0.781 . . . . 20.0 110.302 178.295 . . . . . . . . 1 1 . 1 . 049 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' ' 52' ' ' ARG . 68.0 mtt -63.46 -17.49 62.77 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.857 179.059 . . . . . . . . 2 2 . 1 . 049 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.362 0.601 . . . . 20.0 109.769 175.992 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.97 0.414 . . . . 20.0 110.055 . . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -66.45 -37.04 84.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.668 -0.697 . . . . 20.0 110.836 -179.581 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.58 -44.85 95.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.41 -178.311 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -72.76 -42.28 64.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.154 -0.475 . . . . 20.0 111.22 -178.295 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 p -65.42 -33.81 76.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.013 0.435 . . . . 20.0 110.977 -178.484 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 1.664 ' HD2' ' CD1' ' A' ' 21' ' ' TYR . 68.4 t80 -72.95 -38.62 66.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.273 -0.422 . . . . 20.0 110.46 179.266 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -64.19 -33.56 76.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.362 -0.381 . . . . 20.0 110.819 178.22 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.03 -38.95 93.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.344 -0.389 . . . . 20.0 110.577 176.282 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -70.91 -37.74 72.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.319 -0.4 . . . . 20.0 110.513 177.526 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.4 tp -56.94 -42.12 79.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.038 0.447 . . . . 20.0 110.289 178.031 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -70.29 -27.34 64.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.877 -0.601 . . . . 20.0 111.125 178.958 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.47 -32.53 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.042 -179.137 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -74.12 -39.88 63.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.731 -179.137 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 121.546 0.689 . . . . 20.0 110.699 -179.274 . . . . . . . . 0 0 . 1 . 050 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.591 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 44.2 m80 . . . . . 0 CA--C 1.517 -0.327 0 CA-C-O 120.519 0.199 . . . . 20.0 110.947 . . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.17 -37.48 80.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.537 -177.216 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.81 -13.0 60.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.814 0.34 . . . . 20.0 110.847 179.242 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.0 t -91.11 -48.11 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.015 0.436 . . . . 20.0 110.405 176.191 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 31.4 mm-40 -54.27 -37.23 64.48 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.522 -0.763 . . . . 20.0 111.353 -178.721 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -59.14 -33.23 70.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.023 -0.535 . . . . 20.0 111.164 -179.545 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 45.0 mtp180 -82.41 -43.11 17.73 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.998 -0.371 . . . . 20.0 109.998 -178.809 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 59.9 mtt -61.29 -28.45 69.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.944 -0.571 . . . . 20.0 111.108 -179.384 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -54.94 -45.68 74.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 20.0 111.085 177.572 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -78.77 -22.46 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.565 -179.509 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.517 ' O ' ' HG2' ' A' ' 56' ' ' MET . 25.5 mmm180 -79.59 -19.86 48.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.904 -178.106 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 1.666 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 13.3 m-85 -57.91 -31.02 66.37 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.654 -0.248 . . . . 20.0 111.556 -179.871 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.0 96.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.149 0.499 . . . . 20.0 110.598 177.601 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -77.66 -19.89 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.492 -179.003 . . . . . . . . 1 1 . 1 . 050 nuclear orig core ' A' A ' 56' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 25.8 mmt -70.4 -19.0 63.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.937 -0.574 . . . . 20.0 110.811 179.83 . . . . . . . . 2 2 . 1 . 050 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? . . . . . 0 C--N 1.331 -0.231 0 N-CA-C 109.641 -0.503 . . . . 20.0 109.641 173.621 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.368 -0.234 . . . . 20.0 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -170.01 147.56 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.091 -0.337 . . . . 20.0 110.091 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.609 ' HD2' ' CD1' ' A' ' -5' ' ' TYR . 71.1 m-85 -146.26 -177.32 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.71 -178.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 64.74 50.82 1.97 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.7 -0.682 . . . . 20.0 111.677 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -160.36 -9.89 0.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.4 0.519 . . . . 20.0 112.4 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -57.08 -66.85 0.38 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.837 0.351 . . . . 20.0 110.449 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -124.85 68.78 1.11 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.666 -0.494 . . . . 20.0 109.666 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -77.74 -50.4 12.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.042 -0.526 . . . . 20.0 110.233 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -81.17 -28.68 34.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.492 -0.559 . . . . 20.0 109.492 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 t30 53.22 84.3 0.06 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.375 -0.83 . . . . 20.0 112.51 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 56.91 54.41 7.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 20.0 111.206 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.04 48.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.989 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.57 76.25 5.08 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.351 -0.611 . . . . 20.0 109.351 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 t 61.45 77.94 0.33 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.436 -0.802 . . . . 20.0 109.47 -172.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.453 ' O ' ' HB2' ' A' ' 8' ' ' MET . 61.1 Cg_endo -74.31 62.75 5.28 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.811 2.341 . . . . 20.0 112.214 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 22.6 mmt 72.59 141.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.339 -0.846 . . . . 20.0 111.068 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m -58.63 125.93 15.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.823 -0.626 . . . . 20.0 111.174 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.5 t -171.12 -162.37 0.25 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.615 -0.883 . . . . 20.0 108.615 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.55 97.93 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.003 0.43 . . . . 20.0 110.088 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.668 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 39.0 p90 -72.26 -7.85 51.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 20.0 111.921 -174.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -77.19 -19.9 56.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.285 -0.416 . . . . 20.0 111.28 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 t -140.08 110.0 6.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.806 0.813 . . . . 20.0 111.686 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 71.0 mt -86.12 -37.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.49 -0.777 . . . . 20.0 109.644 175.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -57.51 -47.04 83.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.457 -0.792 . . . . 20.0 112.076 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -63.34 -45.62 90.36 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.001 -0.28 . . . . 20.0 110.731 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -61.76 -41.23 97.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.386 -0.37 . . . . 20.0 110.427 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -60.42 -45.03 95.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.14 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.8 t -59.82 -42.58 93.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.413 -0.358 . . . . 20.0 110.628 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -66.07 -41.09 91.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.486 -0.324 . . . . 20.0 110.955 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -49.54 53.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 20.0 111.066 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -47.67 80.72 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.696 0.284 . . . . 20.0 111.45 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -68.76 -43.23 76.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.117 -0.492 . . . . 20.0 111.024 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.28 -45.56 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.685 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 36.0 ttp-105 -62.68 -33.63 75.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 20.0 111.127 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.8 63.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.103 0.478 . . . . 20.0 110.656 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -76.29 -37.27 57.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.762 -0.654 . . . . 20.0 111.06 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.407 ' HA ' ' OG ' ' A' ' 32' ' ' SER . 4.9 p -70.89 -11.1 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.005 0.431 . . . . 20.0 110.853 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.01 -21.71 60.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.242 0.544 . . . . 20.0 109.892 175.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 m -89.77 -20.18 23.84 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.627 -0.715 . . . . 20.0 109.706 175.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.407 ' OG ' ' HA ' ' A' ' 29' ' ' VAL . 19.1 m -71.37 131.47 43.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 20.0 110.891 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.9 mt 63.28 21.01 12.6 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.582 0.551 . . . . 20.0 111.464 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' C ' ' HD3' ' A' ' 36' ' ' PRO . . . -145.41 135.25 23.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.337 -0.392 . . . . 20.0 110.572 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -127.83 71.72 78.36 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.149 0.5 . . . . 20.0 109.966 176.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.444 ' HD3' ' C ' ' A' ' 34' ' ' ALA . 6.0 Cg_endo -90.23 -67.95 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.277 2.652 . . . . 20.0 111.969 178.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -138.54 68.67 45.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.376 -0.374 . . . . 20.0 110.571 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -72.39 104.59 1.72 Allowed 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.313 2.008 . . . . 20.0 110.775 176.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.31 75.72 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.287 0.565 . . . . 20.0 111.452 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.5 mt -105.6 98.13 16.53 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.586 -0.734 . . . . 20.0 109.337 175.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.518 ' HB2' ' CA ' ' A' ' 46' ' ' GLU . 97.2 Cg_endo -86.23 117.21 1.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.55 2.167 . . . . 20.0 112.663 -175.464 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -94.29 -70.84 0.69 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.42 -0.512 . . . . 20.0 112.136 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.75 -69.88 0.78 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.704 0.631 . . . . 20.0 112.704 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.593 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.4 mm-40 -85.99 -31.51 22.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.971 -0.558 . . . . 20.0 111.433 -170.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.8 t -74.87 -34.35 32.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.452 -0.499 . . . . 20.0 109.77 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.518 ' CA ' ' HB2' ' A' ' 41' ' ' PRO . 41.1 tt0 -68.01 -39.1 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.662 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.593 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 14.4 ptm180 -67.62 -23.23 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.779 0.323 . . . . 20.0 110.206 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 99.7 mtt180 -78.54 -43.04 27.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.206 -0.452 . . . . 20.0 109.931 176.254 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -34.81 78.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.322 174.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.28 72.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.648 -0.705 . . . . 20.0 111.089 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.53 -41.1 93.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.2 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -65.66 -48.02 73.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.684 . . . . 20.0 110.589 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.635 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 26.9 m-85 -64.1 -32.89 74.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.799 0.333 . . . . 20.0 110.774 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.81 72.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 20.0 111.311 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -17.61 59.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 20.0 110.957 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.3 ttt -79.31 -17.51 54.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 20.0 109.858 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -67.64 -30.06 69.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.599 -0.728 . . . . 20.0 109.791 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.1 125.2 39.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.835 -0.621 . . . . 20.0 110.22 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 65.17 105.02 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.863 0.727 . . . . 20.0 111.563 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -83.03 -62.8 1.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 20.0 110.686 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.5 p -156.71 90.15 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.19 0.519 . . . . 20.0 110.989 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -84.02 81.93 8.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.087 0.47 . . . . 20.0 109.831 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.478 -0.773 . . . . 20.0 109.833 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.979 0.418 . . . . 20.0 110.784 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -97.04 151.33 19.84 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.676 -0.49 . . . . 20.0 109.676 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.627 ' HE1' ' CE2' ' A' ' -5' ' ' TYR . 96.5 m-85 -134.98 74.39 1.52 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.609 -178.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm 71.88 148.5 0.09 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.963 -1.017 . . . . 20.0 111.523 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -80.16 91.15 5.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.733 -0.667 . . . . 20.0 110.147 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -91.35 -58.83 2.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.764 -0.653 . . . . 20.0 109.83 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 36.8 t70 59.1 91.75 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.271 -0.877 . . . . 20.0 110.792 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -55.37 -33.5 63.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.3 -0.864 . . . . 20.0 112.87 -173.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -72.44 1.25 8.32 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.713 0.634 . . . . 20.0 112.713 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -61.11 146.5 47.19 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.543 -0.54 . . . . 20.0 109.543 176.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -81.18 73.01 8.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.139 0.422 . . . . 20.0 112.139 -172.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.97 20.76 4.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.201 0.525 . . . . 20.0 110.256 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.2 tp -87.54 82.11 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.451 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.487 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 19.5 m -138.53 61.5 24.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.703 176.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.552 ' HB2' ' SD ' ' A' ' 8' ' ' MET . 1.9 Cg_endo -80.88 -73.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.878 2.385 . . . . 20.0 112.251 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.552 ' SD ' ' HB2' ' A' ' 7' ' ' PRO . 2.0 mpt? -92.07 -37.94 12.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 20.0 109.987 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.22 132.85 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.079 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -133.8 73.36 1.5 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.409 0.623 . . . . 20.0 109.449 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -83.09 154.39 24.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.326 -0.852 . . . . 20.0 110.081 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.616 ' HE1' ' CE2' ' A' ' 12' ' ' PHE . 67.2 m-85 -95.82 54.95 1.56 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.339 0.59 . . . . 20.0 110.04 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -76.02 -31.46 58.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.235 -0.893 . . . . 20.0 109.839 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -81.48 95.38 7.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.68 -0.691 . . . . 20.0 110.565 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.4 mt -94.49 114.72 31.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.715 -0.675 . . . . 20.0 110.199 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.22 -32.19 73.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.282 -0.417 . . . . 20.0 110.279 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.595 ' O ' ' HB2' ' A' ' 21' ' ' TYR . 25.9 mp0 -62.3 -28.65 69.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 20.0 110.434 176.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -79.93 -43.43 22.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.991 -0.55 . . . . 20.0 110.159 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.34 -45.72 80.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 20.0 110.527 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 m -81.24 -12.83 59.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 20.0 111.209 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.63 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 35.9 t80 -73.31 -17.1 61.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.57 -0.286 . . . . 20.0 110.93 -176.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.525 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 53.4 m-80 -54.44 -31.69 55.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 20.0 110.731 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.08 -35.83 82.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 20.0 111.058 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -76.01 -31.08 58.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.928 0.394 . . . . 20.0 110.375 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.22 -36.91 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.977 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.525 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 29.7 mmm180 -63.68 -35.36 80.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.626 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.43 -21.33 42.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.224 -0.444 . . . . 20.0 111.243 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -71.21 -14.23 62.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.024 -0.535 . . . . 20.0 111.378 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.0 p -56.57 -39.19 60.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.691 -0.231 . . . . 20.0 111.204 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.76 3.0 0.01 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.287 -0.415 . . . . 20.0 111.909 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 m 57.7 28.26 15.55 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.972 0.892 . . . . 20.0 110.045 -173.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.6 t -168.69 153.25 5.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.919 -1.037 . . . . 20.0 108.657 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.34 118.77 37.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.48 0.181 . . . . 20.0 110.79 -176.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 55.1 63.59 2.07 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.897 0.748 . . . . 20.0 112.101 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -70.84 121.59 84.36 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.092 -0.503 . . . . 20.0 109.706 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.56 -34.48 98.86 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.9 2.4 . . . . 20.0 112.227 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? 47.92 80.32 0.3 Allowed Pre-proline 0 N--CA 1.466 0.336 0 O-C-N 123.878 0.736 . . . . 20.0 111.328 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -58.49 128.17 27.39 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.353 2.035 . . . . 20.0 111.852 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.55 132.56 50.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.874 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.9 pt -96.43 144.77 28.41 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.771 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -64.53 158.06 51.81 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.86 2.374 . . . . 20.0 111.317 177.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -66.42 -16.39 64.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.885 -0.598 . . . . 20.0 111.796 -173.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.44 -38.07 86.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 20.0 110.331 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -68.72 -43.68 75.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.012 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.25 -42.73 94.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 20.0 110.544 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.48 -42.57 98.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.986 -0.552 . . . . 20.0 110.576 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -67.16 -41.34 86.18 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 120.865 -0.334 . . . . 20.0 110.134 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -55.07 -46.11 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.994 -0.548 . . . . 20.0 110.131 -179.109 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.5 mmt -66.12 -39.54 89.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.203 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.02 97.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.106 0.479 . . . . 20.0 110.808 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -76.75 -29.21 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.57 -0.741 . . . . 20.0 110.299 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -75.93 -46.74 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.19 -0.913 . . . . 20.0 111.573 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -71.5 -9.88 58.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 20.0 111.466 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.08 67.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.457 -0.338 . . . . 20.0 110.764 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HG2' ' HB3' ' A' ' 59' ' ' GLU . 33.2 mtmm -67.98 -19.57 64.96 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.131 -0.486 . . . . 20.0 111.147 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 42.5 ttm -67.77 -30.42 69.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.214 0.53 . . . . 20.0 109.863 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -96.56 -59.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.607 -0.724 . . . . 20.0 109.985 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 tptm 176.44 113.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.638 -0.71 . . . . 20.0 109.866 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.438 ' HB3' ' HG2' ' A' ' 55' ' ' LYS . 9.8 tp10 -146.01 152.42 39.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.68 -0.489 . . . . 20.0 109.68 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -70.46 149.28 47.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.545 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.0 p -76.51 75.42 3.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.115 -0.493 . . . . 20.0 109.883 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -67.65 100.43 0.89 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.845 -0.616 . . . . 20.0 109.903 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.166 -0.921 . . . . 20.0 109.681 -178.762 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.041 0.448 . . . . 20.0 109.992 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -83.79 -36.91 23.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.489 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -93.11 130.92 38.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.004 -0.543 . . . . 20.0 109.922 176.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -118.76 94.12 4.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.217 0.532 . . . . 20.0 111.452 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.33 -1.72 15.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.801 -0.636 . . . . 20.0 109.697 173.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -130.48 33.57 4.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.388 -0.824 . . . . 20.0 109.729 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -40.8 114.98 0.52 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.657 -0.701 . . . . 20.0 112.569 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.34 -3.83 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.8 -0.637 . . . . 20.0 110.024 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -80.6 -26.67 37.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.688 -0.687 . . . . 20.0 109.984 173.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -80.15 94.36 5.99 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.149 -0.686 . . . . 20.0 109.149 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -128.43 162.21 27.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.169 -0.469 . . . . 20.0 109.847 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.41 41.53 22.74 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.403 0.62 . . . . 20.0 110.467 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.565 HD21 ' H ' ' A' ' 5' ' ' LEU . 1.7 pt? -98.94 46.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.666 0.746 . . . . 20.0 109.699 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -106.38 126.63 29.98 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.231 -0.895 . . . . 20.0 110.619 -177.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -63.59 158.8 43.92 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.955 2.437 . . . . 20.0 112.061 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.8 ttt -78.11 72.69 4.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.403 0.62 . . . . 20.0 110.346 -177.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 m -133.65 145.33 33.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.404 -0.816 . . . . 20.0 109.561 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 p -143.41 122.9 13.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.525 0.202 . . . . 20.0 110.797 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -83.67 85.91 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.023 0.44 . . . . 20.0 110.564 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.66 ' HE1' ' CE2' ' A' ' 12' ' ' PHE . 27.5 p90 -85.07 54.3 3.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.748 0.785 . . . . 20.0 110.461 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -89.31 40.76 1.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.519 -0.764 . . . . 20.0 110.902 -175.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.4 p -98.99 76.87 2.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.317 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.508 HD13 ' H ' ' A' ' 15' ' ' ILE . 4.4 mp -71.5 104.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.845 -0.616 . . . . 20.0 109.799 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -37.54 87.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.716 -0.675 . . . . 20.0 111.001 -175.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.94 -45.54 94.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.421 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' H ' HG21 ' A' ' 15' ' ' ILE . 31.6 tp10 -64.93 -43.15 93.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.67 -0.696 . . . . 20.0 110.265 -177.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -74.29 -15.15 60.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 20.0 111.326 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.8 m -90.2 -40.97 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.949 0.404 . . . . 20.0 110.067 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -73.4 -35.49 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.872 -0.603 . . . . 20.0 111.795 -174.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -62.66 -32.3 73.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.051 0.453 . . . . 20.0 109.969 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -67.03 -36.67 82.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -73.03 -35.52 66.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.78 -0.645 . . . . 20.0 109.975 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.98 -38.26 90.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.834 -0.621 . . . . 20.0 110.264 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.66 -35.5 67.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.465 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.45 73.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.992 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -63.95 -27.31 69.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.798 -0.637 . . . . 20.0 110.039 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.0 t -89.02 -56.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.804 -0.634 . . . . 20.0 110.531 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.11 94.59 2.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.949 -0.569 . . . . 20.0 110.549 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -82.54 -24.73 33.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.436 0.636 . . . . 20.0 110.104 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 m 55.26 39.6 31.38 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 114.922 -1.035 . . . . 20.0 111.06 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.5 tp -97.65 -28.23 14.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.892 -0.595 . . . . 20.0 110.354 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -142.3 55.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.428 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.53 ' OD2' ' HB3' ' A' ' 37' ' ' ARG . 8.7 p-10 -99.04 124.38 45.61 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.616 -0.72 . . . . 20.0 110.469 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -76.43 61.81 6.84 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.632 2.221 . . . . 20.0 111.031 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.53 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . 7.6 ttp180 -121.78 94.38 48.34 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.144 -0.934 . . . . 20.0 110.353 -176.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -81.1 52.97 4.55 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.64 2.227 . . . . 20.0 112.071 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -141.65 42.12 1.72 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.764 -0.653 . . . . 20.0 110.644 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.86 117.25 59.58 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.618 -0.719 . . . . 20.0 109.684 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -59.78 119.84 7.3 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.621 2.214 . . . . 20.0 112.661 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -70.11 -19.66 63.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 20.0 109.892 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.66 -25.01 67.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.606 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' OE1' ' HD2' ' A' ' 47' ' ' ARG . 8.2 tp10 -64.32 -35.83 82.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.171 0.51 . . . . 20.0 110.088 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.53 -43.91 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 20.0 110.399 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.2 -35.74 81.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 20.0 109.957 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.417 ' HD2' ' OE1' ' A' ' 44' ' ' GLU . 44.2 ttm180 -64.29 -37.43 87.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.526 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -71.21 -32.52 68.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.753 0.311 . . . . 20.0 110.501 178.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.4 mmt -70.38 -25.47 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.524 0.678 . . . . 20.0 109.776 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.27 -6.37 56.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.078 -0.965 . . . . 20.0 111.555 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -47.36 -32.78 5.18 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.508 0.559 . . . . 20.0 112.508 -174.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -58.92 -52.74 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 20.0 111.043 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.621 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 96.7 m-85 -77.24 -25.05 51.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.394 0.616 . . . . 20.0 110.236 -179.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.579 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -68.96 -15.2 63.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.45 -0.796 . . . . 20.0 111.485 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -63.47 -27.84 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.068 0.461 . . . . 20.0 109.84 175.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.486 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.5 mmt -90.9 10.56 25.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.578 -0.737 . . . . 20.0 111.759 -176.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.579 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 7.9 ptp85 -62.38 -32.83 73.7 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.281 -0.262 . . . . 20.0 111.481 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.604 ' HA ' ' O ' ' A' ' 61' ' ' SER . 25.3 pttm -105.35 66.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.459 0.647 . . . . 20.0 111.416 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 56' ' ' MET . 44.1 mt-10 -80.43 -52.45 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.817 -0.629 . . . . 20.0 109.381 174.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -121.71 -53.24 1.99 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.537 -0.756 . . . . 20.0 109.185 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.604 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 26.1 t -87.51 147.37 25.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.485 -0.78 . . . . 20.0 109.768 177.539 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -86.35 -0.24 55.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.524 0.678 . . . . 20.0 109.967 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.129 -0.941 . . . . 20.0 109.127 173.876 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 16.7 ttt . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.931 0.396 . . . . 20.0 110.529 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -111.39 139.26 46.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 20.0 109.764 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -119.43 157.54 28.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.996 0.427 . . . . 20.0 111.034 -175.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -162.72 -19.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.732 -0.667 . . . . 20.0 110.708 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -165.25 59.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.863 -1.162 . . . . 20.0 107.863 -177.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -121.1 30.09 7.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.934 -1.03 . . . . 20.0 111.467 -165.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.04 109.23 3.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.433 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -91.07 0.87 57.44 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.495 0.664 . . . . 20.0 110.561 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -88.01 -12.8 43.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.759 -0.655 . . . . 20.0 112.011 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.508 ' O ' ' HB2' ' A' ' 3' ' ' ARG . 9.6 p30 -93.59 178.26 5.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.101 -0.333 . . . . 20.0 110.101 176.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.508 ' HB2' ' O ' ' A' ' 2' ' ' ASN . 5.4 mpt_? 74.71 141.36 0.07 Allowed 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.729 0.643 . . . . 20.0 110.364 -172.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.3 31.34 20.74 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.109 -0.496 . . . . 20.0 110.87 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.4 tp -123.11 76.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.412 0.625 . . . . 20.0 109.887 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -102.52 114.79 65.19 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.64 -0.709 . . . . 20.0 110.018 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.449 ' O ' ' HB2' ' A' ' 8' ' ' MET . 40.8 Cg_exo -55.65 137.27 77.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.347 2.031 . . . . 20.0 110.787 175.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 64.0 mtm 69.78 75.04 0.23 Allowed 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.866 0.729 . . . . 20.0 109.734 -172.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.6 m -59.21 137.26 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.653 -0.703 . . . . 20.0 111.362 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.2 m 63.63 23.44 13.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.507 -0.769 . . . . 20.0 111.021 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -142.8 49.83 1.47 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 20.0 110.336 179.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.643 ' HE1' ' CE2' ' A' ' 12' ' ' PHE . 57.9 t80 -79.44 136.9 37.06 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.516 -0.55 . . . . 20.0 109.516 177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 58.48 73.1 0.49 Allowed 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.675 0.61 . . . . 20.0 110.384 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -120.82 77.47 1.29 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.416 0.627 . . . . 20.0 110.893 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.34 112.14 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.468 -0.787 . . . . 20.0 110.498 -177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -66.04 -35.54 80.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.697 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -56.48 -35.49 68.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 20.0 110.813 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -72.68 -34.77 67.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.135 0.493 . . . . 20.0 110.632 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.418 HD21 ' N ' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -87.77 -25.7 23.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.884 -0.598 . . . . 20.0 111.061 -177.29 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.3 m -90.07 -11.59 40.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.417 -0.356 . . . . 20.0 111.257 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.39 -35.0 69.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.444 -0.343 . . . . 20.0 110.994 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.575 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 21.7 p30 -62.87 -27.91 69.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.491 -0.322 . . . . 20.0 111.272 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.477 ' OE1' ' HD3' ' A' ' 26' ' ' ARG . 7.8 tp10 -74.65 -40.28 61.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.143 0.497 . . . . 20.0 109.722 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -67.37 -26.71 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.248 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.489 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.2 tm? -71.0 -37.69 72.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.811 -0.632 . . . . 20.0 109.626 177.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.575 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 63.3 mtp180 -66.01 -19.02 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.058 0.456 . . . . 20.0 110.69 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.85 -14.19 62.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.722 -0.672 . . . . 20.0 111.462 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 57.2 pttt -76.36 -19.2 58.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.019 0.438 . . . . 20.0 110.138 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -82.15 -37.87 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.437 0.637 . . . . 20.0 109.708 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.54 167.69 17.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.26 -0.882 . . . . 20.0 109.361 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -80.28 54.91 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.215 1.007 . . . . 20.0 110.529 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.7 m -121.91 55.12 1.13 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.182 -0.917 . . . . 20.0 109.33 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -95.31 129.98 42.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.444 -0.798 . . . . 20.0 110.152 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.61 91.58 6.98 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.838 -0.43 . . . . 20.0 109.838 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -59.96 149.37 73.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.598 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.88 78.06 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.963 2.442 . . . . 20.0 112.29 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -119.56 127.56 26.37 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 115.555 -0.748 . . . . 20.0 109.26 177.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -77.87 48.08 2.53 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.81 2.34 . . . . 20.0 112.447 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -166.41 93.56 0.5 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.439 -0.8 . . . . 20.0 110.355 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.7 mt -101.03 116.11 64.4 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 115.958 -0.564 . . . . 20.0 109.571 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.54 119.67 6.81 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.265 1.977 . . . . 20.0 111.825 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.698 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 12.7 p-80 -66.01 -27.35 68.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.162 -178.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -60.73 -26.92 67.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.118 -0.492 . . . . 20.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.86 -36.08 79.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.722 -0.672 . . . . 20.0 110.138 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 t -91.29 -27.63 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.401 -0.818 . . . . 20.0 111.388 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.698 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 34.5 mm-40 -50.56 -34.55 26.1 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.04 -0.527 . . . . 20.0 112.198 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -57.08 -30.83 64.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 20.0 111.159 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -91.23 -39.98 11.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.168 0.508 . . . . 20.0 110.186 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.6 mmt -64.72 -40.56 95.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.775 -0.648 . . . . 20.0 111.381 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.26 -28.84 68.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.946 0.403 . . . . 20.0 111.164 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -80.41 -46.01 16.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.649 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.478 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 4.8 mmp_? -68.4 -45.49 72.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.068 -0.514 . . . . 20.0 111.156 -177.03 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.554 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 23.7 m-85 -72.36 -19.69 61.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.183 -0.462 . . . . 20.0 111.36 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.67 78.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.094 0.473 . . . . 20.0 110.479 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.88 -28.49 62.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.664 -0.698 . . . . 20.0 110.751 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 63.0 mtt -91.42 6.09 46.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.78 -0.646 . . . . 20.0 111.505 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 63.9 mtp180 -87.79 -21.04 25.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.04 0.385 . . . . 20.0 112.04 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -160.81 142.39 12.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.84 0.352 . . . . 20.0 110.953 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -92.52 153.09 19.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.622 -0.717 . . . . 20.0 110.355 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.501 ' HD2' ' N ' ' A' ' 60' ' ' ARG . 4.5 mpt_? -92.43 155.77 17.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 20.0 109.674 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 p -77.64 56.09 1.42 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.337 0.589 . . . . 20.0 110.413 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -86.67 107.22 18.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.671 -0.695 . . . . 20.0 110.316 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.367 -0.825 . . . . 20.0 109.194 -179.594 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.634 0.254 . . . . 20.0 110.717 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -138.18 99.33 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.813 0.34 . . . . 20.0 110.531 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.612 ' HE2' ' CE1' ' A' ' -5' ' ' TYR . 76.9 m-85 -131.97 89.35 2.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.328 -0.396 . . . . 20.0 110.022 178.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 62.6 tttp 57.68 84.41 0.1 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.862 0.726 . . . . 20.0 110.208 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.29 118.06 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.679 -0.692 . . . . 20.0 112.487 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -114.88 -21.9 9.89 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.096 -0.956 . . . . 20.0 108.569 172.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.27 -53.39 49.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.557 -1.201 . . . . 20.0 111.789 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.76 -30.3 51.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.094 0.473 . . . . 20.0 110.503 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.577 ' HZ2' ' HB2' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -61.53 -37.76 84.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.604 -0.725 . . . . 20.0 110.894 179.269 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 66.33 160.47 0.14 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.322 0.582 . . . . 20.0 111.577 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -126.84 141.24 51.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.51 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.5 -79.75 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.993 0.808 . . . . 20.0 112.284 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.0 mt -128.17 122.71 32.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.887 0.375 . . . . 20.0 110.958 -175.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -88.91 154.94 50.15 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.126 -0.694 . . . . 20.0 109.126 174.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.25 50.91 0.99 Allowed 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.17 2.58 . . . . 20.0 112.619 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -170.48 55.93 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.551 -0.749 . . . . 20.0 109.388 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.9 m -89.48 137.09 22.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 20.0 111.273 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 t 62.95 43.21 6.89 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.566 -0.743 . . . . 20.0 111.144 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.65 101.58 4.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 20.0 110.082 176.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -81.73 76.18 8.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.308 -0.405 . . . . 20.0 111.258 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.94 -52.77 25.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.77 -0.826 . . . . 20.0 108.77 174.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.6 p 44.72 57.62 4.42 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.07 -0.968 . . . . 20.0 112.525 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.05 -30.47 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.322 -0.399 . . . . 20.0 110.886 -175.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.17 -44.04 89.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.256 0.55 . . . . 20.0 110.001 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -68.35 -40.48 81.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.55 -0.75 . . . . 20.0 110.217 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -69.63 -25.9 64.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.873 -0.603 . . . . 20.0 111.488 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -38.84 90.27 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.927 -0.309 . . . . 20.0 110.175 175.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.6 m -79.57 -33.27 41.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.06 0.457 . . . . 20.0 110.366 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -66.48 -34.93 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 20.0 109.775 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.08 -37.45 77.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.446 -0.797 . . . . 20.0 111.503 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.41 -40.77 96.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.132 0.491 . . . . 20.0 110.193 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -71.61 -34.75 70.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 20.0 109.934 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.0 tp -70.09 -11.71 61.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.441 -0.799 . . . . 20.0 111.094 -178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.529 ' O ' HG13 ' A' ' 29' ' ' VAL . 56.8 ttt180 -67.53 -18.09 64.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.108 0.48 . . . . 20.0 110.709 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.46 -23.33 50.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.17 0.51 . . . . 20.0 110.591 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.589 ' O ' HG23 ' A' ' 31' ' ' THR . 56.8 tttm -76.53 -24.31 53.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.716 -0.675 . . . . 20.0 111.013 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 26' ' ' ARG . 9.9 p -80.39 -9.1 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.35 0.595 . . . . 20.0 110.275 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.0 7.23 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.787 -0.642 . . . . 20.0 111.436 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 28' ' ' LYS . 14.2 t -82.23 -167.23 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.311 -178.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -56.54 138.64 51.57 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 110.046 -0.354 . . . . 20.0 110.046 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.41 HD11 ' C ' ' A' ' 33' ' ' LEU . 3.3 tm? -63.61 120.25 11.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.137 0.494 . . . . 20.0 110.881 -173.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' O ' ' HD3' ' A' ' 36' ' ' PRO . . . -137.37 141.4 41.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.465 -0.789 . . . . 20.0 109.272 175.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -112.77 92.67 21.16 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.726 0.298 . . . . 20.0 111.185 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.633 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 7.3 Cg_exo -72.85 124.45 9.69 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.717 2.278 . . . . 20.0 110.504 174.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.633 ' HG2' ' O ' ' A' ' 36' ' ' PRO . 34.4 ptt180 55.0 116.13 0.01 OUTLIER Pre-proline 0 N--CA 1.477 0.88 0 O-C-N 124.616 1.197 . . . . 20.0 111.712 -175.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.99 1.89 4.17 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.638 2.225 . . . . 20.0 113.693 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.63 40.13 13.69 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.848 -0.615 . . . . 20.0 111.229 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 pt -86.36 131.89 44.74 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.757 -0.656 . . . . 20.0 111.126 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.18 118.97 5.91 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.711 2.274 . . . . 20.0 111.458 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -85.52 -38.29 18.71 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.004 -0.278 . . . . 20.0 111.669 -172.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.657 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 15.0 t70 -62.65 -47.3 84.3 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.623 0.249 . . . . 20.0 110.836 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 17.6 tp10 -56.19 -46.39 79.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.87 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.11 -42.9 85.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.097 -0.501 . . . . 20.0 111.02 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -59.73 -39.95 86.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.681 . . . . 20.0 111.494 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.657 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 22.2 mmt180 -73.15 -29.95 63.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.794 0.33 . . . . 20.0 110.607 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 92.7 mtt180 -72.56 -42.66 64.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.051 0.453 . . . . 20.0 110.078 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 89.8 mmm -67.71 -27.7 67.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.777 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.89 -41.99 79.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 20.0 111.353 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.06 -28.5 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 20.0 110.621 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -75.94 -44.64 39.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.748 -0.66 . . . . 20.0 109.735 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -67.81 -23.3 65.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.489 -0.778 . . . . 20.0 110.88 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.54 71.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 20.0 111.09 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -84.49 -19.65 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.117 0.484 . . . . 20.0 110.568 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.2 mtp -76.21 -10.54 59.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.969 -0.559 . . . . 20.0 110.351 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -72.28 -6.25 41.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.627 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 73.16 170.08 0.31 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.529 -0.76 . . . . 20.0 111.758 174.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.17 119.92 39.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.495 -0.775 . . . . 20.0 110.724 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -65.83 -39.22 90.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 20.0 110.271 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.3 t -79.57 111.83 16.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.856 -0.611 . . . . 20.0 109.751 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -92.34 120.21 32.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.124 -0.325 . . . . 20.0 110.124 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.511 -0.757 . . . . 20.0 110.514 -178.518 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 51.4 ttm . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.781 0.324 . . . . 20.0 110.341 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -84.11 66.56 9.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.443 0.639 . . . . 20.0 110.622 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.637 ' HD2' ' CD1' ' A' ' -5' ' ' TYR . 53.1 m-85 -148.8 105.97 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.525 -0.761 . . . . 20.0 109.914 178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -99.75 -10.78 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.77 -0.456 . . . . 20.0 109.77 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 63.99 -179.69 0.16 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.129 -0.941 . . . . 20.0 111.114 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -97.4 -37.06 10.16 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.773 -0.825 . . . . 20.0 108.773 172.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 30.3 t70 55.71 92.25 0.03 OUTLIER 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.039 -0.982 . . . . 20.0 112.117 173.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -83.87 -4.32 58.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.146 -0.933 . . . . 20.0 110.696 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.84 -16.84 49.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.969 -0.56 . . . . 20.0 110.651 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.456 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 15.0 m120 64.91 53.9 1.37 Allowed 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.157 -0.929 . . . . 20.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -53.15 -44.24 67.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.659 -0.7 . . . . 20.0 111.565 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.17 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 20.0 111.564 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.456 ' HB2' ' HB3' ' A' ' 2' ' ' ASN . 88.0 mt -105.09 15.29 27.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.095 0.474 . . . . 20.0 110.472 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 m -129.28 90.74 43.89 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.694 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -68.36 -22.04 40.14 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.56 2.173 . . . . 20.0 111.29 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.2 mtt 71.37 150.21 0.09 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.136 -0.938 . . . . 20.0 112.184 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -157.14 133.03 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.444 -0.798 . . . . 20.0 109.889 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.1 m -152.63 137.96 17.53 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.959 -0.386 . . . . 20.0 109.959 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.0 mp0 -70.55 112.78 7.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.241 -0.436 . . . . 20.0 110.421 -176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.641 ' HD2' ' CD1' ' A' ' 12' ' ' PHE . 38.7 t80 64.85 174.36 0.2 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 123.752 0.658 . . . . 20.0 110.742 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.655 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 9.0 pt-20 66.89 -45.09 0.45 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.592 1.557 . . . . 20.0 113.305 174.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.5 p -127.82 71.78 1.38 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.313 0.578 . . . . 20.0 110.957 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -107.64 124.74 63.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.514 -0.766 . . . . 20.0 109.63 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.64 -47.82 83.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.439 -0.801 . . . . 20.0 112.265 -176.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -68.96 -28.1 66.32 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.729 -0.388 . . . . 20.0 110.819 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -70.65 -43.09 69.89 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.086 -0.709 . . . . 20.0 109.086 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.45 -24.85 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 20.0 110.061 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 m -71.44 -27.43 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.824 -0.625 . . . . 20.0 110.401 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -77.66 -23.29 49.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.536 -0.302 . . . . 20.0 110.654 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.43 -36.67 83.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.552 0.692 . . . . 20.0 109.382 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.7 -41.5 83.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.995 -1.002 . . . . 20.0 110.437 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.471 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 92.0 m95 -68.72 -30.84 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.702 176.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 51.0 tp -65.65 -43.32 89.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.367 -0.378 . . . . 20.0 110.229 177.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -70.56 -25.84 63.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.949 0.404 . . . . 20.0 110.461 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.62 -16.65 60.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 20.0 111.1 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.482 ' HA ' ' OG1' ' A' ' 31' ' ' THR . 67.3 mttm -69.36 -10.61 58.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 20.0 111.255 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.54 -33.59 53.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.158 0.504 . . . . 20.0 110.426 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.48 63.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 20.0 110.896 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.482 ' OG1' ' HA ' ' A' ' 28' ' ' LYS . 3.6 m -82.96 68.44 9.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.226 0.536 . . . . 20.0 110.604 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 m -90.73 76.83 6.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.63 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 pp -101.77 8.9 41.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.244 0.545 . . . . 20.0 110.718 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 64.19 64.13 0.75 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 114.68 -1.146 . . . . 20.0 111.939 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -108.06 110.68 62.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 121.293 0.568 . . . . 20.0 110.12 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.88 -9.91 14.25 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.511 2.14 . . . . 20.0 112.454 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -125.48 126.35 25.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.384 -0.371 . . . . 20.0 110.749 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.61 91.78 0.78 Allowed 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.393 2.062 . . . . 20.0 110.945 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.3 138.49 37.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.877 -0.602 . . . . 20.0 110.865 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.5 mt -74.0 118.8 72.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.949 -0.568 . . . . 20.0 109.555 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.63 118.93 5.83 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.233 1.956 . . . . 20.0 111.726 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.621 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 62.8 m170 -71.69 -25.09 61.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 20.0 110.356 -178.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -62.72 -29.48 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.517 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.35 -42.24 79.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.798 -0.637 . . . . 20.0 109.752 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.15 -35.86 73.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.194 -0.912 . . . . 20.0 110.596 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 34.7 mt-10 -57.36 -32.77 67.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 20.0 111.684 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -71.14 -25.89 62.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.021 0.439 . . . . 20.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.554 ' CZ ' ' HA ' ' A' ' 48' ' ' ARG . 3.3 mmp_? -89.96 -41.27 11.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.414 0.625 . . . . 20.0 110.154 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.585 ' SD ' ' HD3' ' A' ' 52' ' ' ARG . 39.4 tpp -67.14 -18.81 65.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.238 -0.892 . . . . 20.0 110.338 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.47 -38.49 44.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.372 -0.831 . . . . 20.0 111.76 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.7 -37.85 85.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 20.0 111.054 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.585 ' HD3' ' SD ' ' A' ' 49' ' ' MET . 53.4 mtp180 -75.72 -39.42 57.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 20.0 110.329 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -62.33 -44.63 96.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.36 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.95 99.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.17 -0.468 . . . . 20.0 111.398 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -68.01 -33.52 74.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.733 0.301 . . . . 20.0 111.226 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 56.2 ttp -76.47 -38.96 54.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.236 0.541 . . . . 20.0 110.301 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -72.06 -20.41 61.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.426 -0.806 . . . . 20.0 110.348 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 36.9 mtmm 59.43 43.64 16.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.372 -1.285 . . . . 20.0 112.235 172.412 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 46.6 mt-10 74.72 114.58 0.06 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 124.124 0.89 . . . . 20.0 111.645 178.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -69.81 -25.67 63.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.689 . . . . 20.0 111.225 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.6 p -121.61 40.71 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.131 0.491 . . . . 20.0 110.747 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.406 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 63.9 tttp -60.58 134.5 57.14 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.567 -0.742 . . . . 20.0 111.348 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.493 -0.765 . . . . 20.0 109.863 176.054 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 92.5 mtp . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.517 0.199 . . . . 20.0 110.708 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 54.75 73.55 0.4 Allowed 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.066 -0.516 . . . . 20.0 111.742 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -79.24 86.99 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.954 0.407 . . . . 20.0 110.192 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -122.64 130.36 52.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.091 -0.504 . . . . 20.0 110.254 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -165.15 -52.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.964 0.411 . . . . 20.0 110.458 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -92.43 -65.69 0.98 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.927 -0.579 . . . . 20.0 109.763 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . 0.4 ' HA ' ' OD1' ' A' ' 2' ' ' ASN . 1.0 OUTLIER 66.42 -1.42 1.25 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.935 -1.03 . . . . 20.0 112.779 172.783 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -91.79 -39.65 11.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.254 0.55 . . . . 20.0 110.396 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -85.67 -5.61 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.738 -0.665 . . . . 20.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.4 ' OD1' ' HA ' ' A' ' -1' ' ' ASP . 7.1 p30 -130.54 -159.54 0.97 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 20.0 109.827 177.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 67.17 42.52 2.29 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.572 0.701 . . . . 20.0 109.19 -174.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.43 166.48 21.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.957 -1.02 . . . . 20.0 111.111 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 58.19 42.12 22.55 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.308 0.575 . . . . 20.0 110.422 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -120.79 122.33 28.51 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.535 -0.757 . . . . 20.0 109.612 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.18 -30.45 64.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.626 2.217 . . . . 20.0 111.996 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 ttt 50.69 57.97 6.04 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.618 0.723 . . . . 20.0 110.554 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.7 m -120.95 174.19 5.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.36 -0.837 . . . . 20.0 110.601 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 m 62.23 47.53 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.596 0.56 . . . . 20.0 110.835 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -85.72 73.11 10.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.849 0.833 . . . . 20.0 109.933 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -82.13 136.25 35.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.018 -0.992 . . . . 20.0 110.638 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' C ' ' HG1' ' A' ' 14' ' ' THR . 6.3 tp10 62.95 -92.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.784 0.678 . . . . 20.0 110.856 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.408 ' HG1' ' C ' ' A' ' 13' ' ' GLU . 73.7 p 49.62 -159.52 0.07 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.398 0.679 . . . . 20.0 111.568 -179.262 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -91.56 -24.43 5.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.117 -0.697 . . . . 20.0 109.117 171.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -51.29 -45.66 62.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.989 -1.005 . . . . 20.0 112.362 -174.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -59.55 -44.96 93.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 20.0 110.783 -175.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -78.56 -37.9 41.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 20.0 110.947 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -64.27 -40.89 96.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.297 -0.411 . . . . 20.0 110.677 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.3 p -72.64 -21.35 61.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.582 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -72.32 -36.86 68.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.524 -0.547 . . . . 20.0 109.524 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -66.1 -39.08 89.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 20.0 109.837 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.72 -36.39 83.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 20.0 109.686 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -67.75 -32.92 73.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 20.0 110.61 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.54 -30.03 69.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.233 0.54 . . . . 20.0 109.999 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -79.99 -24.92 40.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.757 -0.656 . . . . 20.0 110.25 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.26 -15.51 60.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.201 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -72.47 -31.74 65.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.927 -0.768 . . . . 20.0 108.927 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.5 t -74.5 -50.24 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.234 -0.893 . . . . 20.0 110.216 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.64 87.8 2.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.606 . . . . 20.0 109.67 177.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.0 m -82.19 -12.14 58.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.926 -0.579 . . . . 20.0 111.54 -172.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -101.63 33.21 3.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.524 0.678 . . . . 20.0 109.682 177.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.99 -36.02 82.6 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.301 -0.863 . . . . 20.0 109.515 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 67.7 -78.59 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.16 -0.927 . . . . 20.0 112.244 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 37' ' ' ARG . 19.3 m-20 -124.22 135.59 26.61 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.978 -0.379 . . . . 20.0 109.978 -176.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.95 10.93 1.26 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.738 2.292 . . . . 20.0 112.567 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' H ' ' C ' ' A' ' 35' ' ' ASP . 21.6 ttm180 70.29 97.66 0.04 OUTLIER Pre-proline 0 N--CA 1.461 0.099 0 O-C-N 124.253 0.97 . . . . 20.0 110.694 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -75.69 42.47 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.964 2.442 . . . . 20.0 112.115 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 37' ' ' ARG . . . -170.38 76.49 0.08 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.844 -1.071 . . . . 20.0 108.716 -178.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.5 mp -78.2 119.15 76.23 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.78 -0.645 . . . . 20.0 110.121 -176.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.471 ' O ' HG21 ' A' ' 45' ' ' VAL . 30.5 Cg_endo -65.48 148.38 87.73 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.788 2.325 . . . . 20.0 111.74 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -64.93 -23.24 67.16 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.936 -0.574 . . . . 20.0 112.332 -170.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.43 -41.02 80.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 20.0 110.269 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -79.91 -32.36 40.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.753 -0.658 . . . . 20.0 110.727 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 41' ' ' PRO . 82.0 t -55.45 -47.09 78.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.883 0.373 . . . . 20.0 110.258 176.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.75 -45.2 92.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.684 -0.689 . . . . 20.0 110.489 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -60.93 -45.28 95.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.955 -0.566 . . . . 20.0 110.231 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -64.37 -37.5 87.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.029 -0.532 . . . . 20.0 111.057 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 mmt -72.69 -34.57 67.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.539 -0.3 . . . . 20.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.74 92.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.096 0.474 . . . . 20.0 109.924 174.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.515 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 21.9 mm-40 -68.03 -30.0 69.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.597 -0.729 . . . . 20.0 110.666 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 56' ' ' MET . 9.9 tpt180 -61.17 -52.63 64.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.659 . . . . 20.0 110.266 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.408 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 82.2 t80 -70.27 -30.07 67.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.889 -177.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.81 -66.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.279 -0.419 . . . . 20.0 112.059 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 20.1 pttm -74.76 -43.78 53.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 20.0 111.514 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 66.5 mtt -83.69 12.04 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.48 -0.327 . . . . 20.0 111.332 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 25.5 ttm180 -49.96 -40.47 44.01 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.454 0.645 . . . . 20.0 109.49 172.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.429 ' HB3' ' OXT' ' A' ' 63' ' ' GLN . 99.3 mttt -131.19 -37.53 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.177 -0.92 . . . . 20.0 110.616 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -171.32 -79.26 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 110.341 -0.244 . . . . 20.0 110.341 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -124.21 -43.46 2.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.061 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.3 t -163.14 97.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.971 -0.291 . . . . 20.0 110.962 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 51.1 75.6 0.19 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.574 0.546 . . . . 20.0 111.722 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.429 ' OXT' ' HB3' ' A' ' 58' ' ' LYS . 47.5 mt-30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.428 -0.796 . . . . 20.0 110.784 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.97 0.414 . . . . 20.0 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . 0.454 ' CG ' ' H ' ' A' ' -5' ' ' TYR . 1.7 p-10 -148.95 -83.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 20.0 110.927 -177.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 0.454 ' H ' ' CG ' ' A' ' -6' ' ' ASP . 97.1 m-85 -144.45 53.83 1.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.467 -0.568 . . . . 20.0 109.467 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.492 ' HE3' ' HA ' ' A' ' -4' ' ' LYS . 0.1 OUTLIER -85.87 -77.19 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.385 -0.37 . . . . 20.0 110.855 -174.802 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -119.46 62.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.172 0.511 . . . . 20.0 110.052 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 2' ' ' ASN . 20.7 m-20 -55.73 -63.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.161 -0.927 . . . . 20.0 111.853 -173.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -93.87 -16.18 24.3 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.976 -0.29 . . . . 20.0 110.879 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.81 -67.36 0.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 20.0 111.965 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -82.06 -16.53 49.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.322 0.489 . . . . 20.0 112.322 -172.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' -2' ' ' ASP . 48.8 m-80 -89.28 -65.24 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.85 -0.34 . . . . 20.0 110.727 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 66.45 177.89 0.22 Allowed 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.613 0.571 . . . . 20.0 111.302 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.75 174.54 0.25 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.826 -0.625 . . . . 20.0 110.797 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mp -113.29 70.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.174 0.512 . . . . 20.0 110.722 -177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -112.89 92.96 22.39 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.686 -0.688 . . . . 20.0 109.773 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.63 -167.27 0.42 Allowed 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.727 2.285 . . . . 20.0 112.638 -176.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 64.39 44.07 4.36 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.899 -0.591 . . . . 20.0 110.446 -177.153 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.97 101.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.55 -0.75 . . . . 20.0 109.342 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -141.26 -2.04 1.3 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.299 -0.41 . . . . 20.0 111.09 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -82.94 75.6 9.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.385 0.612 . . . . 20.0 110.309 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.659 ' HE1' ' CE2' ' A' ' 12' ' ' PHE . 99.3 m-85 -108.13 27.07 9.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.609 -0.723 . . . . 20.0 109.703 176.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.04 39.12 23.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.325 -0.852 . . . . 20.0 110.905 -176.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -133.57 42.92 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.104 -0.953 . . . . 20.0 110.406 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.3 mm -106.16 -20.84 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 20.0 110.382 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -34.0 70.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.857 -178.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -60.52 -34.29 73.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.903 -0.59 . . . . 20.0 111.273 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.27 -30.96 25.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.067 0.46 . . . . 20.0 110.376 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -68.49 -15.49 63.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.517 -0.765 . . . . 20.0 110.47 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -57.49 -12.0 2.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.79 -0.641 . . . . 20.0 112.109 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -64.05 -25.91 68.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.715 0.293 . . . . 20.0 110.383 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -65.2 -34.61 78.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.28 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.64 -48.2 82.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.583 -0.735 . . . . 20.0 110.515 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -77.23 -25.78 51.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.946 0.403 . . . . 20.0 110.333 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -63.48 -48.12 78.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.057 -0.519 . . . . 20.0 109.85 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' O ' HG13 ' A' ' 29' ' ' VAL . 39.6 ptt180 -72.52 -11.21 60.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.025 0.441 . . . . 20.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.31 -30.94 25.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.244 0.545 . . . . 20.0 110.14 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -90.8 -15.8 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.659 -0.7 . . . . 20.0 111.358 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.432 HG13 ' O ' ' A' ' 26' ' ' ARG . 5.1 p -70.86 -19.7 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.413 0.625 . . . . 20.0 109.521 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.53 67.64 1.48 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.336 -0.847 . . . . 20.0 109.599 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 32' ' ' SER . 10.3 t -103.73 35.17 2.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.669 -0.696 . . . . 20.0 110.465 -176.346 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 31' ' ' THR . 44.8 m 73.26 149.61 0.1 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.442 -0.799 . . . . 20.0 111.043 -179.25 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.3 mt -115.12 -18.61 11.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.143 -0.481 . . . . 20.0 110.607 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.94 173.15 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.088 -0.505 . . . . 20.0 110.36 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -120.06 90.97 45.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.61 -0.268 . . . . 20.0 110.319 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -76.69 -7.98 17.88 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.525 2.15 . . . . 20.0 112.189 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -131.04 149.71 74.51 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.802 -0.635 . . . . 20.0 109.958 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.65 61.67 6.21 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.816 2.344 . . . . 20.0 111.254 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.67 134.2 45.19 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.381 -0.827 . . . . 20.0 110.925 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.7 mt -67.56 118.98 62.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.609 -0.723 . . . . 20.0 109.589 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.95 119.12 6.1 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.441 2.094 . . . . 20.0 112.398 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.487 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 35.3 m170 -72.35 -27.56 62.48 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.036 -0.727 . . . . 20.0 109.036 175.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.654 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 13.6 m-20 -56.82 -32.87 66.16 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.168 -0.924 . . . . 20.0 110.706 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.58 -41.68 86.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.557 . . . . 20.0 110.913 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.0 t -70.03 -39.31 77.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.475 0.655 . . . . 20.0 110.285 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 31.1 mt-10 -74.48 -18.89 60.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.135 -0.939 . . . . 20.0 111.32 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.654 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 26.8 mmm180 -54.65 -44.23 73.04 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.689 0.28 . . . . 20.0 110.872 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -68.11 -25.2 65.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.01 -0.541 . . . . 20.0 110.704 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 61.1 mtt -81.76 -43.25 18.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.361 0.601 . . . . 20.0 109.459 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.14 -25.2 66.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.251 -0.886 . . . . 20.0 111.293 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 57.2 mm-40 -56.94 -33.87 67.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.472 . . . . 20.0 111.34 177.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.525 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 4.3 mmp_? -92.03 -42.33 10.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.739 0.305 . . . . 20.0 111.679 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -88.03 -51.29 5.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.22 0.452 . . . . 20.0 112.22 -172.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.33 -14.56 58.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.568 -174.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.548 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -90.64 -16.51 28.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.842 0.353 . . . . 20.0 110.469 175.872 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.5 tpt -89.06 -61.59 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.38 . . . . 20.0 110.842 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -105.92 -38.81 6.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.951 -0.3 . . . . 20.0 110.497 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm 74.62 -39.94 0.43 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.769 -0.65 . . . . 20.0 112.609 176.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -79.86 44.79 0.66 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.219 0.533 . . . . 20.0 110.848 -177.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -178.04 177.35 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.118 -0.697 . . . . 20.0 109.118 177.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 m 60.38 46.04 10.38 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.549 0.531 . . . . 20.0 111.457 175.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 63' ' ' GLN . 58.2 tttm -82.76 -11.79 58.02 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.985 -0.376 . . . . 20.0 109.985 178.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.401 ' HB2' ' O ' ' A' ' 62' ' ' LYS . 15.7 mm100 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.254 -0.879 . . . . 20.0 110.611 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 27.2 ptm . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.58 0.229 . . . . 20.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -156.06 -40.08 0.08 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.72 0.295 . . . . 20.0 110.679 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -149.43 33.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.929 0.871 . . . . 20.0 109.418 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' -4' ' ' LYS . 26.8 tttm -104.29 52.25 0.76 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.528 -0.915 . . . . 20.0 108.528 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.6 t70 59.94 27.16 16.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 114.973 -1.012 . . . . 20.0 109.785 -175.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -78.2 -68.33 0.65 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.766 -0.652 . . . . 20.0 110.351 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 53.91 76.83 0.21 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.531 -0.759 . . . . 20.0 111.678 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -68.97 -31.91 71.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.064 0.459 . . . . 20.0 110.441 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -88.45 -10.15 50.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.628 -0.715 . . . . 20.0 110.37 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.7 m120 59.51 -86.98 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.827 -0.624 . . . . 20.0 110.46 -174.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -135.0 -53.27 0.8 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.574 -0.528 . . . . 20.0 109.574 174.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.65 25.6 1.98 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.943 -0.571 . . . . 20.0 110.413 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -101.14 115.16 29.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.961 -0.563 . . . . 20.0 109.69 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -68.29 117.71 52.22 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.424 -0.353 . . . . 20.0 110.426 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -66.9 100.69 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.497 2.131 . . . . 20.0 111.769 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.3 ttm -147.96 137.66 22.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.133 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.6 t -63.41 103.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.934 0.397 . . . . 20.0 110.778 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 p -79.69 -15.86 56.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -84.44 36.2 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.258 0.552 . . . . 20.0 110.384 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.643 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 47.0 t80 -84.83 153.29 23.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.637 -0.71 . . . . 20.0 109.585 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -143.51 156.39 44.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.481 -0.327 . . . . 20.0 110.523 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -133.02 128.19 35.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.225 0.536 . . . . 20.0 109.936 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.36 121.88 64.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.862 -0.608 . . . . 20.0 110.432 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.71 -35.4 79.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.322 -0.854 . . . . 20.0 110.834 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.2 -30.75 71.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 20.0 111.078 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -77.07 -37.09 55.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.028 0.442 . . . . 20.0 110.458 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -78.26 -30.47 48.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.099 -0.501 . . . . 20.0 110.909 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 p -72.62 -33.8 66.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 20.0 109.975 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -69.69 -37.47 76.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.997 -0.547 . . . . 20.0 109.91 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.528 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 24.8 t-20 -66.84 -37.74 85.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.334 -0.617 . . . . 20.0 109.334 175.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.52 -37.28 86.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.657 -0.701 . . . . 20.0 109.999 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -64.29 -33.48 75.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.393 -0.821 . . . . 20.0 110.09 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.61 -36.05 52.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 20.0 109.983 -179.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.528 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 32.3 mmt180 -60.38 -27.32 67.32 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.574 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.97 -28.21 69.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.989 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -82.69 -34.35 27.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.832 -0.622 . . . . 20.0 110.239 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -72.86 -51.55 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.913 -0.585 . . . . 20.0 110.695 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.83 75.7 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.057 -0.52 . . . . 20.0 110.68 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.5 m -70.36 -47.31 61.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.079 -0.509 . . . . 20.0 110.934 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -152.29 64.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.526 -0.546 . . . . 20.0 109.526 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.1 mt -109.13 19.63 19.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 20.0 111.141 -176.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.56 87.53 2.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.132 0.491 . . . . 20.0 110.198 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.59 122.02 18.55 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.203 -176.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -89.1 16.52 1.8 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.056 2.504 . . . . 20.0 113.996 -176.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -141.48 89.22 9.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 121.023 0.44 . . . . 20.0 111.803 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -59.08 109.54 0.55 Allowed 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.43 2.087 . . . . 20.0 110.881 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.92 111.19 6.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 20.0 111.164 -176.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.0 mt -98.43 111.06 59.01 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.857 -0.61 . . . . 20.0 110.342 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -77.26 128.07 9.51 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.197 1.931 . . . . 20.0 110.81 176.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -63.82 -22.92 67.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 20.0 110.542 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.75 -32.96 74.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.417 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -67.48 -40.81 85.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.168 0.508 . . . . 20.0 109.925 176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.78 -50.74 57.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.709 -0.678 . . . . 20.0 110.771 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.34 -26.21 64.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.148 -0.478 . . . . 20.0 111.768 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -85.03 -65.32 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.91 0.386 . . . . 20.0 111.025 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 33.4 ttm180 -80.52 -58.58 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.948 -0.569 . . . . 20.0 111.601 -170.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 95.7 mmm -62.17 -35.43 78.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.792 -174.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.59 -43.05 89.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.75 0.309 . . . . 20.0 111.033 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.03 -22.18 62.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.016 0.436 . . . . 20.0 110.325 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.402 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 30.0 mmm180 -78.15 -39.37 41.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 20.0 109.857 176.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -64.08 -33.14 75.09 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.168 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.92 80.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.979 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.34 -5.25 48.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.942 -0.572 . . . . 20.0 111.036 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.0 mtp -90.76 -26.15 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 20.0 109.808 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -95.34 -42.31 8.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.545 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -100.65 137.9 38.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.136 -0.484 . . . . 20.0 110.518 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 40.91 46.78 2.45 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.379 1.049 . . . . 20.0 112.625 175.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -84.71 170.2 13.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.742 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.9 m 60.2 29.34 18.92 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.985 -0.552 . . . . 20.0 111.291 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -116.98 88.1 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.559 -0.534 . . . . 20.0 109.559 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.212 0 N-CA-C 109.294 -0.632 . . . . 20.0 109.294 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 17.6 tpt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.193 -0.299 . . . . 20.0 110.193 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.13 81.05 1.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.944 0.402 . . . . 20.0 110.525 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.668 ' HD2' ' CD1' ' A' ' -5' ' ' TYR . 88.0 m-85 -139.29 56.72 1.67 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 20.0 109.789 179.667 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.415 ' O ' ' HD2' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -142.82 152.27 42.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.97 0.414 . . . . 20.0 111.352 -177.377 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.84 -21.67 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.549 . . . . 20.0 110.378 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -98.25 -49.33 4.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.669 -0.696 . . . . 20.0 110.674 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 15.5 t70 73.22 115.66 0.06 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.916 0.76 . . . . 20.0 110.411 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -75.2 0.36 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.403 -0.817 . . . . 20.0 112.95 -169.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.41 0.32 56.36 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.651 -0.42 . . . . 20.0 109.873 177.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 60.83 32.26 20.09 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.455 -0.793 . . . . 20.0 110.332 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -85.49 86.55 7.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.939 -1.028 . . . . 20.0 110.314 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.21 136.21 33.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.119 -0.491 . . . . 20.0 109.702 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -99.69 18.68 17.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.164 0.507 . . . . 20.0 110.414 -177.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 p -120.43 127.65 26.2 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.572 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.27 121.15 8.39 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.662 2.241 . . . . 20.0 112.161 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.3 mtt -83.76 62.1 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.277 0.56 . . . . 20.0 110.546 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -90.33 151.22 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.59 -0.732 . . . . 20.0 110.464 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.2 p 51.87 78.41 0.12 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.589 0.755 . . . . 20.0 111.87 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -86.3 150.44 24.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.033 -0.53 . . . . 20.0 110.286 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -67.32 -24.85 65.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.223 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -85.48 80.17 9.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.833 -0.803 . . . . 20.0 108.833 170.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 p -70.64 123.42 21.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.479 -0.782 . . . . 20.0 111.951 -174.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.1 mt -102.28 -76.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.567 -0.742 . . . . 20.0 110.085 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.81 -35.33 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.254 0.549 . . . . 20.0 110.683 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -64.27 -29.7 70.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.498 -0.773 . . . . 20.0 110.161 178.367 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.66 -38.73 62.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.096 -0.502 . . . . 20.0 109.91 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.45 -37.68 85.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.777 -0.647 . . . . 20.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 p -70.69 -44.84 66.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.535 -0.302 . . . . 20.0 110.97 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.669 ' HD2' ' CD1' ' A' ' 21' ' ' TYR . 13.2 m-85 -64.71 -33.3 75.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.62 0.247 . . . . 20.0 111.223 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -70.72 -36.34 73.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.883 0.373 . . . . 20.0 110.177 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -60.08 -39.72 87.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.107 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -70.8 -39.55 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 20.0 110.365 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.3 -46.02 91.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 20.0 110.656 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -60.34 -35.74 76.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.532 -0.758 . . . . 20.0 111.109 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.91 -38.19 19.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.305 -0.407 . . . . 20.0 111.53 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.565 ' HD3' ' C ' ' A' ' 28' ' ' LYS . 10.2 tmtt? -70.1 -51.17 33.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.404 . . . . 20.0 110.38 -177.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -75.69 -30.46 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.355 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.65 -84.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.304 -0.862 . . . . 20.0 111.232 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 p -120.77 -57.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.66 0.267 . . . . 20.0 110.769 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 m -142.77 26.13 1.75 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.985 0.365 . . . . 20.0 111.985 -177.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.0 tp -88.41 57.91 4.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.559 0.695 . . . . 20.0 110.096 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.71 69.39 6.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.525 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -60.79 143.02 91.66 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.223 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.76 75.73 0.83 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.743 2.295 . . . . 20.0 112.251 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -64.01 133.15 95.5 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 20.0 111.25 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -66.51 136.01 41.34 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.41 2.073 . . . . 20.0 111.289 174.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.45 78.98 0.27 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.383 0.611 . . . . 20.0 111.786 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.3 pt -127.45 141.91 42.38 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.586 -0.734 . . . . 20.0 110.531 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -66.55 118.31 5.43 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.645 2.23 . . . . 20.0 112.031 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -88.27 -29.67 20.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.755 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -68.37 -34.27 75.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 20.0 110.839 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -66.82 -41.38 87.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.982 -0.553 . . . . 20.0 109.885 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.0 t -70.7 -47.35 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.745 . . . . 20.0 110.482 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.94 -41.0 77.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 20.0 111.502 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.5 ttp-105 -60.64 -37.35 81.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.486 . . . . 20.0 110.765 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -85.68 -36.1 20.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.531 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 45.5 tpp -63.22 -38.75 92.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.45 -0.795 . . . . 20.0 110.555 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.67 81.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 20.0 110.943 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.61 -45.23 87.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.532 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.21 -39.08 82.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.737 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.627 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 70.8 t80 -65.57 -33.98 77.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.636 178.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.82 -30.04 70.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.09 0.472 . . . . 20.0 110.626 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -80.79 -44.97 17.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.214 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.12 -36.32 79.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.674 -0.694 . . . . 20.0 110.99 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -66.77 -26.11 66.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.772 -0.649 . . . . 20.0 111.354 -177.026 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -85.39 -14.26 46.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.248 0.547 . . . . 20.0 110.183 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -95.13 174.39 7.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.488 -0.778 . . . . 20.0 110.274 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -88.36 80.17 7.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.892 -0.781 . . . . 20.0 108.892 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.3 m -144.93 60.14 1.31 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.2 -0.455 . . . . 20.0 111.082 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.513 ' HB3' ' HZ1' ' A' ' 62' ' ' LYS . 7.7 ttpm? 60.5 87.74 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.882 -0.599 . . . . 20.0 111.215 177.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.316 -0.85 . . . . 20.0 109.744 -178.578 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.411 0.148 . . . . 20.0 110.717 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 60.35 47.97 8.4 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.684 0.615 . . . . 20.0 112.176 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -104.88 112.57 25.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.855 -0.424 . . . . 20.0 109.855 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' -4' ' ' LYS . 0.3 OUTLIER -74.34 -50.45 18.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.659 -0.7 . . . . 20.0 109.47 -178.803 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -149.11 129.8 14.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.279 -0.873 . . . . 20.0 109.068 175.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -129.2 -67.72 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.368 -0.378 . . . . 20.0 110.334 -177.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 47.23 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.991 0.807 . . . . 20.0 112.667 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.52 -19.37 65.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.926 0.393 . . . . 20.0 110.872 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -83.8 -10.33 58.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.59 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 65.36 -177.67 0.18 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.735 -0.666 . . . . 20.0 111.534 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 3' ' ' ARG . 26.1 mmt180 72.1 128.74 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.7 0.762 . . . . 20.0 112.824 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.409 ' C ' ' H ' ' A' ' 6' ' ' SER . . . -75.41 147.19 40.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.265 -0.879 . . . . 20.0 109.317 173.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pp -82.43 26.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.092 0.473 . . . . 20.0 111.589 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 4' ' ' ALA . 53.5 m 55.38 71.9 1.17 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.15 -0.932 . . . . 20.0 111.963 -179.448 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.28 -34.12 2.24 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.222 1.948 . . . . 20.0 111.899 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.1 ttt -164.97 66.28 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.288 -0.634 . . . . 20.0 109.288 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.0 m -105.48 137.92 32.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.779 -0.646 . . . . 20.0 110.487 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.7 m -156.89 69.96 0.62 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.195 0.522 . . . . 20.0 110.127 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -78.71 63.92 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.513 0.673 . . . . 20.0 110.59 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -107.24 133.6 51.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.353 -0.84 . . . . 20.0 109.585 178.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -86.16 46.2 1.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.358 0.599 . . . . 20.0 110.336 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -67.7 152.68 45.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.217 -0.901 . . . . 20.0 110.97 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.553 ' O ' ' HB3' ' A' ' 20' ' ' SER . 27.6 pt -90.99 50.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.962 -0.563 . . . . 20.0 111.592 -177.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -91.27 -68.03 0.82 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.012 0.375 . . . . 20.0 112.012 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -90.23 -70.03 0.69 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.086 0.47 . . . . 20.0 111.978 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -90.3 -48.44 7.14 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.115 -172.151 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.458 ' HB2' ' HA ' ' A' ' 15' ' ' ILE . 86.8 m-20 -64.86 -14.47 59.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.311 0.485 . . . . 20.0 112.311 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.553 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 7.2 p -73.3 -48.14 36.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.966 0.412 . . . . 20.0 110.848 176.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.67 ' HE1' ' CE2' ' A' ' 21' ' ' TYR . 61.3 m-85 -91.28 -44.6 9.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.259 -0.428 . . . . 20.0 111.339 -177.719 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.491 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 12.3 m120 -60.01 -43.74 95.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.407 -0.361 . . . . 20.0 111.459 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.5 -34.67 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.17 0.51 . . . . 20.0 110.605 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -72.28 -29.28 63.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.179 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.67 -49.22 12.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.805 -0.634 . . . . 20.0 110.222 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 81.2 mtp180 -61.59 -38.24 86.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 20.0 111.14 -176.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.29 -20.5 63.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.39 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -82.62 -43.71 16.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.082 -0.508 . . . . 20.0 109.852 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 82.3 t -62.71 -47.81 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 20.0 110.28 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.46 110.74 6.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.342 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 t -66.59 -19.74 65.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.462 . . . . 20.0 110.674 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -94.99 89.86 5.75 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.263 -0.643 . . . . 20.0 109.263 175.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.19 -38.65 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.723 -0.473 . . . . 20.0 109.723 -178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.53 57.96 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.399 0.619 . . . . 20.0 110.031 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.15 152.98 96.09 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.492 -0.777 . . . . 20.0 110.13 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.61 91.54 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.954 2.436 . . . . 20.0 111.739 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -164.01 141.31 5.55 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.485 -0.779 . . . . 20.0 109.335 -174.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.15 152.1 32.23 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.551 2.168 . . . . 20.0 110.723 173.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.69 78.97 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.315 0.578 . . . . 20.0 111.586 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.69 128.45 18.95 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.279 -0.873 . . . . 20.0 108.915 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.66 127.29 13.77 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.885 2.39 . . . . 20.0 111.951 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -61.26 -30.09 70.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.513 . . . . 20.0 111.195 -175.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.97 -33.67 76.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.083 0.468 . . . . 20.0 110.132 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.05 -38.02 64.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.575 -0.739 . . . . 20.0 109.678 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.05 -51.08 73.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.852 -0.613 . . . . 20.0 110.666 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -57.81 -29.39 64.86 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.117 0.484 . . . . 20.0 110.657 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 45.1 ttm180 -71.92 -60.44 2.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.772 177.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -65.15 -38.13 89.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.329 . . . . 20.0 111.299 -175.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 52.4 tpp -64.04 -29.47 70.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.315 -0.402 . . . . 20.0 110.927 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.08 -51.0 71.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 20.0 111.134 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.06 -27.81 61.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 20.0 110.496 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -64.13 -44.43 92.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 20.0 110.57 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -65.06 -36.4 84.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.521 . . . . 20.0 110.61 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.6 -45.33 53.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 20.0 110.872 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -66.63 -23.61 66.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.673 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.1 ttm -65.93 -31.3 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.912 -0.585 . . . . 20.0 110.281 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -79.85 -29.04 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.018 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 tttm 70.12 -69.6 0.17 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.215 -0.902 . . . . 20.0 111.117 177.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -164.25 18.14 0.06 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.823 -0.436 . . . . 20.0 109.823 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 61.6 -91.37 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.22 -0.9 . . . . 20.0 110.032 -174.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.7 t 44.79 73.35 0.16 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.871 0.732 . . . . 20.0 112.26 172.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -85.22 57.11 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.709 0.766 . . . . 20.0 110.136 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.26 -0.882 . . . . 20.0 109.025 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.347 -0.242 . . . . 20.0 110.347 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -124.54 124.03 41.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.567 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.654 ' HD1' ' CD2' ' A' ' -5' ' ' TYR . 88.2 m-85 -128.21 106.85 9.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.239 -0.437 . . . . 20.0 110.0 179.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -93.73 60.24 2.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.395 0.617 . . . . 20.0 110.835 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -95.36 -6.57 40.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.243 -0.889 . . . . 20.0 110.284 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.52 -38.3 2.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.539 -0.755 . . . . 20.0 110.604 -177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 57.26 77.03 0.29 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.497 0.665 . . . . 20.0 110.546 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.3 -18.6 60.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.305 -0.861 . . . . 20.0 111.307 -175.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -89.99 -18.39 26.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.261 0.553 . . . . 20.0 110.396 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -79.42 92.66 5.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.686 -0.688 . . . . 20.0 111.18 -175.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 60.58 50.47 5.72 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.6 -0.727 . . . . 20.0 112.142 174.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.18 28.28 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.384 0.612 . . . . 20.0 110.217 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.8 tp -141.92 129.86 21.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.338 -0.846 . . . . 20.0 109.728 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -68.0 133.32 91.92 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.798 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.17 -5.54 17.32 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.859 2.373 . . . . 20.0 111.908 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.1 mtp -136.22 166.08 24.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.366 -0.834 . . . . 20.0 109.48 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.21 127.52 28.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.137 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.3 m -81.05 65.54 6.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.125 -0.489 . . . . 20.0 111.151 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -87.22 154.54 20.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.771 -0.649 . . . . 20.0 109.917 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -83.69 -21.18 32.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.539 -0.541 . . . . 20.0 109.539 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -127.65 124.89 39.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.664 -0.698 . . . . 20.0 109.635 175.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -97.22 126.63 42.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.13 0.49 . . . . 20.0 110.17 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.439 HD13 ' N ' ' A' ' 15' ' ' ILE . 3.5 mp -69.55 132.13 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.597 -0.729 . . . . 20.0 109.77 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -45.93 -39.71 9.18 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.492 0.923 . . . . 20.0 113.492 -170.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.94 -24.33 67.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.767 0.318 . . . . 20.0 111.729 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -90.59 -14.05 33.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.891 0.377 . . . . 20.0 110.489 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.36 -30.66 71.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.445 . . . . 20.0 110.919 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -67.99 -34.14 75.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.147 0.499 . . . . 20.0 110.43 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -73.79 -33.44 64.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 20.0 109.977 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.432 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 21.0 m-80 -57.52 -45.44 84.99 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.708 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -59.71 -43.06 94.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.482 -0.327 . . . . 20.0 111.324 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -62.2 -42.07 98.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 20.0 110.275 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.19 -43.39 78.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 20.0 110.131 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.432 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 98.6 mtt180 -62.95 -36.3 82.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.158 -0.473 . . . . 20.0 110.94 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.23 -24.97 65.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.152 0.501 . . . . 20.0 110.908 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -90.51 -6.23 55.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.568 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.441 HG11 ' HG ' ' A' ' 32' ' ' SER . 42.0 t -59.41 -55.52 23.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.646 -0.252 . . . . 20.0 111.596 -177.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 66.88 -69.46 0.13 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.318 0.647 . . . . 20.0 111.889 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -156.45 83.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.813 0.815 . . . . 20.0 110.725 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.441 ' HG ' HG11 ' A' ' 29' ' ' VAL . 57.7 p -156.34 111.33 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 20.0 109.579 177.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -79.31 61.89 3.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.113 0.482 . . . . 20.0 111.732 -174.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.74 118.32 23.82 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.349 -0.612 . . . . 20.0 109.349 174.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -100.72 112.02 63.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 20.0 111.204 -173.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 94.6 Cg_endo -82.65 34.85 0.56 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 123.035 2.49 . . . . 20.0 112.473 -178.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 36' ' ' PRO . 6.3 mpt_? 72.52 147.72 0.12 Allowed Pre-proline 0 N--CA 1.468 0.449 0 CA-C-N 115.45 -0.796 . . . . 20.0 111.245 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.12 68.18 6.69 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.839 2.359 . . . . 20.0 112.749 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.3 141.87 43.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.712 -0.676 . . . . 20.0 109.98 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.5 mt 67.09 107.74 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 123.699 0.624 . . . . 20.0 110.879 -177.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -63.32 133.93 42.77 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.226 1.951 . . . . 20.0 111.205 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.553 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 18.1 p80 -76.69 0.63 19.67 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.517 -0.473 . . . . 20.0 110.845 -176.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.31 -36.13 70.71 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.702 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.46 -43.33 88.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.784 -0.644 . . . . 20.0 109.906 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.62 -40.45 84.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.347 -0.842 . . . . 20.0 110.675 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 46.5 mm-40 -55.17 -42.5 73.26 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.848 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -69.76 -40.14 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.569 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -62.01 -39.24 91.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.443 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.2 tpp -78.65 -31.48 46.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.583 -0.735 . . . . 20.0 110.515 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.76 92.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.766 -0.652 . . . . 20.0 112.004 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.37 -23.04 67.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.885 0.374 . . . . 20.0 111.16 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -71.26 -51.93 21.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.15 -0.477 . . . . 20.0 109.721 177.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.492 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 54.7 m-85 -68.83 -27.46 65.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 20.0 111.03 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.42 82.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.731 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -74.18 -28.83 61.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.401 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.7 mtp -78.11 -7.61 57.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 20.0 110.945 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.492 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 98.5 mtt180 -95.32 -22.96 17.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.022 0.439 . . . . 20.0 110.26 176.755 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -81.42 -49.22 10.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.964 -0.754 . . . . 20.0 108.964 173.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -117.55 97.63 5.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.168 -0.924 . . . . 20.0 108.865 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.417 ' C ' ' HG ' ' A' ' 61' ' ' SER . 73.9 ttt180 -80.71 149.84 29.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.359 -0.382 . . . . 20.0 110.86 -174.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.417 ' HG ' ' C ' ' A' ' 60' ' ' ARG . 15.7 p 52.22 81.89 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.735 0.814 . . . . 20.0 111.95 179.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -87.98 -3.54 58.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.987 -0.551 . . . . 20.0 110.415 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.582 -0.735 . . . . 20.0 110.007 176.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 30.8 mmt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.645 -0.502 . . . . 20.0 109.645 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -138.96 33.15 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.243 0.544 . . . . 20.0 110.128 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -86.39 -54.54 4.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.687 -0.688 . . . . 20.0 111.239 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -118.87 8.58 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.291 0.567 . . . . 20.0 110.555 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -152.01 116.05 4.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.19 -0.914 . . . . 20.0 110.445 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -109.7 -46.79 3.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.846 0.831 . . . . 20.0 108.945 174.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -149.44 30.7 0.75 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 107.648 -1.242 . . . . 20.0 107.648 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -90.34 -49.84 6.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.361 -1.291 . . . . 20.0 110.223 -173.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -86.07 -17.13 35.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.456 -0.793 . . . . 20.0 109.243 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -89.39 158.58 17.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.176 -0.92 . . . . 20.0 110.336 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -101.55 131.69 47.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.529 0.204 . . . . 20.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.3 99.34 2.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.223 -0.444 . . . . 20.0 111.136 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.08 134.29 55.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.584 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 p -159.35 139.24 8.61 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.175 -0.466 . . . . 20.0 109.877 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.79 114.94 2.15 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.948 2.432 . . . . 20.0 112.482 -176.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mtm -86.62 52.76 2.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.843 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.3 m -92.53 131.65 39.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.409 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.3 m -128.51 40.57 3.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.026 0.441 . . . . 20.0 110.871 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -163.35 145.89 10.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.914 -0.584 . . . . 20.0 110.277 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.648 ' HE1' ' CE2' ' A' ' 12' ' ' PHE . 55.7 t80 -106.6 90.17 3.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.405 0.621 . . . . 20.0 110.396 -178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -111.33 24.33 12.96 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.489 -0.778 . . . . 20.0 110.204 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.416 HG23 ' HB2' ' A' ' 17' ' ' GLN . 17.6 m -81.28 67.39 7.2 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.697 0.76 . . . . 20.0 110.093 -178.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -84.72 -47.67 17.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.171 -0.922 . . . . 20.0 111.117 -175.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -65.24 -41.94 93.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.797 -0.638 . . . . 20.0 111.655 -173.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.416 ' HB2' HG23 ' A' ' 14' ' ' THR . 2.4 mp0 -61.96 -25.86 67.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.705 0.288 . . . . 20.0 111.497 -177.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -80.23 -33.05 38.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.928 0.394 . . . . 20.0 110.704 -177.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -92.03 -22.29 20.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.197 0.443 . . . . 20.0 112.197 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 p -77.84 -8.88 58.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.238 0.459 . . . . 20.0 112.238 -174.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.656 ' HE1' ' CE2' ' A' ' 21' ' ' TYR . 24.4 p90 -46.97 -38.92 11.45 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.329 0.492 . . . . 20.0 112.329 -176.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -87.06 -23.91 24.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 20.0 111.108 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.05 -46.03 25.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.944 -0.571 . . . . 20.0 110.607 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.451 ' CH2' ' HB3' ' A' ' 41' ' ' PRO . 68.4 t-105 -69.15 -23.27 63.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.2 0.524 . . . . 20.0 109.624 177.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.7 tp -65.37 -38.06 88.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.794 -0.639 . . . . 20.0 109.465 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -73.93 -32.29 63.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.115 176.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.57 84.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.348 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.4 -40.99 94.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.417 -0.81 . . . . 20.0 109.932 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.48 -54.51 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.771 -0.649 . . . . 20.0 111.264 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.27 -91.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.1 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -146.66 -59.96 0.3 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.886 -0.143 . . . . 20.0 111.307 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.5 m 67.49 -61.27 0.36 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.602 0.761 . . . . 20.0 111.833 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.78 99.2 1.32 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.432 -0.581 . . . . 20.0 109.432 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.24 29.87 5.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.28 0.562 . . . . 20.0 110.149 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.6 131.54 94.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.455 -0.793 . . . . 20.0 110.52 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.2 -6.32 18.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.547 2.164 . . . . 20.0 111.818 177.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -100.58 145.25 30.0 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.715 -0.675 . . . . 20.0 109.259 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.48 112.28 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.788 2.325 . . . . 20.0 112.003 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.11 129.82 44.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.077 -0.511 . . . . 20.0 111.163 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.8 pt -96.65 146.81 31.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.609 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.451 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 35.5 Cg_exo -60.39 118.46 5.34 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.533 2.156 . . . . 20.0 111.548 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -79.78 -4.79 53.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.972 0.415 . . . . 20.0 110.494 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -57.76 -35.65 71.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.33 173.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 35.9 tt0 -65.83 -40.62 91.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.531 -0.758 . . . . 20.0 110.383 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.85 -42.83 97.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.189 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.06 -37.85 86.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.834 -0.621 . . . . 20.0 109.337 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' NH1' ' HA ' ' A' ' 47' ' ' ARG . 1.8 tpp180 -66.43 -32.18 73.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 20.0 110.897 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 30.0 mmm180 -77.94 -41.81 35.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.155 0.502 . . . . 20.0 110.025 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.7 mmt -76.06 -19.47 58.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 20.0 111.576 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.57 -38.68 72.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 20.0 111.131 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -70.41 -29.14 65.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.761 -0.654 . . . . 20.0 110.341 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -79.3 -29.62 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 20.0 110.336 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.652 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 76.9 t80 -58.02 -31.17 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.674 -0.694 . . . . 20.0 111.173 -176.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.01 86.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 20.0 110.986 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -88.82 -24.72 22.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.102 0.477 . . . . 20.0 110.394 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.429 ' HB3' ' HA ' ' A' ' 53' ' ' PHE . 53.7 tpp -67.74 -24.77 65.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.989 -0.55 . . . . 20.0 110.608 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -59.13 -34.21 71.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.032 -0.531 . . . . 20.0 110.532 177.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -169.44 103.33 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.031 0.443 . . . . 20.0 110.829 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.05 3.49 17.41 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.037 -0.529 . . . . 20.0 110.608 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -57.09 -74.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 20.0 111.033 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 m -129.86 36.13 4.08 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.115 -0.698 . . . . 20.0 109.115 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.436 ' HG2' ' H ' ' A' ' 63' ' ' GLN . 47.6 tttm 67.07 180.0 0.22 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 114.918 -1.037 . . . . 20.0 109.69 -176.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.436 ' H ' ' HG2' ' A' ' 62' ' ' LYS . 78.4 mt-30 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 117.896 -1.05 . . . . 20.0 110.885 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.723 0.297 . . . . 20.0 110.564 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -137.09 83.69 2.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.334 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.639 ' HD1' ' CD2' ' A' ' -5' ' ' TYR . 64.8 t80 -156.72 87.66 1.02 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.662 178.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.55 -25.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.239 -0.437 . . . . 20.0 110.856 175.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -126.34 33.7 4.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.568 0.699 . . . . 20.0 110.482 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.94 -43.4 83.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.6 -0.727 . . . . 20.0 110.034 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 59.05 83.94 0.12 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.778 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.54 -25.14 67.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 20.0 110.218 177.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -68.81 -24.43 64.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.328 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.48 -24.73 18.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.244 -0.434 . . . . 20.0 109.982 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -144.41 128.16 17.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.864 0.32 . . . . 20.0 111.864 -177.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 72.41 -68.56 0.22 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.823 0.849 . . . . 20.0 112.244 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 tm? 58.39 80.09 0.19 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.284 0.564 . . . . 20.0 109.564 -175.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -88.36 109.73 30.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.776 -0.647 . . . . 20.0 110.394 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.37 158.27 25.93 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.552 2.168 . . . . 20.0 111.277 178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.2 mtp -76.39 75.94 3.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.313 0.577 . . . . 20.0 110.324 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.78 139.09 25.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.482 -0.781 . . . . 20.0 110.552 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 m -112.0 18.37 18.83 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.232 0.539 . . . . 20.0 110.211 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -95.67 136.11 36.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.64 -0.709 . . . . 20.0 109.835 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -121.71 126.22 48.42 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.994 -0.548 . . . . 20.0 111.226 -174.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 58.55 20.9 8.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.824 -0.625 . . . . 20.0 111.9 175.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -79.59 127.62 32.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.581 0.705 . . . . 20.0 112.869 -171.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -90.69 158.08 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.043 -0.98 . . . . 20.0 108.475 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -45.14 -49.8 11.7 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.187 0.44 . . . . 20.0 112.187 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -67.09 -35.62 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 20.0 111.326 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -71.94 -15.48 62.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.076 0.465 . . . . 20.0 110.447 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -65.99 -15.05 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.532 176.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -87.18 -20.66 26.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.368 0.604 . . . . 20.0 109.766 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -96.27 -13.79 23.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.421 -0.809 . . . . 20.0 110.366 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -45.6 -24.1 0.31 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.846 -1.07 . . . . 20.0 113.599 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.66 -37.48 68.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 20.0 110.703 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -72.04 -37.08 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 20.0 110.365 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.34 -28.98 62.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.531 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -65.54 -31.91 73.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.18 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.8 72.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.285 0.565 . . . . 20.0 110.038 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -73.22 -27.1 61.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.402 -0.817 . . . . 20.0 110.11 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.2 t -77.69 -36.78 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.048 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.54 -28.41 69.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.896 -0.593 . . . . 20.0 110.944 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 p -100.84 17.81 21.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.418 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.5 t -141.43 118.36 11.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 20.0 110.007 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.0 tp -81.98 -30.16 31.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.898 0.38 . . . . 20.0 110.59 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.21 108.97 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.34 -0.391 . . . . 20.0 111.238 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -107.87 124.47 34.73 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 108.872 -0.788 . . . . 20.0 108.872 172.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.06 -11.32 23.3 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.765 2.31 . . . . 20.0 114.042 -172.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -139.27 60.63 17.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 111.653 0.242 . . . . 20.0 111.653 -175.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -88.8 52.33 1.75 Allowed 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.715 2.276 . . . . 20.0 111.537 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.12 167.99 22.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.512 -0.767 . . . . 20.0 111.061 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.7 mt -122.85 128.93 25.19 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.464 -0.789 . . . . 20.0 109.345 177.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.12 118.43 2.4 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.891 2.394 . . . . 20.0 112.483 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -88.89 -36.42 15.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.503 -0.317 . . . . 20.0 110.239 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.56 -50.51 73.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 20.0 111.146 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.66 -47.73 83.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.373 . . . . 20.0 111.179 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.67 -48.83 81.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.237 -0.438 . . . . 20.0 110.712 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.18 -45.3 85.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.12 -0.491 . . . . 20.0 111.343 -176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -64.74 -33.59 76.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.341 . . . . 20.0 110.812 -176.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -77.18 -35.84 55.54 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.11 -0.495 . . . . 20.0 110.522 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.4 mmt -76.15 -34.22 59.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.045 -0.525 . . . . 20.0 110.558 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.7 -40.44 72.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.052 -0.522 . . . . 20.0 111.26 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.54 -40.43 97.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.801 -0.636 . . . . 20.0 110.114 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -70.71 -44.42 66.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 20.0 110.518 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.589 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 23.9 m-85 -63.6 -30.31 71.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.864 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.97 -31.43 70.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.987 0.422 . . . . 20.0 111.043 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -77.87 -44.26 27.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.038 -0.528 . . . . 20.0 110.958 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.2 ptm -84.83 -1.67 56.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.856 0.36 . . . . 20.0 111.51 -176.28 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.589 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 43.3 ttp180 -70.45 -45.24 66.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.921 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -165.48 139.76 4.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.994 -0.548 . . . . 20.0 109.861 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.82 95.95 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.858 0.361 . . . . 20.0 110.437 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -89.99 157.18 17.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.94 -0.573 . . . . 20.0 109.784 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 m 62.4 27.26 16.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.384 0.612 . . . . 20.0 110.237 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -129.08 56.99 1.65 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.414 -0.812 . . . . 20.0 109.04 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.573 -0.74 . . . . 20.0 109.973 -174.445 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 121.12 0.486 . . . . 20.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -153.41 168.62 25.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.529 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.668 ' HD1' ' CD2' ' A' ' -5' ' ' TYR . 66.2 t80 -150.07 90.54 1.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 20.0 109.557 177.383 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 70.65 -55.29 0.63 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.662 0.785 . . . . 20.0 111.387 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -99.46 115.0 28.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.11 -0.496 . . . . 20.0 109.98 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -70.34 -47.58 60.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.354 -0.61 . . . . 20.0 109.354 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 53.5 91.26 0.03 OUTLIER 'General case' 0 C--O 1.236 0.349 0 CA-C-N 114.775 -1.102 . . . . 20.0 112.641 173.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.96 -10.47 59.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.746 -0.661 . . . . 20.0 109.871 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -84.41 0.1 50.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.447 -0.797 . . . . 20.0 110.377 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p30 39.65 62.06 1.28 Allowed 'General case' 0 N--CA 1.47 0.555 0 O-C-N 124.134 0.896 . . . . 20.0 112.271 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -97.87 47.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.645 -0.707 . . . . 20.0 110.698 -177.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.73 69.51 0.98 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.586 -0.733 . . . . 20.0 109.917 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 mp -76.81 91.99 3.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.869 -0.605 . . . . 20.0 110.786 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m 60.14 77.74 0.36 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.361 -0.836 . . . . 20.0 111.772 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.78 -46.81 26.9 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.594 2.196 . . . . 20.0 111.826 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -141.62 113.84 8.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.346 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -90.57 90.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.32 0.581 . . . . 20.0 110.359 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 p -107.21 119.11 38.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.546 -0.752 . . . . 20.0 110.29 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -108.07 133.72 51.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.539 -0.3 . . . . 20.0 110.455 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.656 ' HE1' ' CE2' ' A' ' 12' ' ' PHE . 22.8 t80 -111.15 75.54 0.93 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.414 0.626 . . . . 20.0 110.433 -178.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -112.59 -103.5 0.4 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.687 -0.688 . . . . 20.0 110.506 177.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.5 p -102.43 -2.12 29.4 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.976 -0.29 . . . . 20.0 111.484 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.0 mt -51.72 -55.36 9.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.763 0.316 . . . . 20.0 111.25 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -65.11 -41.45 94.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 20.0 110.611 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.92 -49.04 79.33 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.095 -0.502 . . . . 20.0 111.368 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.95 -31.49 72.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.413 -175.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.513 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 95.9 m-20 -90.7 -15.33 30.5 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.841 -0.344 . . . . 20.0 111.687 -178.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -51.1 -53.45 34.04 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.232 0.456 . . . . 20.0 112.232 -176.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -71.35 -25.02 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.929 0.395 . . . . 20.0 110.539 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -75.01 -42.8 56.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.09 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 19' ' ' ASN . 13.2 mm-40 -67.92 -39.46 83.54 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.63 -0.507 . . . . 20.0 109.63 178.381 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -63.98 -38.77 92.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 20.0 110.208 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.0 -26.03 65.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.889 -0.596 . . . . 20.0 111.045 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -90.41 -48.27 7.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.064 0.459 . . . . 20.0 110.644 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.18 -5.08 42.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.871 -0.604 . . . . 20.0 112.308 -173.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -17.16 59.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.643 0.259 . . . . 20.0 111.18 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.26 -49.91 50.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 20.0 109.896 175.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -171.92 -78.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.656 -0.702 . . . . 20.0 110.398 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.8 p -138.83 35.39 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.328 0.585 . . . . 20.0 110.177 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -80.01 94.85 6.0 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.546 -0.752 . . . . 20.0 112.214 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.3 mt -104.09 -1.43 27.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.461 0.648 . . . . 20.0 109.426 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.13 -176.74 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.967 -1.015 . . . . 20.0 110.089 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.527 ' OD2' ' HD3' ' A' ' 37' ' ' ARG . 29.1 t70 -106.44 114.17 62.39 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.612 -0.267 . . . . 20.0 110.838 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.38 120.92 7.7 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.697 2.264 . . . . 20.0 111.608 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.527 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 13.4 ptt180 -159.12 77.19 3.1 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 121.166 0.508 . . . . 20.0 110.621 -174.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.47 -25.32 75.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.898 2.399 . . . . 20.0 113.164 -177.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.5 -58.87 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.029 0.381 . . . . 20.0 112.029 -177.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.8 mt -120.15 106.43 40.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.754 0.311 . . . . 20.0 111.469 -175.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -80.26 119.35 3.81 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.554 2.169 . . . . 20.0 111.844 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.401 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 16.1 m-70 -87.36 -20.48 26.67 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.314 -0.241 . . . . 20.0 111.305 -178.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -64.83 -29.94 70.92 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.766 0.284 . . . . 20.0 111.766 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -82.44 -29.93 30.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.832 0.349 . . . . 20.0 110.998 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.48 -50.22 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.031 0.443 . . . . 20.0 110.569 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.76 -40.02 82.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.763 -0.653 . . . . 20.0 111.202 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -66.56 -30.2 70.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.394 . . . . 20.0 111.176 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -90.64 -30.0 17.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.907 0.384 . . . . 20.0 111.184 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 43.8 tpp -90.48 -47.93 7.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.067 -0.515 . . . . 20.0 112.282 -172.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.03 -63.68 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.908 0.707 . . . . 20.0 112.908 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.04 -31.73 69.11 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.812 0.339 . . . . 20.0 111.805 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -68.86 -41.32 78.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.916 0.389 . . . . 20.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -77.17 -34.23 56.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.976 0.417 . . . . 20.0 110.345 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.07 70.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.914 -0.584 . . . . 20.0 110.898 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.71 -31.66 70.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.491 . . . . 20.0 110.614 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.5 mtp -78.88 -14.94 58.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.905 -0.588 . . . . 20.0 110.51 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -109.54 9.04 25.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.535 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt 60.48 82.35 0.16 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.635 -0.711 . . . . 20.0 109.611 -173.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -42.15 109.03 0.11 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 114.89 -1.05 . . . . 20.0 113.656 -169.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 60' ' ' ARG . 30.0 ttt180 -146.2 21.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.348 -0.842 . . . . 20.0 109.283 176.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 m -76.03 116.91 17.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.744 -0.662 . . . . 20.0 110.698 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -129.1 26.03 5.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.376 0.608 . . . . 20.0 110.275 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.268 -0.873 . . . . 20.0 109.497 178.52 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.763 0.316 . . . . 20.0 110.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -116.99 -63.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 20.0 110.244 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.631 ' HE2' ' CE1' ' A' ' -5' ' ' TYR . 72.3 m-85 -82.49 91.25 6.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.557 179.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -84.72 98.69 10.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.394 -0.595 . . . . 20.0 109.394 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 69.39 -170.94 0.18 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.277 -0.874 . . . . 20.0 110.714 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -77.33 -56.45 4.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.288 0.566 . . . . 20.0 110.718 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -89.35 162.44 15.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.887 -176.547 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -84.91 1.23 48.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.934 0.873 . . . . 20.0 109.196 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -70.1 -4.29 20.53 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 114.537 -1.211 . . . . 20.0 111.128 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -58.04 141.81 48.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 20.0 110.248 177.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.629 ' HA ' ' OG ' ' A' ' 6' ' ' SER . 14.5 ptm180 -138.27 57.83 1.69 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.55 0.69 . . . . 20.0 111.221 -173.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.1 -59.2 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.476 -0.784 . . . . 20.0 110.462 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.92 21.27 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.375 0.607 . . . . 20.0 109.75 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.629 ' OG ' ' HA ' ' A' ' 3' ' ' ARG . 31.0 m -77.22 139.59 64.85 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.27 -0.877 . . . . 20.0 111.568 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.434 ' HG3' ' OD1' ' A' ' 43' ' ' ASP . 70.1 Cg_endo -75.06 78.54 2.89 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.774 2.316 . . . . 20.0 111.352 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.7 mtm -79.45 46.43 0.74 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.681 -0.69 . . . . 20.0 110.97 -175.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.5 p -166.91 43.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 122.093 0.949 . . . . 20.0 109.617 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.3 t -59.84 -33.08 71.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.313 -0.858 . . . . 20.0 110.013 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -157.17 146.43 20.18 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.546 -0.752 . . . . 20.0 108.988 172.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.598 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 41.5 p90 -86.95 2.38 49.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.18 0.514 . . . . 20.0 110.758 -178.003 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -97.6 149.02 22.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.52 -0.764 . . . . 20.0 109.667 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -164.39 149.72 10.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.598 -0.519 . . . . 20.0 109.598 -175.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.424 HD13 ' N ' ' A' ' 15' ' ' ILE . 2.5 mp -75.37 130.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.435 -0.58 . . . . 20.0 109.435 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.75 -32.21 69.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.319 -0.855 . . . . 20.0 111.681 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.92 -29.9 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 20.0 110.82 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HG3' ' HB ' ' A' ' 15' ' ' ILE . 31.7 mt-10 -71.53 -38.05 71.09 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.386 0.612 . . . . 20.0 109.577 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.565 HD21 ' N ' ' A' ' 19' ' ' ASN . 0.8 OUTLIER -71.92 -33.46 68.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.32 -0.855 . . . . 20.0 110.605 -173.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.1 m -64.25 -33.22 75.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.919 0.39 . . . . 20.0 110.23 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -80.57 -36.02 33.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 20.0 109.98 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.547 ' C ' HD21 ' A' ' 22' ' ' ASN . 0.2 OUTLIER -58.14 -47.63 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.943 -0.571 . . . . 20.0 109.674 175.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.09 -36.99 85.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.784 -0.644 . . . . 20.0 110.479 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -72.67 -46.24 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.366 -0.379 . . . . 20.0 110.995 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.26 -45.6 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 20.0 110.899 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -67.61 -29.74 69.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 20.0 110.939 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.41 -32.33 32.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.085 0.469 . . . . 20.0 110.634 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -73.44 -71.06 0.33 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.742 -0.663 . . . . 20.0 109.916 179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.546 HG12 ' H ' ' A' ' 30' ' ' ALA . 3.4 p -104.71 -70.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.735 -0.211 . . . . 20.0 111.34 176.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.546 ' H ' HG12 ' A' ' 29' ' ' VAL . . . 172.11 -167.07 0.02 OUTLIER 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.602 0.761 . . . . 20.0 109.216 -173.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.8 m 75.8 131.78 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.613 0.571 . . . . 20.0 111.886 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.0 p -83.02 51.79 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 20.0 110.808 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.5 tp 65.13 -80.19 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.355 -0.839 . . . . 20.0 111.704 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.34 -179.21 5.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.818 0.342 . . . . 20.0 110.81 -173.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -102.97 95.34 6.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.714 -0.847 . . . . 20.0 108.714 176.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -76.05 116.72 4.46 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.66 2.24 . . . . 20.0 112.707 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.547 ' NH2' ' HB3' ' A' ' 6' ' ' SER . 92.3 mtt180 -134.7 66.76 70.08 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.475 -0.33 . . . . 20.0 111.699 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.409 ' HD3' ' N ' ' A' ' 37' ' ' ARG . 4.2 Cg_exo -76.81 -17.8 15.44 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.244 1.963 . . . . 20.0 110.416 171.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.61 166.52 21.03 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.607 -1.179 . . . . 20.0 110.619 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.91 124.04 90.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.088 -0.505 . . . . 20.0 109.645 176.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -67.63 119.87 6.89 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.411 2.074 . . . . 20.0 111.926 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -67.34 -10.03 47.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.1 0.476 . . . . 20.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.537 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 4.2 m-20 -63.78 -29.6 70.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.938 -0.573 . . . . 20.0 110.198 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.26 -29.52 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.423 0.63 . . . . 20.0 109.682 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.2 t -70.99 -39.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.447 -0.797 . . . . 20.0 109.767 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.99 -42.59 72.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.614 -0.721 . . . . 20.0 109.918 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 27.4 mmt180 -62.88 -40.94 99.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.619 -0.718 . . . . 20.0 110.698 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -67.23 -39.67 86.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.959 -0.564 . . . . 20.0 111.073 -177.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.2 mtm -82.92 -21.47 34.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.394 -0.366 . . . . 20.0 111.412 -176.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.32 71.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 20.0 112.137 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.93 -22.82 64.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.525 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.0 mtm105 -87.54 -41.35 13.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.891 0.376 . . . . 20.0 110.205 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -67.9 -10.2 51.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 20.0 111.075 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -59.9 -26.17 65.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.981 176.135 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.42 -35.6 40.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.113 0.482 . . . . 20.0 110.278 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -82.94 -25.27 32.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.575 . . . . 20.0 111.306 -175.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 22.9 ptt180 -66.32 -20.44 66.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.242 0.544 . . . . 20.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -76.53 -44.74 33.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.056 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.81 53.02 1.21 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.395 0.617 . . . . 20.0 111.081 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.435 ' CD ' ' HA ' ' A' ' 57' ' ' ARG . 16.9 ptm180 -152.13 162.12 41.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.464 -0.789 . . . . 20.0 109.018 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.7 m -125.96 128.88 48.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.84 0.352 . . . . 20.0 110.927 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -150.36 138.68 20.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.042 -0.526 . . . . 20.0 109.77 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.691 -0.671 . . . . 20.0 109.6 -179.272 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.739 0.304 . . . . 20.0 110.219 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -90.21 164.97 14.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.354 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -125.34 79.55 1.81 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.217 0.532 . . . . 20.0 110.586 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -74.62 -44.65 49.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.469 -0.787 . . . . 20.0 109.36 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -82.15 153.48 25.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.349 -0.841 . . . . 20.0 109.661 178.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.551 ' HB2' ' HB2' ' A' ' 2' ' ' ASN . 5.5 m-20 -74.88 -41.18 60.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.787 -0.642 . . . . 20.0 111.044 -173.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 17.2 t70 54.44 -87.32 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.204 0.94 . . . . 20.0 112.331 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -75.4 -22.53 57.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.072 0.463 . . . . 20.0 110.519 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -92.14 1.13 57.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.005 -0.543 . . . . 20.0 109.907 176.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.551 ' HB2' ' HB2' ' A' ' -2' ' ' ASP . 9.8 t30 -102.21 -50.14 3.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.683 -0.69 . . . . 20.0 111.179 -177.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.97 -67.93 0.6 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.827 -0.624 . . . . 20.0 111.614 -171.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.89 160.54 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.067 -0.345 . . . . 20.0 110.067 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.429 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 97.1 mt 56.8 55.99 5.8 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.448 0.468 . . . . 20.0 111.045 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -83.85 109.71 20.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.47 -0.567 . . . . 20.0 109.47 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.429 ' HD3' ' O ' ' A' ' 5' ' ' LEU . 92.5 Cg_endo -82.92 140.01 9.95 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.431 2.087 . . . . 20.0 112.186 -177.66 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.6 ptm -80.26 111.79 16.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.542 -0.54 . . . . 20.0 109.542 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 67.6 t 69.77 106.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 115.705 -0.679 . . . . 20.0 110.287 -175.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.2 m -62.47 106.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 20.0 111.92 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -114.04 144.02 43.8 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.296 -0.631 . . . . 20.0 109.296 171.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -96.57 -27.53 14.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.444 -0.343 . . . . 20.0 111.371 -173.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -153.59 -57.33 0.12 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.857 0.318 . . . . 20.0 111.857 -175.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m 61.68 97.93 0.03 OUTLIER 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.318 0.58 . . . . 20.0 110.766 -176.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.459 HD13 ' N ' ' A' ' 15' ' ' ILE . 4.1 mp -80.28 94.69 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.92 -0.582 . . . . 20.0 109.89 -177.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.467 ' HA ' ' ND2' ' A' ' 19' ' ' ASN . 8.4 mm-40 -62.28 -32.42 73.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.921 -178.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -61.9 -30.06 70.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 20.0 110.553 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' H ' HG23 ' A' ' 15' ' ' ILE . 8.8 tp10 -91.32 -58.54 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.2 -0.455 . . . . 20.0 111.713 -178.015 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.467 ' ND2' ' HA ' ' A' ' 16' ' ' GLU . 9.6 p30 -66.71 -20.29 65.94 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.17 0.433 . . . . 20.0 112.17 -168.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.4 m -73.79 -29.71 62.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 20.0 110.461 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.655 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 23.2 m-85 -90.38 -36.74 14.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 20.0 110.178 178.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -66.23 -20.53 66.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.669 -0.696 . . . . 20.0 110.72 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -58.41 -57.09 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.526 -0.306 . . . . 20.0 111.306 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -73.67 -20.11 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.987 0.422 . . . . 20.0 111.01 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -75.86 -27.69 57.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.27 0.557 . . . . 20.0 109.843 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -86.09 -37.41 18.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 20.0 110.11 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.49 -1.04 25.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.571 . . . . 20.0 111.757 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.506 ' HA ' ' O ' ' A' ' 31' ' ' THR . 23.1 pttm -64.63 -16.56 62.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 20.0 110.815 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.1 p -73.54 -19.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 20.0 110.714 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.15 -38.68 6.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.223 0.535 . . . . 20.0 109.851 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 92.8 m -145.34 109.54 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.533 -0.758 . . . . 20.0 109.582 175.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.4 m -78.48 61.03 2.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.005 0.431 . . . . 20.0 110.954 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt 59.51 -88.73 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.213 -0.903 . . . . 20.0 111.761 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.56 86.13 2.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.99 0.424 . . . . 20.0 110.197 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -118.54 123.18 29.4 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.112 -0.495 . . . . 20.0 110.297 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -72.45 -24.22 19.42 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.223 1.948 . . . . 20.0 111.465 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.456 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 15.7 tpt180 -179.26 -55.01 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.31 -0.859 . . . . 20.0 109.84 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.456 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 73.8 Cg_endo -73.24 153.63 51.21 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.872 1.715 . . . . 20.0 111.775 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.69 94.62 8.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.784 0.326 . . . . 20.0 110.324 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.5 mp -64.22 123.95 84.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.929 179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.49 120.05 7.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.781 2.321 . . . . 20.0 112.335 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -63.8 -20.03 65.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.391 -0.368 . . . . 20.0 110.595 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -60.27 -32.16 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 20.0 110.977 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.91 -38.85 87.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.389 . . . . 20.0 110.434 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.3 t -68.75 -46.33 79.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.912 -0.585 . . . . 20.0 110.317 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.69 -33.15 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.434 -0.803 . . . . 20.0 110.394 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.625 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 74.7 ttt180 -65.74 -43.93 87.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 20.0 109.855 176.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -59.37 -35.54 74.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.521 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.1 mtt -74.35 -38.94 63.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.868 -0.606 . . . . 20.0 110.227 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.65 71.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 20.0 111.076 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.625 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 9.7 mm-40 -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.812 -0.631 . . . . 20.0 110.271 176.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -79.84 -44.87 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 20.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.639 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 63.7 m-85 -66.26 -21.85 66.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 20.0 110.749 178.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.49 72.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 20.0 111.186 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -69.18 -38.15 78.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.097 0.475 . . . . 20.0 110.529 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.2 mtp -80.16 -16.28 55.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.766 -0.652 . . . . 20.0 110.373 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -88.56 -0.45 57.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.532 -0.758 . . . . 20.0 110.303 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -80.13 59.21 3.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.086 -0.506 . . . . 20.0 111.067 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -99.0 131.14 45.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.878 -0.601 . . . . 20.0 109.737 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -75.84 -6.83 52.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.559 0.219 . . . . 20.0 111.059 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.4 t -63.87 105.99 0.93 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.6 -0.518 . . . . 20.0 109.6 175.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.523 ' HB2' ' HZ3' ' A' ' 62' ' ' LYS . 9.7 mtmp? -132.87 79.93 1.87 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.994 -0.548 . . . . 20.0 109.58 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 C--O 1.251 1.153 0 O-C-N 124.031 0.832 . . . . 20.0 110.24 -179.115 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -7' ' ' MET . . . . . 0.456 ' SD ' ' N ' ' A' ' -7' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.294 -0.632 . . . . 20.0 109.294 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' A' ' -5' ' ' TYR . 3.8 m-20 69.95 134.42 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 O-C-N 124.058 0.849 . . . . 20.0 109.931 -171.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 0.483 ' HB3' ' O ' ' A' ' -6' ' ' ASP . 50.3 t80 73.83 -51.9 0.69 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.054 0.542 . . . . 20.0 110.263 -172.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -163.79 155.78 17.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.769 -0.456 . . . . 20.0 109.769 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -101.91 66.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.516 0.674 . . . . 20.0 110.667 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -79.61 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.754 -0.657 . . . . 20.0 111.149 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 37.2 t70 57.29 55.95 5.48 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.863 0.84 . . . . 20.0 108.872 -170.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -67.77 -26.89 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.919 -1.037 . . . . 20.0 111.321 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -77.55 -17.45 57.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.15 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 70.39 100.9 0.06 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.422 -0.808 . . . . 20.0 111.12 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -97.25 26.33 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 20.0 110.753 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.08 28.44 5.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.131 -177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 58.73 50.74 8.4 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.448 0.642 . . . . 20.0 110.865 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 p -158.4 113.96 1.71 Allowed Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.202 -0.908 . . . . 20.0 109.73 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.81 -51.65 9.24 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.321 2.681 . . . . 20.0 112.334 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.8 mmt 56.26 44.0 25.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.374 0.607 . . . . 20.0 111.256 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -116.94 9.0 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.697 -0.853 . . . . 20.0 108.697 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t 60.59 40.11 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.64 -1.164 . . . . 20.0 110.02 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -97.0 53.13 1.18 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.575 -0.739 . . . . 20.0 110.265 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.651 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 18.9 p90 -64.38 -55.68 19.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.468 178.522 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -148.8 67.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.072 0.463 . . . . 20.0 110.152 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 t -150.09 87.35 1.46 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.842 0.83 . . . . 20.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.487 HD13 ' N ' ' A' ' 15' ' ' ILE . 4.1 mp -99.83 127.75 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.499 -0.773 . . . . 20.0 110.328 -176.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.52 -44.72 89.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.599 -0.728 . . . . 20.0 110.661 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 36.2 tt0 -67.72 -36.06 79.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.964 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' CB ' ' HB ' ' A' ' 15' ' ' ILE . 37.1 tt0 -65.6 -40.16 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 20.0 110.367 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -70.39 -26.75 63.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 20.0 110.708 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -66.83 -35.69 80.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.388 -0.597 . . . . 20.0 109.388 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.403 ' CE2' ' HG2' ' A' ' 17' ' ' GLN . 29.5 m-85 -72.45 -36.56 68.55 Favored 'General case' 0 CA--C 1.523 -0.073 0 CA-C-N 116.364 -0.38 . . . . 20.0 110.03 174.211 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.506 ' HB3' ' SD ' ' A' ' 49' ' ' MET . 93.4 m-20 -58.35 -39.31 79.17 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.984 -0.553 . . . . 20.0 110.957 178.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -63.55 -35.0 79.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.946 0.403 . . . . 20.0 110.492 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -72.77 -40.16 66.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 20.0 110.453 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.2 -39.29 93.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.305 0.574 . . . . 20.0 109.809 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.512 ' O ' HG13 ' A' ' 29' ' ' VAL . 71.6 ttt180 -67.01 -32.72 74.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.301 -0.863 . . . . 20.0 110.705 178.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.11 71.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.824 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -82.27 -24.69 34.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.706 -0.679 . . . . 20.0 111.959 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 26' ' ' ARG . 8.8 p -81.02 -18.43 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.26 0.553 . . . . 20.0 110.632 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.02 29.36 7.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 20.0 111.163 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 m -85.02 57.53 4.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.33 0.586 . . . . 20.0 110.881 -177.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.7 m -156.55 141.9 17.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.93 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -77.46 63.88 2.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.175 0.512 . . . . 20.0 110.509 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.43 -158.44 0.59 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.626 -0.716 . . . . 20.0 110.118 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -59.06 141.31 86.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.787 0.327 . . . . 20.0 110.757 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.23 127.11 22.89 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.04 2.493 . . . . 20.0 112.658 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -81.58 132.63 54.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.845 -0.616 . . . . 20.0 109.425 175.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -68.67 149.77 73.85 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.887 2.391 . . . . 20.0 112.433 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.44 70.26 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.389 0.614 . . . . 20.0 110.787 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.0 pt -89.33 138.82 28.47 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.618 -0.719 . . . . 20.0 110.711 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_exo -61.28 152.5 71.84 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.796 2.331 . . . . 20.0 111.459 176.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -65.15 -16.29 63.34 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.329 -0.396 . . . . 20.0 111.479 -176.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.98 -23.76 65.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.168 0.509 . . . . 20.0 110.336 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.16 -47.11 12.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 20.0 110.267 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.4 t -64.51 -31.23 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.246 -0.888 . . . . 20.0 110.785 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -46.67 -42.54 16.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.758 -0.655 . . . . 20.0 111.15 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.573 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 30.6 ttp180 -77.61 -49.29 14.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.688 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -61.79 -40.67 96.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.934 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.506 ' SD ' ' HB3' ' A' ' 22' ' ' ASN . 53.4 ttm -65.93 -38.72 89.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.814 0.34 . . . . 20.0 110.173 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.49 94.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 20.0 110.573 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.573 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 55.7 mt-10 -65.61 -45.12 84.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 20.0 110.373 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.522 ' O ' ' HG2' ' A' ' 56' ' ' MET . 56.4 ttp180 -65.41 -32.69 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 20.0 111.137 -178.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.661 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 89.6 t80 -57.04 -49.61 75.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.006 0.432 . . . . 20.0 110.395 177.511 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.89 -22.21 53.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.49 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 24.4 ttpp -72.08 -23.62 61.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.189 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.522 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 92.9 mmm -75.58 -13.32 60.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 20.0 110.361 176.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -94.7 -58.72 2.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 20.0 109.599 174.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.459 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -132.3 133.3 43.89 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.315 -0.994 . . . . 20.0 108.315 177.2 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -127.25 -56.25 1.33 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.015 0.435 . . . . 20.0 111.328 -175.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -112.95 154.16 26.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 20.0 110.562 -172.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 m -72.53 89.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.941 -0.572 . . . . 20.0 111.114 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -67.2 138.53 57.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.217 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.457 -0.783 . . . . 20.0 109.612 -179.342 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.691 0.281 . . . . 20.0 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -124.68 -82.02 0.64 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 20.0 110.559 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -164.71 168.37 18.04 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.206 -0.665 . . . . 20.0 109.206 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 61.87 63.02 1.17 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.758 0.79 . . . . 20.0 109.836 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -92.19 52.28 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.327 -0.851 . . . . 20.0 111.354 -174.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.71 -37.71 87.6 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.491 0.662 . . . . 20.0 110.218 174.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -96.7 80.46 3.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.486 -0.779 . . . . 20.0 109.733 174.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -86.37 1.32 51.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.463 -0.79 . . . . 20.0 109.756 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -78.93 -8.85 59.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.472 -0.785 . . . . 20.0 110.172 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -56.66 134.7 54.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.286 -0.87 . . . . 20.0 110.07 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -78.37 -14.88 59.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.932 0.396 . . . . 20.0 110.899 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 63.72 19.85 11.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.48 -0.782 . . . . 20.0 111.674 178.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tt -87.06 72.04 10.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.437 0.637 . . . . 20.0 109.521 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 m -153.21 92.18 3.28 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.771 -0.65 . . . . 20.0 110.3 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.65 -45.78 13.1 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.593 2.195 . . . . 20.0 111.442 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.2 tpp 49.99 75.54 0.17 Allowed 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.923 0.765 . . . . 20.0 111.527 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 p -133.87 106.74 9.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.552 0.692 . . . . 20.0 109.912 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.2 p -120.71 64.28 0.85 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.566 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -100.06 37.43 1.65 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.968 -0.56 . . . . 20.0 109.854 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.664 ' HD1' ' CD2' ' A' ' 12' ' ' PHE . 21.0 p90 -63.41 127.07 29.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.367 -0.833 . . . . 20.0 110.515 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -94.26 40.32 1.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.236 0.541 . . . . 20.0 110.038 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 p -134.23 67.95 1.5 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.414 -0.812 . . . . 20.0 110.938 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.462 HG23 ' H ' ' A' ' 17' ' ' GLN . 80.7 mt -97.63 133.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.526 -0.761 . . . . 20.0 109.578 177.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HA ' HD22 ' A' ' 19' ' ' ASN . 48.0 mt-10 -61.1 -27.91 68.71 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.974 -0.557 . . . . 20.0 111.502 -175.367 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.462 ' H ' HG23 ' A' ' 15' ' ' ILE . 97.0 mt-30 -71.37 -12.43 61.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.904 -0.589 . . . . 20.0 110.961 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' HG3' ' HB ' ' A' ' 15' ' ' ILE . 46.9 mt-10 -90.46 -48.72 6.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.807 0.337 . . . . 20.0 110.37 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.535 ' HA ' ' HB3' ' A' ' 22' ' ' ASN . 2.8 p30 -76.01 -15.67 60.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.265 -0.425 . . . . 20.0 112.072 -176.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 p -64.87 -47.39 78.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.01 0.434 . . . . 20.0 110.276 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.667 ' HE1' ' CE2' ' A' ' 21' ' ' TYR . 98.3 m-85 -80.84 -21.97 40.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.762 178.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.535 ' HB3' ' HA ' ' A' ' 19' ' ' ASN . 27.9 t-20 -70.22 -23.06 62.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.218 176.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.94 -33.33 74.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.78 -0.645 . . . . 20.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -70.7 -36.91 73.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 20.0 109.712 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.3 -37.5 87.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.966 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -62.47 -39.23 92.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.425 -0.807 . . . . 20.0 110.417 175.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.27 -34.49 70.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 20.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.76 -46.46 82.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.752 -0.658 . . . . 20.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.62 -30.06 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.004 0.43 . . . . 20.0 110.713 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.0 76.95 9.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.261 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.8 t -68.92 140.74 55.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 20.0 111.017 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 m -88.38 5.17 43.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.415 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.78 8.68 44.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 20.0 110.376 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.27 137.64 53.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.634 . . . . 20.0 110.139 177.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 14.4 m-20 -73.7 126.97 89.26 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 20.0 110.739 -176.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 6.1 Cg_exo -77.89 55.05 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.847 2.365 . . . . 20.0 111.412 175.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -129.85 99.1 20.67 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.681 -0.69 . . . . 20.0 110.274 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -67.13 110.12 1.9 Allowed 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.494 2.129 . . . . 20.0 112.522 -178.095 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.519 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -154.67 144.99 22.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.743 -0.662 . . . . 20.0 109.766 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.4 mt -103.47 101.26 22.28 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.852 0.358 . . . . 20.0 111.063 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.519 ' HD3' ' O ' ' A' ' 39' ' ' ALA . 88.1 Cg_endo -92.19 158.4 3.18 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.223 2.615 . . . . 20.0 112.003 175.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -73.22 -21.13 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.793 -0.447 . . . . 20.0 109.793 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.41 -37.23 85.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.643 -0.708 . . . . 20.0 110.498 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.79 -45.75 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.609 -178.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.505 ' O ' ' HG2' ' A' ' 49' ' ' MET . 47.7 t -65.95 -42.87 92.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.113 -0.494 . . . . 20.0 110.098 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.43 -48.7 79.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.623 -0.717 . . . . 20.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -65.85 -36.38 83.29 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.01 -0.276 . . . . 20.0 110.6 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.1 mmm180 -62.1 -40.07 94.6 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 121.259 -0.176 . . . . 20.0 110.718 179.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 26.4 mmt -57.86 -36.76 72.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 20.0 110.94 178.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.19 -52.07 7.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.064 -0.517 . . . . 20.0 111.125 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.456 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 53.1 mt-10 -64.84 -33.41 75.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.246 -0.433 . . . . 20.0 111.709 -174.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -61.28 -32.54 72.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.144 0.497 . . . . 20.0 110.296 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -90.06 -41.75 11.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.808 -0.633 . . . . 20.0 110.298 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.35 77.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 20.0 111.796 -177.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.456 ' HD3' ' O ' ' A' ' 51' ' ' GLU . 5.7 mptp? -61.27 -24.9 66.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.507 -0.315 . . . . 20.0 111.089 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.7 ttp -81.01 -47.14 14.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.882 0.372 . . . . 20.0 110.518 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -67.61 -40.37 84.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 20.0 110.765 -177.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm 57.79 69.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.275 0.56 . . . . 20.0 110.624 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -71.19 -26.89 63.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.5 -0.773 . . . . 20.0 110.231 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -62.69 -65.03 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.586 -0.733 . . . . 20.0 110.256 178.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 m -155.31 123.74 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.841 -0.618 . . . . 20.0 109.659 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.482 ' HG3' ' H ' ' A' ' 63' ' ' GLN . 17.8 ptmt -112.13 -51.28 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.642 0.258 . . . . 20.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.482 ' H ' ' HG3' ' A' ' 62' ' ' LYS . 21.5 mm-40 . . . . . 0 C--O 1.245 0.821 0 N-CA-C 109.01 -0.737 . . . . 20.0 109.01 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.336 0.112 . . . . 20.0 110.931 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -79.66 -51.96 8.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 20.0 111.162 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.659 ' HE1' ' CE2' ' A' ' -5' ' ' TYR . 77.6 m-85 -77.33 90.84 3.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.995 -0.548 . . . . 20.0 109.882 -178.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -94.16 4.13 54.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.911 -0.586 . . . . 20.0 110.397 -175.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.53 130.73 36.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.919 -0.582 . . . . 20.0 109.777 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -87.46 -47.23 8.92 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.867 -0.79 . . . . 20.0 108.867 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -165.39 79.43 0.31 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.061 -0.972 . . . . 20.0 109.48 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -90.61 -50.74 5.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.068 0.461 . . . . 20.0 110.174 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -93.09 -61.68 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 20.0 109.645 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.5 t30 178.33 86.78 0.01 OUTLIER 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.91 0.756 . . . . 20.0 109.833 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -110.44 -19.36 12.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.336 0.589 . . . . 20.0 109.643 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.97 59.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mp -122.8 54.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 20.0 110.943 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -80.37 136.87 52.45 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.219 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -81.83 64.93 8.56 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.686 2.257 . . . . 20.0 112.576 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -72.99 149.9 42.9 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.849 -0.426 . . . . 20.0 109.849 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.3 t -118.28 107.38 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.674 0.273 . . . . 20.0 110.553 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 m 60.47 49.13 7.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.614 -0.721 . . . . 20.0 110.352 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -133.77 55.91 1.87 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.397 -0.82 . . . . 20.0 110.269 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -70.3 129.05 38.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.164 -0.471 . . . . 20.0 110.703 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.04 152.8 42.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.158 -0.682 . . . . 20.0 109.158 177.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -116.57 87.03 2.61 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.086 0.469 . . . . 20.0 111.005 -175.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -94.75 113.36 29.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.48 -0.563 . . . . 20.0 109.48 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.99 -29.74 65.5 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.827 0.677 . . . . 20.0 112.827 -169.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.83 -57.63 9.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.585 0.231 . . . . 20.0 110.962 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -75.83 -31.51 59.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 20.0 110.979 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.426 HD21 ' N ' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -75.24 -12.22 60.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.101 -0.499 . . . . 20.0 111.792 -177.289 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.2 p -48.97 -44.34 40.81 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.72 0.295 . . . . 20.0 111.251 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -68.34 -38.88 81.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.004 0.43 . . . . 20.0 110.55 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -64.57 -31.92 73.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.782 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.39 -41.45 97.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.066 0.46 . . . . 20.0 110.051 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -66.09 -38.83 89.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.795 -0.639 . . . . 20.0 110.059 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.466 ' O ' HG21 ' A' ' 29' ' ' VAL . 98.6 mt -64.84 -41.95 95.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 20.0 109.969 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.31 -41.91 90.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.654 -0.703 . . . . 20.0 110.268 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.9 -29.32 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 20.0 111.256 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' HZ2' ' HB3' ' A' ' 28' ' ' LYS . 8.9 mtpm? -80.67 -21.18 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.178 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.466 HG21 ' O ' ' A' ' 25' ' ' LEU . 71.7 t -96.97 -55.9 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 111.982 0.364 . . . . 20.0 111.982 -175.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.58 150.42 34.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.962 0.411 . . . . 20.0 111.243 -172.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 m -101.73 -22.73 14.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.402 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -98.59 -77.39 0.51 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.148 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -121.8 124.7 44.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.71 -0.223 . . . . 20.0 110.46 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.02 -23.31 13.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.813 0.34 . . . . 20.0 111.278 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -126.97 84.19 64.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.388 -0.369 . . . . 20.0 110.418 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.97 133.8 26.04 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.541 2.161 . . . . 20.0 112.144 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.2 mmt180 -91.57 150.42 41.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.281 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 37' ' ' ARG . 2.7 Cg_exo -74.96 70.13 5.34 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.848 2.366 . . . . 20.0 111.599 176.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.62 131.43 35.5 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.46 -0.791 . . . . 20.0 110.365 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.6 pt -93.28 142.25 25.03 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.471 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.58 120.0 7.62 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.522 2.148 . . . . 20.0 110.866 174.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -60.53 -19.98 58.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.735 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.23 -23.29 63.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.645 0.26 . . . . 20.0 110.973 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -71.24 -27.51 63.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.474 0.654 . . . . 20.0 109.736 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 49' ' ' MET . 76.3 t -69.59 -44.48 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.477 -0.783 . . . . 20.0 109.703 176.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.05 -33.89 76.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.491 -0.777 . . . . 20.0 110.38 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -60.78 -38.36 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.596 -0.729 . . . . 20.0 110.677 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -78.03 -28.04 48.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 20.0 110.71 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.3 mmt -62.82 -24.92 68.0 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.078 -0.51 . . . . 20.0 111.589 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.79 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 20.0 111.86 -177.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.05 -33.8 74.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.754 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -63.78 -44.6 92.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.287 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.635 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 48.3 m-85 -71.54 -34.29 69.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.96 178.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.26 94.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.913 0.387 . . . . 20.0 110.814 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.529 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -72.6 -30.1 64.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.33 -0.395 . . . . 20.0 110.814 178.125 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.7 ttm -75.03 -28.52 60.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.282 -0.417 . . . . 20.0 110.652 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -62.22 -42.37 99.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.809 -0.632 . . . . 20.0 110.354 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 53.35 58.35 5.32 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.036 0.446 . . . . 20.0 110.798 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -82.2 44.41 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.858 0.837 . . . . 20.0 110.094 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -93.68 69.33 4.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.829 -1.078 . . . . 20.0 109.927 -177.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -71.31 -19.35 62.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.206 0.527 . . . . 20.0 110.778 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -94.23 45.88 1.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.037 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 . . . . . 0 C--O 1.249 1.061 0 CA-C-N 115.555 -0.748 . . . . 20.0 110.342 -178.941 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.974 0.416 . . . . 20.0 110.943 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -116.69 161.13 19.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.322 -0.399 . . . . 20.0 110.795 177.768 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -116.99 154.16 31.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.136 -179.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 72.15 -44.03 0.58 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.549 0.74 . . . . 20.0 111.878 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -73.36 0.75 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.051 0.453 . . . . 20.0 110.665 175.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.78 -35.54 63.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.341 -0.845 . . . . 20.0 111.262 177.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -79.64 96.44 6.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.001 -0.545 . . . . 20.0 111.094 -179.531 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -90.63 0.64 57.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.94 -0.573 . . . . 20.0 109.66 174.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.66 -50.83 22.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.473 -0.785 . . . . 20.0 111.117 -173.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -71.54 -11.89 61.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.36 0.6 . . . . 20.0 110.379 -179.325 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -105.94 11.92 31.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.057 -0.52 . . . . 20.0 110.626 176.136 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.56 31.08 1.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.281 0.562 . . . . 20.0 110.569 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.49 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 10.0 mp -97.71 69.38 2.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.778 -0.646 . . . . 20.0 109.908 178.93 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -90.67 107.92 23.75 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.048 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 5' ' ' LEU . 51.8 Cg_exo -55.63 -33.79 88.22 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.665 2.244 . . . . 20.0 111.449 177.88 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 tpt 51.54 52.73 14.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.3 0.571 . . . . 20.0 110.424 174.536 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 m -98.74 36.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.591 0.71 . . . . 20.0 111.059 -177.153 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 p -82.43 104.93 13.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.333 -0.849 . . . . 20.0 109.686 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -83.67 106.45 15.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.846 -176.059 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -117.5 13.69 14.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.194 0.521 . . . . 20.0 109.871 175.173 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -151.78 30.09 0.59 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.253 -0.885 . . . . 20.0 111.093 -177.155 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 45.2 p 49.54 72.96 0.27 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.333 -0.849 . . . . 20.0 112.416 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.9 mt -74.39 -28.27 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.363 0.601 . . . . 20.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -49.74 -27.14 4.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.966 -1.016 . . . . 20.0 112.989 178.608 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -61.45 -36.75 81.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.666 0.269 . . . . 20.0 111.302 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.32 -26.66 56.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.543 0.211 . . . . 20.0 111.027 -178.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -84.06 -15.23 48.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.366 0.603 . . . . 20.0 110.297 177.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.2 t -71.89 -10.55 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.389 -0.823 . . . . 20.0 111.58 -177.781 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -54.11 -30.24 47.95 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 111.906 0.335 . . . . 20.0 111.906 -176.11 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.7 -41.36 97.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 20.0 110.902 178.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -83.34 -32.36 26.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.119 0.485 . . . . 20.0 109.994 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -65.78 -35.64 81.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.319 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.444 ' O ' HG21 ' A' ' 29' ' ' VAL . 1.3 tm? -63.18 -36.57 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.561 -0.533 . . . . 20.0 109.561 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -60.73 -37.03 80.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.242 0.544 . . . . 20.0 110.232 177.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.619 ' HA ' ' OG1' ' A' ' 31' ' ' THR . . . -70.43 -28.47 65.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.698 -0.683 . . . . 20.0 110.879 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.455 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 1.9 tpmt? -82.78 -27.48 30.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.771 -0.649 . . . . 20.0 110.633 -178.255 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.444 HG21 ' O ' ' A' ' 25' ' ' LEU . 92.8 t -66.78 -66.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 110.217 -0.29 . . . . 20.0 110.217 176.334 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.0 -31.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.99 0.424 . . . . 20.0 111.012 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.619 ' OG1' ' HA ' ' A' ' 27' ' ' ALA . 1.9 m 63.08 26.17 15.28 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.373 -0.83 . . . . 20.0 110.46 179.261 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.4 p 48.52 37.22 8.66 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.581 -0.736 . . . . 20.0 111.622 -174.578 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 31' ' ' THR . 88.1 mt -113.91 113.97 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.888 -0.596 . . . . 20.0 109.997 178.702 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 59.15 31.11 20.99 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.742 0.651 . . . . 20.0 111.026 -179.041 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -105.04 130.75 22.59 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.553 -0.749 . . . . 20.0 109.477 179.602 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.79 -21.91 65.69 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.103 2.535 . . . . 20.0 113.175 -176.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 55.01 81.07 0.27 Allowed Pre-proline 0 C--O 1.236 0.353 0 O-C-N 123.302 0.376 . . . . 20.0 111.473 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.29 161.42 16.75 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.852 2.368 . . . . 20.0 111.664 178.017 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.54 108.9 0.17 Allowed 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.7 0.625 . . . . 20.0 111.573 -177.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.9 mt -74.95 121.94 86.38 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.372 -0.831 . . . . 20.0 110.791 -175.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.3 133.89 60.27 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.554 2.17 . . . . 20.0 111.001 174.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.479 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 62.1 t60 -66.94 -28.21 68.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.695 -0.23 . . . . 20.0 111.116 -173.279 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.56 -28.9 64.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.083 0.468 . . . . 20.0 109.978 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.528 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 28.5 tt0 -77.93 -32.41 51.59 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.853 -0.612 . . . . 20.0 110.129 179.189 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.493 ' O ' ' HG2' ' A' ' 49' ' ' MET . 98.1 t -56.88 -49.59 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.819 -0.438 . . . . 20.0 109.819 174.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 5.7 mm-40 -57.29 -39.36 75.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.536 -0.757 . . . . 20.0 110.343 177.581 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -67.89 -44.87 76.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.822 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 90.8 mtt180 -60.76 -35.33 76.13 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.106 -179.274 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.493 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.9 mmt -57.25 -32.13 66.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 20.0 111.831 -176.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.21 91.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.919 0.39 . . . . 20.0 110.83 177.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.92 -21.8 40.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.365 0.602 . . . . 20.0 110.127 179.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.51 ' O ' ' HG2' ' A' ' 56' ' ' MET . 57.9 ttt180 -66.12 -22.78 66.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.349 -0.841 . . . . 20.0 111.058 -175.191 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.623 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 59.7 m-85 -60.25 -36.2 77.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.023 0.439 . . . . 20.0 110.282 174.859 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.77 -32.56 23.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.048 -0.524 . . . . 20.0 110.01 175.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' CB ' ' HA ' ' A' ' 52' ' ' ARG . 14.7 tppt? -57.34 -37.7 72.97 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.599 -0.728 . . . . 20.0 110.657 178.561 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.51 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 24.6 mmt -57.82 -29.21 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 20.0 111.414 -179.528 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -82.75 -22.19 34.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.331 -0.395 . . . . 20.0 111.65 -174.184 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -159.34 60.8 0.39 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.435 0.636 . . . . 20.0 110.707 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.0 -21.65 40.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.6 0.714 . . . . 20.0 109.16 175.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -142.4 158.42 43.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.514 -1.221 . . . . 20.0 109.231 -177.547 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -92.77 -16.44 25.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.534 -0.303 . . . . 20.0 111.293 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -178.56 -37.82 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.962 0.41 . . . . 20.0 110.593 177.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.776 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.666 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.541 0.21 . . . . 20.0 111.455 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -115.42 -1.17 12.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 20.0 111.393 -175.04 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.609 ' HD2' ' CD1' ' A' ' -5' ' ' TYR . 55.0 p90 -129.03 146.81 50.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.867 0.365 . . . . 20.0 111.017 -178.65 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.535 ' HB2' ' HZ3' ' A' ' -4' ' ' LYS . 9.8 mtmp? -118.12 -0.36 11.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.602 0.715 . . . . 20.0 109.675 176.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.91 144.96 48.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.151 -0.931 . . . . 20.0 109.712 179.439 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.97 -32.28 73.76 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.97 -0.559 . . . . 20.0 110.574 178.594 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 21.9 t70 32.46 -79.5 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 O-C-N 125.373 1.671 . . . . 20.0 114.857 167.746 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.94 -25.25 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.929 0.491 . . . . 20.0 112.049 -176.606 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -92.67 1.23 57.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.5 -0.318 . . . . 20.0 111.755 -178.584 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -75.25 71.57 2.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.061 0.458 . . . . 20.0 111.231 -179.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -72.48 -19.39 61.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.371 0.605 . . . . 20.0 109.861 179.242 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.44 -32.39 58.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.418 -0.81 . . . . 20.0 110.646 176.013 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 67.5 tp -81.6 -48.48 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.033 178.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -115.91 99.47 52.61 Favored Pre-proline 0 N--CA 1.446 -0.674 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.137 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.92 -40.85 82.59 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.577 2.185 . . . . 20.0 111.162 176.307 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.5 ttm -100.37 106.08 17.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.61 -0.723 . . . . 20.0 109.43 173.274 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.71 129.15 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.79 -178.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -70.43 114.97 9.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.547 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -100.55 162.5 12.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.96 0.409 . . . . 20.0 110.336 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.666 ' HD1' ' CD2' ' A' ' 12' ' ' PHE . 76.5 m-85 -91.05 29.69 1.34 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.066 178.546 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.1 114.4 4.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.687 -0.688 . . . . 20.0 109.998 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.8 m -150.94 116.59 5.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.196 -0.456 . . . . 20.0 110.152 -178.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 tp -70.64 148.25 10.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.84 -0.618 . . . . 20.0 110.409 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.78 -31.51 69.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.564 -0.744 . . . . 20.0 112.244 -175.907 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -73.1 -15.84 61.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.753 0.311 . . . . 20.0 110.826 -177.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -80.46 -39.97 27.11 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.815 -0.809 . . . . 20.0 108.815 174.222 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -64.17 -45.4 88.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.418 -0.81 . . . . 20.0 110.667 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 p -67.73 -40.56 84.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.376 -0.375 . . . . 20.0 111.143 -178.668 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.66 ' HE1' ' CE2' ' A' ' 21' ' ' TYR . 60.1 t80 -68.03 -35.95 79.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.993 -0.373 . . . . 20.0 109.993 178.584 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -69.81 -32.79 71.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.021 0.438 . . . . 20.0 110.151 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -64.92 -41.15 95.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 20.0 109.72 173.459 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -64.16 -41.87 96.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.617 -0.72 . . . . 20.0 110.08 175.373 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.04 -36.68 80.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.747 -0.66 . . . . 20.0 110.396 178.193 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -60.31 -38.93 85.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.587 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.48 67.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.205 0.526 . . . . 20.0 110.707 178.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -72.98 -43.76 61.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.61 -0.723 . . . . 20.0 110.172 177.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.64 -36.49 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.74 178.142 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.443 ' HA ' HD21 ' A' ' 33' ' ' LEU . . . -79.05 80.77 5.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.13 -0.486 . . . . 20.0 110.815 177.483 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.1 m -92.07 -34.95 14.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.157 -0.474 . . . . 20.0 111.381 -176.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.4 t -127.08 48.46 2.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.401 0.619 . . . . 20.0 110.256 -177.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 30' ' ' ALA . 4.1 mm? -110.82 96.55 6.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.6 -0.727 . . . . 20.0 109.963 179.153 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.83 172.97 12.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.769 -179.394 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -118.86 82.87 21.54 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.455 -0.339 . . . . 20.0 110.471 178.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.26 96.71 0.81 Allowed 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.433 2.088 . . . . 20.0 112.028 -178.779 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -140.63 83.95 14.28 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 121.355 0.598 . . . . 20.0 110.851 179.622 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.36 159.68 29.32 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.508 2.139 . . . . 20.0 112.539 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 69.01 -81.17 0.03 OUTLIER 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.446 -0.797 . . . . 20.0 112.263 176.323 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.6 pt -133.69 133.49 22.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 20.0 111.773 -173.055 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.26 144.79 33.64 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.645 2.23 . . . . 20.0 111.405 174.329 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -73.51 -10.74 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.36 . . . . 20.0 111.802 -174.272 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.2 -54.57 45.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.981 0.419 . . . . 20.0 111.394 -176.245 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -68.79 -33.82 74.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.963 -0.562 . . . . 20.0 111.003 -178.296 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.24 -50.3 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.736 -0.468 . . . . 20.0 109.736 176.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.29 -41.59 89.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.313 -0.858 . . . . 20.0 110.827 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.58 -55.06 39.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.942 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -67.47 -31.89 72.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.49 -0.323 . . . . 20.0 110.855 -178.463 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 54.2 tpp -67.98 -43.75 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.395 -0.366 . . . . 20.0 110.523 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.23 74.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 20.0 110.668 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.31 -26.42 68.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.969 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -65.12 -32.49 74.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.21 0.529 . . . . 20.0 110.391 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.451 ' O ' ' HG3' ' A' ' 56' ' ' MET . 73.8 t80 -90.52 -27.62 19.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.769 177.888 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.36 -48.74 11.55 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.295 -0.412 . . . . 20.0 111.786 -177.759 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.46 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 34.3 mmtp -80.31 0.1 34.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.256 -0.429 . . . . 20.0 111.946 -172.225 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.451 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 4.6 ppp? -80.11 -20.99 43.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.333 -0.617 . . . . 20.0 109.333 173.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' HA ' ' NE ' ' A' ' 57' ' ' ARG . 5.9 tpm_? -88.21 -42.11 12.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.611 -0.722 . . . . 20.0 110.006 176.882 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 22.0 pttp -149.17 129.01 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.069 -0.514 . . . . 20.0 109.975 176.219 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.75 61.19 6.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.102 0.477 . . . . 20.0 110.319 -179.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -152.5 137.78 17.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.838 -0.619 . . . . 20.0 109.815 -177.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m -99.66 -6.57 26.99 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.792 0.293 . . . . 20.0 111.792 -175.349 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -64.13 130.67 44.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.647 0.26 . . . . 20.0 110.677 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.66 -0.686 . . . . 20.0 110.111 -177.893 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.949 -0.389 . . . . 20.0 109.949 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -151.23 171.54 17.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.138 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.634 ' HD1' ' CD2' ' A' ' -5' ' ' TYR . 16.4 p90 -134.76 38.64 3.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.91 -0.587 . . . . 20.0 109.72 176.282 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -72.1 -27.23 62.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.603 -0.726 . . . . 20.0 110.817 -177.261 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.441 ' HA ' ' OD2' ' A' ' 0' ' ' ASP . 9.2 p-10 -96.35 33.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.29 0.567 . . . . 20.0 110.762 -179.046 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -72.13 -48.42 43.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.635 . . . . 20.0 111.103 -177.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.92 -43.99 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.054 -0.521 . . . . 20.0 111.494 -175.088 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . 0.441 ' OD2' ' HA ' ' A' ' -3' ' ' ASP . 3.6 p30 -73.64 -7.77 53.3 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.764 0.316 . . . . 20.0 111.358 -178.08 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -67.39 -29.87 69.51 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.526 -0.546 . . . . 20.0 109.526 173.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -95.98 70.62 2.88 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.18 -0.674 . . . . 20.0 109.18 177.745 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -103.53 10.18 37.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.34 -0.845 . . . . 20.0 110.5 -178.938 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.58 78.39 9.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.683 -0.69 . . . . 20.0 110.606 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.476 HD21 ' H ' ' A' ' 5' ' ' LEU . 2.6 pt? -107.86 147.12 31.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.011 -0.54 . . . . 20.0 109.853 177.402 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 t -84.48 120.06 73.78 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.512 -0.551 . . . . 20.0 109.512 177.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.07 92.45 0.64 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.502 2.135 . . . . 20.0 111.779 -179.625 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ptp -89.04 51.25 2.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.416 0.626 . . . . 20.0 110.845 -177.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.44 107.43 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.667 -0.697 . . . . 20.0 109.281 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -140.19 -10.34 1.12 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.889 0.329 . . . . 20.0 111.889 -176.761 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -88.07 128.04 35.41 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.064 -0.254 . . . . 20.0 110.463 179.315 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 t80 68.18 167.69 0.26 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.979 0.8 . . . . 20.0 110.111 -177.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 65.27 19.76 11.75 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.894 0.378 . . . . 20.0 110.844 -179.352 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.419 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 11.5 p -84.34 -177.72 6.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.055 -0.52 . . . . 20.0 111.248 -177.62 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.419 ' HB ' ' O ' ' A' ' 14' ' ' THR . 50.5 mm 75.68 -42.57 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 123.586 0.554 . . . . 20.0 110.989 179.092 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' H ' ' C ' ' A' ' 14' ' ' THR . 24.1 mm-40 -64.49 -18.98 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.827 -0.624 . . . . 20.0 111.756 -178.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -70.8 -27.8 64.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.964 0.411 . . . . 20.0 110.251 176.391 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.456 ' O ' ' HB3' ' A' ' 21' ' ' TYR . 43.1 mt-10 -86.35 -35.08 20.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.049 -0.523 . . . . 20.0 111.494 -172.998 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -78.96 -33.72 44.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.5 -0.48 . . . . 20.0 111.005 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -76.48 -14.06 60.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.149 0.499 . . . . 20.0 110.073 176.313 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.651 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 82.4 t80 -60.51 -29.56 69.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.463 -0.79 . . . . 20.0 110.433 177.601 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -66.33 -36.04 81.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.036 0.446 . . . . 20.0 110.181 176.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.91 -32.77 57.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 20.0 109.977 178.16 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 68.5 t-105 -62.34 -39.06 91.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 20.0 110.342 174.364 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.8 -46.04 89.84 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.131 -0.692 . . . . 20.0 109.131 175.744 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -58.92 -36.48 74.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.86 -0.609 . . . . 20.0 110.59 177.313 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.3 -44.79 90.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 20.0 111.13 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.79 -32.98 71.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.034 -0.53 . . . . 20.0 111.106 -177.758 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.9 t -82.39 -45.64 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 20.0 112.031 -177.133 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.38 -47.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.989 0.737 . . . . 20.0 112.989 -172.43 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 m -83.09 59.57 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.64 0.733 . . . . 20.0 111.223 -173.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 t -110.61 95.89 5.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.665 -0.698 . . . . 20.0 109.478 178.331 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.406 HD23 ' N ' ' A' ' 33' ' ' LEU . 2.8 mm? -83.81 -26.52 29.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.237 0.541 . . . . 20.0 109.659 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -126.84 151.4 48.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.081 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.409 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 4.3 p-10 -72.32 157.97 88.29 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.311 -0.625 . . . . 20.0 109.311 176.372 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 35' ' ' ASP . 55.3 Cg_endo -69.84 49.19 0.71 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.993 2.462 . . . . 20.0 113.431 -177.8 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.578 ' N ' ' HD2' ' A' ' 38' ' ' PRO . 65.2 ttt180 -71.17 -47.57 13.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.595 . . . . 20.0 111.546 175.455 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 37' ' ' ARG . 8.9 Cg_endo -50.85 112.95 0.88 Allowed 'Trans proline' 0 C--N 1.363 1.306 0 C-N-CA 122.42 2.08 . . . . 20.0 111.444 175.272 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.6 122.49 31.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.797 -0.638 . . . . 20.0 112.083 -171.305 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.509 ' HB ' ' HD2' ' A' ' 41' ' ' PRO . 17.0 pt -86.63 165.62 31.77 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.549 -0.75 . . . . 20.0 109.555 173.674 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.509 ' HD2' ' HB ' ' A' ' 40' ' ' ILE . 41.0 Cg_exo -37.66 135.77 0.48 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.118 2.545 . . . . 20.0 113.076 176.98 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -61.96 -28.57 69.64 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.719 -0.673 . . . . 20.0 111.861 -171.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.25 -25.8 66.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 20.0 110.708 -179.661 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -81.87 -45.68 15.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 20.0 110.151 178.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -61.42 -53.11 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 20.0 111.379 -176.337 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.07 -27.06 68.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.897 -0.592 . . . . 20.0 111.598 -176.507 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.3 ttp-105 -76.84 -29.11 55.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.086 0.47 . . . . 20.0 110.87 -177.217 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.67 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 2.4 mmp_? -90.62 -29.82 17.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 20.0 111.586 -179.32 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.4 mtt -82.31 -19.2 39.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.569 -0.287 . . . . 20.0 111.662 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.72 -58.72 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.353 0.408 . . . . 20.0 112.004 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.52 -29.27 64.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.219 -0.446 . . . . 20.0 111.518 -177.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -69.39 -32.77 72.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.932 0.396 . . . . 20.0 110.377 -179.334 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.5 -30.67 71.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.336 178.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.14 -40.25 82.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.902 -0.59 . . . . 20.0 110.513 177.206 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -71.49 -32.24 68.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.289 177.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.1 ttm -62.06 -26.47 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.699 -0.682 . . . . 20.0 110.658 178.436 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -64.05 -29.24 70.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.563 177.119 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -84.16 -20.59 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.302 0.572 . . . . 20.0 109.99 178.308 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -77.51 -10.43 59.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.655 -0.702 . . . . 20.0 111.088 -178.209 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -137.95 45.33 2.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.053 -0.521 . . . . 20.0 110.605 178.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.0 t -125.63 143.55 50.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.637 -179.122 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -100.23 99.07 9.7 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.903 -0.406 . . . . 20.0 109.903 175.702 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 C--O 1.245 0.823 0 CA-C-O 118.428 -0.796 . . . . 20.0 109.994 179.339 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.256 0.074 . . . . 20.0 111.006 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 55.21 47.68 21.11 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.298 0.374 . . . . 20.0 110.342 -176.93 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.599 ' HE1' ' CE2' ' A' ' -5' ' ' TYR . 63.5 t80 65.2 -82.66 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.379 -0.828 . . . . 20.0 110.362 -175.142 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -157.4 23.62 0.29 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.379 -0.971 . . . . 20.0 108.379 175.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -119.67 48.32 1.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.904 -1.044 . . . . 20.0 110.186 -177.769 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -77.35 -43.99 30.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 20.0 109.508 176.606 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . 0.447 ' HB3' ' HB3' ' A' ' 2' ' ' ASN . 57.9 m-20 -104.03 72.25 1.08 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.547 -0.751 . . . . 20.0 109.656 173.368 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -69.01 -30.42 68.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.925 -0.58 . . . . 20.0 111.07 -177.371 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -94.23 -47.59 6.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.602 179.773 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.447 ' HB3' ' HB3' ' A' ' -1' ' ' ASP . 8.4 p30 40.9 48.11 2.7 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.478 0.711 . . . . 20.0 112.369 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -152.89 -24.29 0.16 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.05 -0.523 . . . . 20.0 111.226 -177.516 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 70.78 -56.83 0.61 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.713 0.805 . . . . 20.0 111.951 -179.125 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.2 tp 54.71 71.79 0.51 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.323 0.583 . . . . 20.0 111.221 178.304 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 p -67.87 141.29 94.51 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.723 -0.671 . . . . 20.0 110.603 177.584 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.37 55.9 4.29 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.121 2.547 . . . . 20.0 113.139 -178.288 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 42.07 -160.6 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.414 1.085 . . . . 20.0 112.699 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.7 t -91.66 104.66 15.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.558 -0.534 . . . . 20.0 109.558 175.059 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 m -85.65 50.78 2.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.198 0.523 . . . . 20.0 110.837 -176.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -129.17 148.48 51.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.587 . . . . 20.0 109.749 179.628 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -123.45 113.09 18.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.257 -0.429 . . . . 20.0 110.388 -177.687 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -117.1 -84.4 0.64 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.972 -0.381 . . . . 20.0 109.972 176.184 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 p 40.5 67.75 0.47 Allowed 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.65 0.593 . . . . 20.0 112.094 -178.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm 61.9 66.83 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-O 121.463 0.649 . . . . 20.0 110.498 -178.989 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -79.86 -39.73 29.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.918 -176.981 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -58.64 -36.01 73.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.272 -0.422 . . . . 20.0 111.609 -173.072 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -71.94 -45.77 59.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.999 0.428 . . . . 20.0 110.542 -178.091 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -72.09 -30.66 65.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.694 -178.616 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.441 ' HA ' ' HB3' ' A' ' 24' ' ' TRP . 34.6 t -70.54 -20.59 62.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.699 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.59 ' HD2' ' CD1' ' A' ' 21' ' ' TYR . 61.2 t80 -81.26 -32.8 33.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.52 179.915 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -90.83 -56.32 3.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.306 -0.406 . . . . 20.0 111.612 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -89.99 -56.44 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.527 -170.813 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.441 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 70.1 t-105 -65.43 -19.25 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.331 . . . . 20.0 111.045 -174.906 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.9 -35.7 61.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.051 0.453 . . . . 20.0 110.309 176.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -75.19 -27.46 59.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.56 -0.745 . . . . 20.0 110.881 -178.014 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.15 -24.0 23.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.248 0.546 . . . . 20.0 110.735 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -72.24 -17.95 61.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.546 -178.407 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -71.01 -21.22 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.466 0.65 . . . . 20.0 110.132 176.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.24 27.28 15.47 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 114.881 -1.054 . . . . 20.0 112.018 177.14 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.2 m -60.4 -36.68 78.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 20.0 110.99 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.7 m -116.41 31.05 6.97 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.967 -0.561 . . . . 20.0 109.962 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.2 tp -127.08 94.34 3.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.363 -178.382 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.24 123.14 48.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.796 -0.638 . . . . 20.0 110.252 177.806 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -72.31 120.6 81.33 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.265 -0.425 . . . . 20.0 110.536 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.24 90.4 0.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.403 2.069 . . . . 20.0 111.141 175.725 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -67.84 123.88 88.1 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.959 -0.564 . . . . 20.0 109.583 178.917 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.65 114.3 2.08 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.628 2.219 . . . . 20.0 112.321 -176.591 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.74 156.63 18.4 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.552 -0.749 . . . . 20.0 110.216 179.314 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.7 mt -58.92 119.09 34.67 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 20.0 109.932 176.657 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.97 128.79 25.21 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.336 2.024 . . . . 20.0 111.349 -178.32 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.505 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 55.0 t-80 -61.81 -24.86 67.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.661 -176.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.56 -36.57 78.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.848 177.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.92 -28.75 63.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.268 0.556 . . . . 20.0 110.119 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -76.76 -51.46 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.428 -0.806 . . . . 20.0 110.421 179.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.505 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 12.0 pt-20 -70.33 -19.06 63.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 20.0 111.448 -177.041 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 4.1 tmt_? -57.19 -33.23 67.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.493 -0.558 . . . . 20.0 109.493 174.306 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -62.54 -44.94 95.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.231 177.577 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.457 ' SD ' ' HA ' ' A' ' 46' ' ' GLU . 1.8 mpt? -66.07 -31.98 73.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 20.0 110.723 -178.95 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.36 75.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.731 176.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.07 -20.27 59.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.085 -0.507 . . . . 20.0 110.559 179.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -67.97 -39.61 83.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.409 -0.814 . . . . 20.0 110.043 175.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.655 ' HE1' ' CE2' ' A' ' 53' ' ' PHE . 70.4 t80 -72.76 -26.44 61.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.405 0.622 . . . . 20.0 109.929 177.747 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.6 -1.53 31.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.447 -0.797 . . . . 20.0 110.892 178.104 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.41 ' HB3' ' HZ1' ' A' ' 55' ' ' LYS . 8.0 ttpm? -61.69 -25.7 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.636 177.273 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.433 ' HE3' ' HA ' ' A' ' 56' ' ' MET . 33.4 mmt -69.23 -15.57 63.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.022 -0.535 . . . . 20.0 111.524 -178.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.42 -43.64 98.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.083 0.468 . . . . 20.0 110.234 177.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' HB3' ' H ' ' A' ' 59' ' ' GLU . 73.8 mmtt -138.91 -142.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.775 -0.648 . . . . 20.0 109.735 -179.498 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.401 ' H ' ' HB3' ' A' ' 58' ' ' LYS . 14.3 mm-40 66.09 176.65 0.22 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.652 0.739 . . . . 20.0 112.135 175.28 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.33 14.01 7.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.249 -0.887 . . . . 20.0 109.747 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 m -102.01 86.69 2.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.509 -0.769 . . . . 20.0 110.967 -176.909 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -85.12 135.94 33.76 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.809 -0.441 . . . . 20.0 109.809 177.163 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.507 -0.758 . . . . 20.0 109.939 -179.588 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 121.007 0.432 . . . . 20.0 110.614 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -120.51 168.21 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.382 -179.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.635 ' HD1' ' CD2' ' A' ' -5' ' ' TYR . 82.2 t80 -160.8 130.65 5.02 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.481 -0.563 . . . . 20.0 109.481 179.842 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 63.8 tttp 66.26 104.32 0.04 OUTLIER 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.978 0.799 . . . . 20.0 110.894 -178.826 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.95 128.99 38.41 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.261 -0.644 . . . . 20.0 109.261 176.284 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -130.68 -66.87 0.74 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.994 0.426 . . . . 20.0 111.313 -173.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -81.46 94.9 6.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.964 -0.562 . . . . 20.0 109.833 -178.136 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.67 -10.95 59.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.623 -0.717 . . . . 20.0 110.739 -175.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 47.0 mmtm -90.96 -17.48 26.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 20.0 110.272 -179.198 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 68.99 -79.42 0.04 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.435 -0.802 . . . . 20.0 111.284 175.697 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -135.64 72.3 1.44 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.887 0.375 . . . . 20.0 110.172 179.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 56.5 61.6 2.62 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.557 -0.747 . . . . 20.0 111.361 178.165 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 3.0 tm? -75.34 -36.67 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.001 -0.545 . . . . 20.0 110.114 -179.21 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -129.22 99.66 21.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.446 -0.343 . . . . 20.0 111.151 -174.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.96 -48.56 17.76 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.77 2.313 . . . . 20.0 111.377 174.923 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.7 mtt 71.15 147.25 0.07 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.612 0.72 . . . . 20.0 112.447 174.736 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -102.38 68.13 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.499 -0.773 . . . . 20.0 109.53 177.625 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 p -78.89 45.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.642 -0.708 . . . . 20.0 111.187 -177.553 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -105.18 -7.32 19.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.679 -0.692 . . . . 20.0 110.507 -176.453 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -79.64 71.97 6.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.849 -0.614 . . . . 20.0 110.574 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.446 ' C ' ' H ' ' A' ' 15' ' ' ILE . 35.0 mt-10 -69.31 163.49 24.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.214 -0.903 . . . . 20.0 110.557 -179.601 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.36 39.84 0.16 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.357 0.599 . . . . 20.0 112.534 -178.054 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.446 ' H ' ' C ' ' A' ' 13' ' ' GLU . 86.7 mt -145.77 -44.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 107.388 -1.338 . . . . 20.0 107.388 173.796 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -64.47 -38.83 92.37 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.189 -1.369 . . . . 20.0 111.366 178.828 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -57.68 -43.79 85.34 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.68 0.276 . . . . 20.0 111.362 -177.673 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.47 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 31.3 tt0 -66.59 -42.43 86.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.332 0.587 . . . . 20.0 110.315 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -67.22 -26.06 66.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.951 -179.52 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.9 m -61.49 -29.81 70.21 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.015 -0.539 . . . . 20.0 111.881 -175.804 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.667 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 52.2 p90 -104.93 -33.5 8.34 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.164 -0.614 . . . . 20.0 111.25 177.498 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -66.53 -61.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.982 -0.287 . . . . 20.0 111.703 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.27 -34.35 76.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.232 . . . . 20.0 111.171 -176.744 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.86 -56.88 15.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 20.0 110.117 179.007 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.03 -42.8 96.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.349 -179.003 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -60.77 -33.69 73.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 20.0 111.04 -178.384 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.516 ' O ' HG21 ' A' ' 31' ' ' THR . . . -64.14 -41.84 97.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.807 0.337 . . . . 20.0 111.338 -179.573 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -78.2 -33.22 50.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.737 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.2 t -70.03 -51.9 35.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.411 -0.359 . . . . 20.0 111.114 178.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.78 101.7 2.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.763 0.316 . . . . 20.0 111.167 -177.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.516 HG21 ' O ' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -75.99 92.66 3.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.431 -0.35 . . . . 20.0 110.681 176.828 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t 71.01 138.56 0.04 OUTLIER 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.686 -0.688 . . . . 20.0 111.173 -178.542 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.7 mt -93.64 -5.42 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.996 -0.547 . . . . 20.0 110.158 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.11 134.09 42.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.1 177.486 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 35.4 m-20 -79.3 121.69 83.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.518 -0.31 . . . . 20.0 110.876 -177.646 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 15.1 Cg_exo -69.48 66.93 1.6 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.093 2.528 . . . . 20.0 112.269 176.27 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.466 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 22.6 mmm180 -96.37 -46.55 0.25 Allowed Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.747 -0.661 . . . . 20.0 111.723 177.848 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.466 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 17.3 Cg_exo -67.14 148.74 81.52 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.648 1.565 . . . . 20.0 111.275 174.449 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 67.68 -170.83 0.19 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.774 0.671 . . . . 20.0 111.372 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.1 pt -71.77 126.54 91.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.107 0.48 . . . . 20.0 111.75 -179.791 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.14 149.49 32.27 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.621 2.214 . . . . 20.0 111.04 176.283 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -62.29 -19.83 63.68 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.05 0.389 . . . . 20.0 112.05 -174.325 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.13 -41.59 70.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.63 0.253 . . . . 20.0 110.659 177.424 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.4 -29.34 63.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.067 0.461 . . . . 20.0 110.088 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.467 ' O ' ' HB2' ' A' ' 49' ' ' MET . 90.4 t -62.97 -47.67 91.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.557 . . . . 20.0 110.367 176.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.507 ' O ' ' HB1' ' A' ' 50' ' ' ALA . 40.7 mt-10 -76.44 -19.65 57.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.368 -0.378 . . . . 20.0 111.581 -179.461 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -85.19 -67.92 0.76 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.973 0.416 . . . . 20.0 111.197 176.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -83.5 -47.97 10.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 20.0 111.44 -172.832 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.467 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 95.4 mmm -72.92 -17.56 61.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.35 -0.386 . . . . 20.0 111.74 -174.26 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.507 ' HB1' ' O ' ' A' ' 46' ' ' GLU . . . -47.32 -40.89 18.15 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.675 0.62 . . . . 20.0 112.675 -178.781 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.84 -29.9 69.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.122 0.487 . . . . 20.0 110.933 -177.869 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -91.12 -26.95 18.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.923 -0.58 . . . . 20.0 110.383 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.02 -27.52 69.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.711 . . . . 20.0 110.237 178.54 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 -21.47 65.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.8 176.257 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -87.8 -36.17 17.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.302 177.086 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 48.6 tpp -78.43 -36.78 45.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.025 -0.534 . . . . 20.0 111.229 -177.154 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' HA ' ' NE ' ' A' ' 57' ' ' ARG . 6.2 tpm_? -79.43 -10.15 59.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.26 0.552 . . . . 20.0 110.314 -179.401 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 3.4 ttmp? -76.72 122.95 25.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.708 -0.678 . . . . 20.0 110.088 178.435 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.06 154.94 40.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.989 -0.551 . . . . 20.0 110.157 -178.884 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.9 mtm180 -67.08 91.69 0.22 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 20.0 111.983 -174.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 t -102.79 -22.58 13.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.24 -0.652 . . . . 20.0 109.24 175.266 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.36 115.13 27.29 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.106 -0.701 . . . . 20.0 109.106 178.453 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.737 -0.649 . . . . 20.0 109.889 177.087 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.459 0.171 . . . . 20.0 110.909 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.46 -74.97 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.652 0.263 . . . . 20.0 111.354 -178.316 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.92 79.62 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.535 -0.302 . . . . 20.0 111.335 -174.541 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -128.41 2.05 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.711 0.291 . . . . 20.0 110.88 177.705 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -78.67 -43.42 26.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.448 -0.342 . . . . 20.0 110.699 -177.738 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -109.26 -68.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.789 0.328 . . . . 20.0 110.778 175.935 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -167.54 -174.42 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.424 -0.353 . . . . 20.0 110.885 -178.792 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.74 -44.24 90.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 20.0 111.74 -177.036 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -80.49 -36.01 33.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.606 -0.27 . . . . 20.0 110.671 -176.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 74.07 -40.93 0.47 Allowed 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.851 0.72 . . . . 20.0 112.327 174.768 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -133.52 39.52 3.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.714 0.292 . . . . 20.0 111.126 -177.019 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.36 -50.09 74.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 20.0 111.097 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 mp -96.62 81.89 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.191 -0.459 . . . . 20.0 109.766 178.542 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -68.93 135.6 89.75 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.445 179.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.03 84.56 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.781 2.321 . . . . 20.0 112.393 -179.074 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.8 ttt -91.45 55.79 2.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.538 0.685 . . . . 20.0 109.797 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.1 -8.06 10.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.606 -0.725 . . . . 20.0 110.502 -178.209 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 t -119.97 173.47 7.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.723 -0.671 . . . . 20.0 110.002 -178.85 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.87 -39.43 77.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.18 0.514 . . . . 20.0 109.898 177.15 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.67 ' HD2' ' CD1' ' A' ' 12' ' ' PHE . 38.3 p90 -99.0 134.06 42.37 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.565 -0.743 . . . . 20.0 109.968 177.059 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.72 -6.47 59.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.689 0.756 . . . . 20.0 109.921 177.522 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 p -86.71 65.73 9.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.461 -0.791 . . . . 20.0 111.88 -176.149 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.2 mt -75.08 -32.49 26.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.426 0.632 . . . . 20.0 109.653 176.277 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.24 -12.31 39.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.323 -0.853 . . . . 20.0 110.701 178.864 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -37.32 81.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.471 0.653 . . . . 20.0 109.445 175.77 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 35.8 mt-10 -73.98 -16.1 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.39 0.614 . . . . 20.0 110.283 -178.94 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -85.83 -17.03 36.82 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.491 -0.777 . . . . 20.0 109.456 176.577 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -65.92 -19.57 65.92 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.862 -0.608 . . . . 20.0 111.16 -179.031 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.625 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 97.5 m-85 -64.16 -27.95 69.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.155 0.502 . . . . 20.0 109.904 175.779 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -73.47 -34.03 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 20.0 109.884 175.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -71.13 -44.45 65.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.558 -0.746 . . . . 20.0 109.696 179.68 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -67.25 -17.69 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.652 -0.703 . . . . 20.0 111.148 178.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 tt -57.64 -41.92 82.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.301 178.84 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -68.9 -28.84 67.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.318 0.58 . . . . 20.0 109.724 179.314 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.93 -0.07 26.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.469 -0.787 . . . . 20.0 111.347 -178.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HZ2' ' HB3' ' A' ' 28' ' ' LYS . 5.9 ttpm? -87.04 -25.08 24.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.062 0.458 . . . . 20.0 109.941 175.84 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -100.14 -17.79 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.249 0.547 . . . . 20.0 110.147 177.395 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.94 148.97 31.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.741 -178.749 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.3 m 59.96 48.0 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.429 0.633 . . . . 20.0 110.923 177.706 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.4 m -80.29 78.16 6.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.541 . . . . 20.0 110.515 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.05 29.6 7.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.089 -0.505 . . . . 20.0 110.532 -179.068 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 66.16 109.7 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 O-C-N 124.113 0.883 . . . . 20.0 111.695 179.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.56 127.16 65.77 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.887 176.837 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.36 1.28 9.15 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.534 2.156 . . . . 20.0 111.628 175.736 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -103.32 124.99 36.3 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.723 -0.671 . . . . 20.0 110.675 -178.508 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -74.35 130.26 13.8 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.177 1.918 . . . . 20.0 111.529 174.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.53 122.41 32.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.218 -0.446 . . . . 20.0 110.657 -177.435 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.4 mt -88.98 118.16 68.96 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.183 -0.462 . . . . 20.0 110.788 -179.343 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -57.59 118.65 5.56 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.399 2.066 . . . . 20.0 110.905 173.232 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -87.13 -30.56 20.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.92 0.341 . . . . 20.0 111.92 -172.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.667 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 28.5 t70 -63.87 -42.34 97.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 20.0 110.221 -178.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -56.16 -43.45 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.8 -0.637 . . . . 20.0 111.229 178.182 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.87 -42.15 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.46 -178.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.72 -35.43 76.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 20.0 110.447 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.667 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 25.6 mmt180 -58.84 -45.35 90.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 20.0 110.922 179.361 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.4 -38.04 89.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.974 0.416 . . . . 20.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.7 mtt -69.84 -41.47 74.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.237 179.045 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.41 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.609 -0.723 . . . . 20.0 111.251 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 43.1 mt-10 -63.24 -26.38 68.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.048 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -78.35 -47.18 18.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.218 -0.446 . . . . 20.0 109.942 176.813 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.655 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 36.5 m-85 -67.05 -34.45 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 20.0 111.029 -179.05 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.67 92.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.369 -0.378 . . . . 20.0 111.173 179.49 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -68.12 -26.04 65.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.216 0.531 . . . . 20.0 110.307 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.8 ttp -70.3 -17.49 63.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.64 -0.709 . . . . 20.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 53' ' ' PHE . 2.8 mpt_? -84.29 10.67 9.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.334 176.108 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 68.62 102.44 0.05 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.352 -0.84 . . . . 20.0 111.367 179.172 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 70.41 159.41 0.19 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.416 -0.811 . . . . 20.0 112.061 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -120.94 2.56 10.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.539 -0.755 . . . . 20.0 110.543 -176.871 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.5 t 60.22 40.65 17.74 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.294 -0.867 . . . . 20.0 110.196 -179.032 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -121.38 143.72 49.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.832 -0.622 . . . . 20.0 110.198 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.391 -0.814 . . . . 20.0 109.649 175.844 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.787 0.327 . . . . 20.0 110.961 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -85.63 135.57 33.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.211 -0.292 . . . . 20.0 110.211 -179.754 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.633 ' HE2' ' CE1' ' A' ' -5' ' ' TYR . 85.4 m-85 -119.82 161.61 20.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.493 179.026 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 64.05 26.37 14.01 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.835 0.709 . . . . 20.0 110.516 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -164.08 152.5 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.248 -0.887 . . . . 20.0 109.026 179.443 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -110.49 4.45 20.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.099 0.407 . . . . 20.0 112.099 -175.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.45 100.34 9.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.645 -0.502 . . . . 20.0 109.645 177.464 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -82.44 0.32 42.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.627 -0.715 . . . . 20.0 110.933 -175.436 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -91.23 -21.13 21.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.012 -0.54 . . . . 20.0 111.17 179.322 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.1 m120 64.12 24.06 13.37 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.542 -0.753 . . . . 20.0 110.045 -176.825 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -119.02 13.87 13.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.976 -0.556 . . . . 20.0 111.13 -172.62 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.98 -33.58 63.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.368 0.604 . . . . 20.0 109.791 175.13 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -118.71 158.15 26.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.247 -0.888 . . . . 20.0 108.839 175.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m 73.76 132.21 0.04 OUTLIER Pre-proline 0 C--O 1.236 0.35 0 O-C-N 123.91 0.756 . . . . 20.0 111.298 178.859 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.67 138.65 38.6 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.423 2.082 . . . . 20.0 111.221 177.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.7 ttp -79.33 68.51 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.466 0.65 . . . . 20.0 110.428 -177.3 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.9 m -91.11 22.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.745 -0.661 . . . . 20.0 110.563 178.666 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.4 p -81.05 58.57 3.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.554 -0.748 . . . . 20.0 110.777 -179.235 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.36 21.58 7.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.661 0.743 . . . . 20.0 110.458 179.773 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.632 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 84.5 m-85 -84.81 164.32 18.55 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.847 -1.069 . . . . 20.0 109.772 177.783 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -85.91 26.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.451 . . . . 20.0 110.779 178.437 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 p -115.0 34.04 5.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.992 -0.549 . . . . 20.0 111.284 -178.908 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.0 mt -82.8 -52.34 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 20.0 109.655 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.42 -44.32 97.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.314 -0.857 . . . . 20.0 110.147 177.59 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.28 -37.11 81.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.488 -0.778 . . . . 20.0 110.903 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.87 -38.39 88.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 20.0 110.292 -178.984 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -68.01 -31.36 70.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.756 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -71.52 -37.8 71.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.158 0.504 . . . . 20.0 109.807 175.289 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.653 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 83.6 t80 -67.34 -36.1 80.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.027 178.355 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -58.81 -33.68 70.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.451 -0.795 . . . . 20.0 111.192 178.713 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.77 -34.46 78.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.307 -0.406 . . . . 20.0 110.751 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.5 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 16.7 m0 -76.66 -22.55 53.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.141 -0.482 . . . . 20.0 110.796 -179.708 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.5 mt -66.37 -22.04 66.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 20.0 110.956 -179.858 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -65.3 -19.85 66.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 20.0 110.739 178.289 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.99 -15.37 32.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 20.0 111.196 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -74.43 -34.76 63.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.708 -176.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.91 -10.6 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.352 0.596 . . . . 20.0 110.516 178.992 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.34 62.21 5.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.299 0.571 . . . . 20.0 110.598 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.2 m -110.85 141.5 44.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.743 -0.662 . . . . 20.0 110.162 179.03 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 m 59.62 71.42 0.58 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.103 0.478 . . . . 20.0 110.761 177.741 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 33' ' ' LEU . 2.6 mm? -85.83 120.81 27.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.011 -0.541 . . . . 20.0 110.188 -178.608 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -121.04 82.26 1.9 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.123 -0.49 . . . . 20.0 109.875 177.111 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -75.08 127.17 87.14 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.739 -0.664 . . . . 20.0 110.654 -178.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.03 46.58 2.23 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.018 2.479 . . . . 20.0 112.096 178.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.41 ' H ' ' HD2' ' A' ' 38' ' ' PRO . 98.5 mtt180 -89.36 -52.08 0.35 Allowed Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.477 -0.783 . . . . 20.0 110.97 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.41 ' HD2' ' H ' ' A' ' 37' ' ' ARG . 53.3 Cg_endo -70.28 142.43 45.61 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.714 1.61 . . . . 20.0 111.632 174.745 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.56 133.97 51.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.091 -0.504 . . . . 20.0 110.265 179.343 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.44 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 17.8 pt -67.07 122.84 84.48 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.28 -0.418 . . . . 20.0 111.194 -177.623 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 40' ' ' ILE . 15.3 Cg_exo -68.23 163.26 36.9 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.993 2.462 . . . . 20.0 111.743 178.76 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.504 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 11.3 p-80 -68.05 -15.66 63.69 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.404 -0.362 . . . . 20.0 110.697 -176.891 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -68.24 -22.2 64.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.381 -0.372 . . . . 20.0 110.906 177.194 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.516 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 10.4 mm-40 -70.96 -40.54 71.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.36 -0.607 . . . . 20.0 109.36 174.859 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.53 -35.09 71.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.424 -0.807 . . . . 20.0 110.212 177.359 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 14.7 mm-40 -57.79 -44.38 86.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 20.0 110.959 178.105 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.575 ' HA ' ' HB2' ' A' ' 51' ' ' GLU . 18.2 ptt180 -80.77 -19.18 45.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.346 -0.541 . . . . 20.0 111.442 -177.664 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 2.7 mmp_? -60.2 -53.36 58.63 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.72 -0.474 . . . . 20.0 109.72 173.1 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 22.6 ptp -92.13 -53.73 4.13 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.052 0.76 . . . . 20.0 113.052 -177.449 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -91.87 -65.18 1.03 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.297 0.851 . . . . 20.0 113.297 -169.649 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . 28.9 mt-10 -62.45 -17.01 58.44 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.104 0.409 . . . . 20.0 112.104 -169.877 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.419 ' HD3' ' O ' ' A' ' 48' ' ' ARG . 34.4 ptt180 -54.22 -27.91 37.67 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.697 0.284 . . . . 20.0 110.713 175.084 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.641 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 33.0 t80 -63.39 -44.02 95.92 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.983 -0.377 . . . . 20.0 109.983 176.843 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' A' ' 58' ' ' LYS . . . -67.14 -37.26 83.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.283 0.564 . . . . 20.0 109.98 175.653 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.23 -39.73 87.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.223 -0.898 . . . . 20.0 111.299 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.603 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 5.5 ppp? -78.28 -21.1 50.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.739 0.304 . . . . 20.0 110.943 -179.675 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.612 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 84.6 mtp180 -79.73 -37.09 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 20.0 110.69 178.621 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 58.5 pttt -87.97 15.42 7.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 20.0 110.822 177.662 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 63.22 35.38 12.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.428 -0.805 . . . . 20.0 112.484 170.936 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.81 115.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.404 0.44 . . . . 20.0 111.633 178.331 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.0 m -85.38 37.48 0.68 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.218 -0.301 . . . . 20.0 111.668 -177.19 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 59.88 84.55 0.12 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.835 -0.621 . . . . 20.0 111.626 179.336 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.663 -0.684 . . . . 20.0 109.623 176.935 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 67.8 mtt . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.803 0.335 . . . . 20.0 110.749 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -133.74 -83.66 0.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.937 0.399 . . . . 20.0 110.34 177.605 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 0.428 ' C ' ' HD2' ' A' ' -4' ' ' LYS . 82.3 t80 -160.11 86.79 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.247 177.602 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.539 ' NZ ' ' HB3' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -169.11 92.71 0.27 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.382 0.611 . . . . 20.0 110.208 175.315 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.97 12.54 11.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.808 -0.633 . . . . 20.0 109.943 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.534 ' OD2' ' HA ' ' A' ' 2' ' ' ASN . 13.4 t70 -71.94 -36.46 69.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.349 -0.841 . . . . 20.0 110.478 -174.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 70.12 157.12 0.16 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.357 -0.838 . . . . 20.0 110.624 178.228 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.54 -6.52 15.3 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.985 0.422 . . . . 20.0 111.692 -177.251 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.449 ' HZ2' ' HB3' ' A' ' 1' ' ' LYS . 6.0 ttpm? -90.84 -4.94 56.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.908 -0.587 . . . . 20.0 110.225 176.849 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.534 ' HA ' ' OD2' ' A' ' -2' ' ' ASP . 3.6 t-20 50.07 55.25 9.73 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.314 0.487 . . . . 20.0 112.314 169.328 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 66.24 7.25 4.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.221 -0.899 . . . . 20.0 112.524 173.769 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.47 50.86 1.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.174 0.511 . . . . 20.0 111.505 -176.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -122.56 11.39 9.87 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.809 0.814 . . . . 20.0 109.013 176.114 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -90.17 114.65 61.7 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 114.961 -1.018 . . . . 20.0 110.045 177.249 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.87 -19.58 23.41 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.413 2.075 . . . . 20.0 113.224 -176.118 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.7 ttt 59.3 60.04 2.48 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.839 0.828 . . . . 20.0 109.469 -176.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.8 p -81.43 133.99 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.364 -0.835 . . . . 20.0 111.222 -175.971 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 p -135.68 44.77 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.425 0.631 . . . . 20.0 110.046 176.309 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -99.85 -12.59 19.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.476 -0.784 . . . . 20.0 111.28 -174.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.79 114.29 4.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.736 -0.468 . . . . 20.0 109.736 179.102 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -150.04 85.59 1.41 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.081 -0.509 . . . . 20.0 109.705 -177.159 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.415 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 1.3 p -149.36 131.06 15.0 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.269 -0.423 . . . . 20.0 111.096 -178.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.415 ' HB ' ' O ' ' A' ' 14' ' ' THR . 48.4 mm 77.14 -48.63 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 115.705 -0.68 . . . . 20.0 112.326 177.058 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -37.75 83.35 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.792 0.293 . . . . 20.0 111.792 -173.698 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -67.33 -15.51 63.73 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.044 0.387 . . . . 20.0 112.044 -175.82 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -67.55 -47.66 69.2 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.763 -0.458 . . . . 20.0 109.763 177.434 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -86.49 -29.14 22.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.998 -0.547 . . . . 20.0 110.89 179.139 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.2 m -70.8 -17.06 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.707 -0.224 . . . . 20.0 110.992 179.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -66.24 -37.44 85.53 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.541 -0.54 . . . . 20.0 109.541 174.684 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.6 t-20 -61.25 -43.78 98.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.783 -0.644 . . . . 20.0 109.602 175.784 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -64.38 -53.97 40.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.807 -0.633 . . . . 20.0 110.822 177.498 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.453 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 54.5 t90 -61.67 -38.12 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 20.0 111.635 -175.764 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.97 -44.55 97.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 20.0 110.998 -177.062 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 18.3 ptt180 -85.88 -9.85 56.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.004 0.43 . . . . 20.0 111.057 179.377 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.92 -6.29 58.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.825 176.233 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 29.3 mtpp -65.43 -17.85 64.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 20.0 111.092 178.895 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.9 p -80.85 -17.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.305 0.574 . . . . 20.0 110.354 177.912 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.34 74.85 9.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.281 -178.099 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -132.03 24.88 4.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.541 -0.754 . . . . 20.0 109.932 179.031 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 m -81.15 -15.68 55.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.53 -0.759 . . . . 20.0 110.843 -177.523 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.3 tp -72.86 -29.59 63.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.123 0.487 . . . . 20.0 110.016 178.202 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.93 65.71 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 20.0 109.667 174.064 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -65.27 134.93 95.91 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.689 -178.002 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -63.64 149.23 91.42 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.141 2.561 . . . . 20.0 112.479 -174.015 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -90.18 131.51 38.6 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.915 -0.584 . . . . 20.0 110.106 -179.002 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.07 47.87 1.87 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.697 2.264 . . . . 20.0 111.815 176.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.45 59.64 0.33 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.135 -0.938 . . . . 20.0 109.61 -178.793 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.22 124.41 68.4 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.435 -0.802 . . . . 20.0 110.368 -177.543 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -77.4 142.14 20.81 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.375 2.05 . . . . 20.0 111.833 177.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -72.34 -7.61 50.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.205 0.526 . . . . 20.0 110.114 178.184 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.554 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 15.9 m-20 -67.16 -23.08 65.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.421 -0.809 . . . . 20.0 110.166 175.134 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.42 -37.72 84.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.683 -0.69 . . . . 20.0 110.4 -179.643 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.71 -42.78 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.705 -0.68 . . . . 20.0 110.193 177.767 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -63.45 -37.61 87.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 20.0 110.622 179.136 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 42.1 mtp-105 -62.2 -47.82 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.952 0.406 . . . . 20.0 110.397 178.623 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -71.5 -33.19 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 20.0 110.917 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 46.4 tpp -68.22 -34.52 76.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.182 0.515 . . . . 20.0 109.706 177.775 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.53 96.01 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.826 -0.624 . . . . 20.0 110.218 174.378 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.21 -46.8 88.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.633 . . . . 20.0 110.073 175.919 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.58 -49.81 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.317 -0.856 . . . . 20.0 110.471 -177.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.664 ' HE1' ' CE2' ' A' ' 53' ' ' PHE . 71.8 t80 -60.33 -40.6 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 20.0 111.143 -178.662 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.76 -53.15 36.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.986 -0.552 . . . . 20.0 111.742 -176.647 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -80.69 -12.13 59.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.518 -0.31 . . . . 20.0 111.706 -174.583 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.4 ttp -62.7 -43.84 97.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.013 0.435 . . . . 20.0 110.388 177.66 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -97.57 -29.36 13.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.772 -0.649 . . . . 20.0 109.937 176.703 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.441 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 0.4 OUTLIER 72.85 -50.29 0.7 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.846 0.858 . . . . 20.0 111.524 177.126 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.74 88.94 6.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.124 0.487 . . . . 20.0 110.687 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 61' ' ' SER . 52.3 mtp180 -78.96 116.88 19.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.706 -0.679 . . . . 20.0 109.836 177.696 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 60' ' ' ARG . 41.3 t 70.81 120.6 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.198 0 O-C-N 123.893 0.746 . . . . 20.0 110.884 -178.941 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -70.53 -22.17 62.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.251 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.625 -0.716 . . . . 20.0 110.607 -178.22 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 17.8 ptp . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 121.381 0.61 . . . . 20.0 110.642 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.56 -8.67 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.33 0.586 . . . . 20.0 110.519 -178.573 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -94.4 75.03 3.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.19 -0.67 . . . . 20.0 109.19 178.44 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.546 ' HA ' ' HB2' ' A' ' 0' ' ' ASP . 69.3 mmtt -134.93 30.46 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.299 -0.409 . . . . 20.0 111.736 -174.656 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -128.91 -24.69 2.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.002 0.371 . . . . 20.0 112.002 -176.85 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.24 -67.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.721 0.296 . . . . 20.0 110.903 -178.206 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -115.49 -27.1 7.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 20.0 110.735 179.128 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . 0.546 ' HB2' ' HA ' ' A' ' -4' ' ' LYS . 1.9 m-20 -72.41 0.78 9.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.804 -0.635 . . . . 20.0 112.26 -173.714 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -85.76 -22.8 27.55 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.792 0.33 . . . . 20.0 110.456 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -73.93 -62.85 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.299 -0.41 . . . . 20.0 110.237 -178.271 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.408 ' C ' ' H ' ' A' ' 5' ' ' LEU . 39.6 mtm180 60.97 -154.38 0.37 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.62 178.496 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 74.29 -36.28 0.33 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.456 0.702 . . . . 20.0 111.445 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.408 ' H ' ' C ' ' A' ' 3' ' ' ARG . 95.9 mt -135.26 130.56 35.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.759 -0.459 . . . . 20.0 109.759 174.946 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -141.15 83.82 13.44 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.488 -0.56 . . . . 20.0 109.488 179.172 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -92.1 19.37 0.99 Allowed 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.014 2.476 . . . . 20.0 112.862 -177.483 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.0 ptm -138.57 42.58 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.422 . . . . 20.0 111.017 -178.464 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.9 t -73.0 -41.03 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 20.0 110.497 -178.013 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.8 t 73.68 -9.42 1.21 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.556 -0.747 . . . . 20.0 111.763 176.92 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -125.09 158.17 34.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.973 0.416 . . . . 20.0 111.151 -177.515 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.62 ' HD2' ' CD1' ' A' ' 12' ' ' PHE . 41.0 t80 -147.8 141.0 25.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.475 -0.784 . . . . 20.0 108.936 174.854 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.503 ' HG3' ' CD2' ' A' ' 12' ' ' PHE . 46.7 mt-10 73.98 -40.43 0.46 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.417 0.687 . . . . 20.0 112.129 -178.962 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.1 p -71.15 133.56 46.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.069 0.461 . . . . 20.0 111.744 -176.541 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.508 HG23 ' H ' ' A' ' 18' ' ' GLU . 57.8 mt -131.76 91.55 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.868 -0.605 . . . . 20.0 109.968 178.235 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -34.2 70.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.95 -0.568 . . . . 20.0 111.08 -178.138 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.64 -39.03 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 20.0 111.142 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' H ' HG23 ' A' ' 15' ' ' ILE . 43.3 tt0 -78.13 -29.08 48.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.264 0.554 . . . . 20.0 109.932 -179.27 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -25.21 67.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.64 -0.709 . . . . 20.0 111.337 -179.144 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.0 p -61.2 -48.16 82.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.859 0.362 . . . . 20.0 110.026 -179.77 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.658 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 85.1 m-85 -59.28 -37.83 78.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.221 178.316 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -67.11 -43.94 81.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.453 -0.794 . . . . 20.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -68.1 -42.85 79.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.106 -177.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -67.11 -28.05 67.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 20.0 110.855 177.907 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.443 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 58.7 tp -74.13 -36.06 64.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.195 0.521 . . . . 20.0 109.79 176.68 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.483 ' NH1' ' HA ' ' A' ' 30' ' ' ALA . 3.1 tmt_? -74.44 -31.99 62.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.779 -0.646 . . . . 20.0 109.798 178.96 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.87 92.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.918 -0.583 . . . . 20.0 112.073 -178.188 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -72.72 -20.57 61.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 20.0 110.556 -178.832 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -85.62 -63.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.024 176.654 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' NH1' ' A' ' 26' ' ' ARG . . . 49.94 37.73 14.54 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.801 0.44 . . . . 20.0 112.062 -179.585 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m 53.18 31.12 10.92 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.538 0.685 . . . . 20.0 111.171 -178.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -138.76 28.23 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.359 0.599 . . . . 20.0 109.669 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tt -154.97 95.84 1.79 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.801 -0.814 . . . . 20.0 108.801 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -138.74 106.04 5.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.855 -178.025 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 33.9 m-20 -70.46 135.47 86.38 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.43 -0.581 . . . . 20.0 109.43 177.408 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 14.6 Cg_exo -69.47 -1.04 7.55 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.755 2.303 . . . . 20.0 112.474 -179.191 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 63.1 83.26 0.2 Allowed Pre-proline 0 CA--C 1.529 0.135 0 CA-C-N 115.195 -0.911 . . . . 20.0 111.04 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.48 112.1 2.28 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.58 2.187 . . . . 20.0 111.34 178.439 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.29 81.19 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.025 -0.534 . . . . 20.0 111.312 -176.435 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.86 120.61 82.41 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.656 -0.702 . . . . 20.0 109.465 177.983 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -63.38 127.04 18.98 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.194 1.929 . . . . 20.0 111.742 -177.857 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.45 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 13.9 p-80 -63.88 -21.37 66.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.692 -179.262 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -62.35 -39.72 94.04 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.09 0.471 . . . . 20.0 110.12 175.275 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -73.69 -37.98 65.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.476 -0.784 . . . . 20.0 110.234 -178.648 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.28 -42.1 86.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.245 179.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 48.8 mt-10 -58.11 -44.5 87.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.206 0.527 . . . . 20.0 110.963 176.818 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -74.32 -31.37 62.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.548 -177.003 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -74.43 -43.05 57.99 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.747 -0.66 . . . . 20.0 109.973 178.626 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.8 tpp -68.68 -24.12 64.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.707 -178.147 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.463 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -57.57 -32.81 67.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 20.0 110.958 176.809 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.56 -23.34 53.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.039 178.493 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -81.4 -19.04 43.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.133 0.492 . . . . 20.0 109.896 179.322 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' O ' ' HG2' ' A' ' 56' ' ' MET . 20.9 m-85 -73.6 -9.32 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.83 -0.623 . . . . 20.0 111.055 177.614 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.43 -15.26 10.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 20.0 112.065 -178.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.509 ' HB3' ' HZ2' ' A' ' 55' ' ' LYS . 7.1 mtpm? -63.89 -17.34 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 20.0 111.261 178.381 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.501 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 25.2 ptt? -71.31 7.05 1.44 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.156 0.503 . . . . 20.0 111.257 178.927 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -60.77 -28.03 68.42 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.137 -0.69 . . . . 20.0 109.137 171.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -88.15 11.2 16.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 20.0 111.049 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.17 -32.8 17.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.905 0.383 . . . . 20.0 110.602 -179.1 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -119.27 24.87 10.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.318 -0.401 . . . . 20.0 111.457 -175.308 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.8 m 51.15 54.43 11.2 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.544 -0.753 . . . . 20.0 111.551 178.507 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -88.0 91.24 8.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.223 0.535 . . . . 20.0 110.807 -177.655 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.384 -0.817 . . . . 20.0 110.558 178.805 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.022 0.439 . . . . 20.0 110.862 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -123.88 -171.38 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.715 -0.476 . . . . 20.0 109.715 177.966 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.613 ' HD1' ' CD2' ' A' ' -5' ' ' TYR . 40.4 p90 -70.32 144.91 51.56 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.905 -0.406 . . . . 20.0 109.905 176.826 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -99.97 126.06 46.08 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.966 -0.383 . . . . 20.0 109.966 177.246 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.1 t0 69.47 123.91 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.282 0.989 . . . . 20.0 110.31 -175.411 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.53 -19.71 60.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.771 -176.339 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -115.2 50.82 0.95 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.018 -179.406 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -55.01 -19.63 7.37 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.828 0.677 . . . . 20.0 112.828 -173.594 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -64.89 -40.67 95.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.561 0.22 . . . . 20.0 111.582 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -133.76 -36.55 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.694 0.283 . . . . 20.0 111.175 -178.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 72.78 -59.32 0.57 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.176 0.99 . . . . 20.0 111.719 177.163 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.87 116.44 1.03 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.566 -0.531 . . . . 20.0 109.566 179.503 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 56' ' ' MET . 31.1 tp -84.43 -28.33 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.284 0.564 . . . . 20.0 109.882 -179.565 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -124.79 74.85 65.0 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.336 -0.987 . . . . 20.0 108.336 171.677 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -69.72 -31.08 21.39 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.537 2.158 . . . . 20.0 112.771 -171.21 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.0 mtm 71.23 -44.54 0.59 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.857 0.723 . . . . 20.0 110.776 -177.166 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.3 p -82.11 143.74 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.35 -0.611 . . . . 20.0 109.35 172.612 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 m 71.88 135.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.684 0.615 . . . . 20.0 110.704 -177.242 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 65.44 96.41 0.05 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.908 -0.587 . . . . 20.0 111.015 -176.198 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.625 ' HD1' ' CD2' ' A' ' 12' ' ' PHE . 95.6 m-85 -77.88 69.6 4.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.829 -0.623 . . . . 20.0 111.242 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' C ' ' HG1' ' A' ' 14' ' ' THR . 9.8 tp10 59.79 85.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.776 -0.647 . . . . 20.0 111.199 178.622 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.448 ' HG1' ' C ' ' A' ' 13' ' ' GLU . 29.3 p 52.5 84.46 0.05 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.633 -0.712 . . . . 20.0 112.115 179.399 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.423 HG23 ' H ' ' A' ' 17' ' ' GLN . 32.2 mm -59.28 125.04 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.331 -0.85 . . . . 20.0 110.431 177.441 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.68 -24.63 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 20.0 111.715 -177.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' H ' HG23 ' A' ' 15' ' ' ILE . 96.5 mt-30 -65.98 -24.59 66.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.469 -0.332 . . . . 20.0 110.627 178.441 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -70.68 -7.09 42.0 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.358 0.599 . . . . 20.0 110.142 -178.84 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.62 -22.59 65.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.93 -0.396 . . . . 20.0 109.93 174.013 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' ' HD1' ' A' ' 24' ' ' TRP . 14.3 t -70.45 -20.79 62.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 20.0 109.926 178.757 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.645 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 92.4 t80 -59.96 -32.2 70.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.267 176.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.02 -30.87 71.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.791 -0.64 . . . . 20.0 110.555 178.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.07 -42.13 89.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 20.0 110.045 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.438 ' HD1' ' O ' ' A' ' 20' ' ' SER . 58.0 m95 -66.82 -25.14 66.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.817 -0.629 . . . . 20.0 110.532 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.467 ' HG ' ' O ' ' A' ' 21' ' ' TYR . 84.4 mt -75.81 -47.69 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.979 -0.555 . . . . 20.0 110.038 176.427 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -65.91 -29.58 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 20.0 111.083 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.98 96.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.131 0.491 . . . . 20.0 110.398 175.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -71.68 -39.05 70.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.615 -0.72 . . . . 20.0 110.83 178.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.458 HG21 ' O ' ' A' ' 25' ' ' LEU . 84.4 t -63.31 -35.41 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.011 0.434 . . . . 20.0 111.03 179.333 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.74 -22.66 66.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 20.0 110.778 178.729 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.4 p -109.2 58.94 0.6 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.537 179.036 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.3 p -76.07 77.89 2.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.906 -0.588 . . . . 20.0 111.406 -177.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.2 tp -76.03 -29.26 58.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.066 -0.515 . . . . 20.0 109.771 177.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.97 137.2 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 20.0 110.358 177.942 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -70.77 137.22 85.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.84 -17.8 52.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.81 2.34 . . . . 20.0 112.037 178.343 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 61.55 104.37 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.233 0 O-C-N 123.788 0.68 . . . . 20.0 112.022 171.089 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -50.92 140.87 38.02 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 123.023 2.482 . . . . 20.0 112.051 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 72.23 140.39 0.05 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.999 0.812 . . . . 20.0 111.507 -177.716 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.5 mt 67.17 91.45 0.07 OUTLIER Pre-proline 0 C--O 1.234 0.26 0 CA-C-N 115.41 -0.814 . . . . 20.0 110.833 -176.593 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -67.25 119.83 6.86 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.955 2.436 . . . . 20.0 111.601 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.75 -28.55 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.508 -0.315 . . . . 20.0 110.98 -177.804 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.05 -26.97 64.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.855 0.359 . . . . 20.0 110.138 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -75.22 -33.85 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.241 0.544 . . . . 20.0 110.683 176.586 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.428 ' O ' ' HG2' ' A' ' 49' ' ' MET . 60.4 t -74.15 -44.59 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.8 -0.636 . . . . 20.0 110.295 179.128 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.47 -42.89 99.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.497 -0.774 . . . . 20.0 111.424 -178.61 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -69.07 -22.42 64.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 20.0 110.837 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -81.15 -29.64 34.66 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.499 -0.556 . . . . 20.0 109.499 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.428 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.3 mmt -66.13 -28.46 68.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.657 -0.701 . . . . 20.0 110.266 175.595 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.37 90.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.767 177.38 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -67.08 -34.13 77.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 20.0 110.467 177.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.43 -33.19 73.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.993 -0.548 . . . . 20.0 110.781 178.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.61 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 87.3 t80 -62.08 -32.9 73.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.148 0.499 . . . . 20.0 110.497 177.694 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.9 -33.38 75.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.939 -0.573 . . . . 20.0 110.374 177.351 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -83.67 -22.31 32.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.309 177.083 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.533 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.9 tmt? -65.07 -46.81 79.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 20.0 109.547 174.439 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -64.88 -42.94 94.4 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.518 -0.549 . . . . 20.0 109.518 176.787 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.5 tptt 66.23 114.86 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.932 0.716 . . . . 20.0 112.932 170.597 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 69.24 92.08 0.09 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.817 -1.083 . . . . 20.0 112.073 174.746 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -122.29 -178.88 4.0 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.322 -0.622 . . . . 20.0 109.322 174.102 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.4 p 47.12 80.98 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.501 0.501 . . . . 20.0 111.034 -176.74 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -55.88 128.06 33.28 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.058 -0.519 . . . . 20.0 111.222 -176.069 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.675 -0.679 . . . . 20.0 109.803 -179.627 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' -7' ' ' MET . . . . . 0.632 ' HA ' ' O ' ' A' ' -3' ' ' ASP . 71.2 mtm . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 120.69 0.281 . . . . 20.0 111.285 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.82 -51.34 70.0 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.006 -0.543 . . . . 20.0 111.57 -175.648 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -89.53 -72.75 0.54 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.936 -0.575 . . . . 20.0 110.115 -178.423 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -117.53 160.26 21.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.784 -0.644 . . . . 20.0 109.292 179.754 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.632 ' O ' ' HA ' ' A' ' -7' ' ' MET . 38.7 t70 62.39 74.6 0.43 Allowed 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.555 0.535 . . . . 20.0 110.321 176.68 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.36 -60.07 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.582 -0.735 . . . . 20.0 111.891 -174.026 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -83.03 102.8 12.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.552 0.692 . . . . 20.0 110.496 179.764 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.45 -39.77 22.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.56 -0.745 . . . . 20.0 110.255 -179.402 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -82.12 -10.85 59.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.617 -0.719 . . . . 20.0 110.271 -179.126 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.9 m120 64.19 50.13 2.47 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.218 -0.901 . . . . 20.0 110.448 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 3' ' ' ARG . 42.1 ttp180 -75.59 62.79 1.47 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.521 0.677 . . . . 20.0 111.022 -177.416 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.97 -50.93 0.6 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.468 -0.787 . . . . 20.0 109.023 175.293 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -109.7 42.48 1.49 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.369 -0.832 . . . . 20.0 108.87 171.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.36 130.47 94.21 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.973 -1.012 . . . . 20.0 111.459 -176.47 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.31 131.58 28.75 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.804 2.336 . . . . 20.0 112.082 -179.816 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 ttp 63.81 78.52 0.29 Allowed 'General case' 0 C--N 1.331 -0.197 0 O-C-N 123.782 0.676 . . . . 20.0 110.092 -177.846 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.49 -9.45 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.587 -0.733 . . . . 20.0 110.425 -178.544 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.7 p 48.89 85.55 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.411 0.684 . . . . 20.0 112.163 174.276 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -88.8 149.53 23.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.837 -0.62 . . . . 20.0 110.292 -179.671 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.661 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 95.4 m-85 -138.82 135.41 34.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.434 179.961 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 72.43 148.42 0.09 Allowed 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.783 0.677 . . . . 20.0 112.45 175.445 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p 54.91 22.36 4.25 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.078 0.951 . . . . 20.0 112.781 177.566 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.0 mt -71.24 -42.24 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.022 -0.535 . . . . 20.0 110.419 -178.323 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -63.92 -29.18 70.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 20.0 110.604 179.608 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -70.28 -45.03 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 20.0 110.239 -179.089 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.48 -36.26 83.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.511 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -68.07 -37.03 80.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.47 176.015 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -67.96 -21.94 65.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.146 0.498 . . . . 20.0 110.549 178.158 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.632 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 46.8 t80 -85.65 -41.91 14.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.93 -0.577 . . . . 20.0 109.872 177.762 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.71 -37.39 84.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 20.0 111.195 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.79 -34.46 77.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.903 0.382 . . . . 20.0 110.274 179.08 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -67.75 -40.48 84.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.989 -0.551 . . . . 20.0 109.993 176.466 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.57 -31.37 72.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.26 0.552 . . . . 20.0 110.425 177.712 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.461 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 45.0 ttp180 -76.58 -29.55 56.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.69 179.193 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.62 -31.69 20.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.569 -177.813 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -69.73 -69.56 0.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.423 -0.353 . . . . 20.0 110.654 -178.537 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t -99.96 -69.12 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.857 -0.337 . . . . 20.0 110.695 177.365 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.461 ' O ' ' HA ' ' A' ' 26' ' ' ARG . . . -166.4 -47.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.078 0.466 . . . . 20.0 110.391 -179.797 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.6 m -157.07 -54.67 0.08 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.903 -0.589 . . . . 20.0 109.552 176.384 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 m 50.93 45.86 27.04 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.135 0.493 . . . . 20.0 111.773 174.887 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.94 94.1 2.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.473 -0.936 . . . . 20.0 108.473 177.499 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.03 -166.17 0.19 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.684 -175.795 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.7 m-20 -80.35 143.71 56.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-O 120.596 0.236 . . . . 20.0 110.475 178.563 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 24.0 Cg_exo -65.31 -15.18 48.82 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.809 2.339 . . . . 20.0 111.287 174.842 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -124.5 76.23 62.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 20.0 109.437 174.818 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -79.14 166.84 22.44 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.891 2.394 . . . . 20.0 112.274 -176.018 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 126.42 27.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.226 177.478 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt 65.85 99.11 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 O-C-N 123.837 0.711 . . . . 20.0 110.237 -173.189 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -55.43 124.52 16.48 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.881 2.387 . . . . 20.0 112.178 -179.041 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -65.63 -24.13 66.97 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.348 -0.387 . . . . 20.0 110.475 -178.271 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.45 -35.1 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.398 178.862 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -66.74 -46.67 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.638 -0.71 . . . . 20.0 109.895 178.587 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.16 -49.05 84.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.48 -0.782 . . . . 20.0 110.706 -179.666 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.41 -35.85 80.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.887 -176.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.555 ' CZ ' ' HA ' ' A' ' 47' ' ' ARG . 1.3 tpm_? -62.6 -48.97 77.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.959 -0.564 . . . . 20.0 110.153 178.693 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -73.58 -26.56 60.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 20.0 110.638 -179.677 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 49.4 tpp -64.57 -35.73 81.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.578 . . . . 20.0 111.021 -179.449 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.07 84.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.068 0.461 . . . . 20.0 110.663 178.625 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.49 -22.13 28.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 20.0 110.29 178.092 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -64.43 -33.79 76.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 20.0 110.056 177.361 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.661 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 88.4 t80 -56.4 -39.71 73.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.362 177.462 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.24 -30.64 54.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.013 -0.54 . . . . 20.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -78.28 -28.18 47.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.167 0.508 . . . . 20.0 110.724 -178.492 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.5 tpt -89.94 10.0 25.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.322 0.582 . . . . 20.0 110.39 -179.808 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.52 -46.09 91.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.295 179.195 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -96.83 99.79 11.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.585 0.707 . . . . 20.0 109.859 175.119 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.416 ' CD ' ' HA ' ' A' ' 62' ' ' LYS . 42.4 tt0 -85.65 106.62 17.06 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.468 -0.787 . . . . 20.0 110.516 -176.356 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -0.6 52.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 20.0 110.973 -178.088 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.7 t -167.16 123.51 1.15 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.844 -0.798 . . . . 20.0 108.844 178.664 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.416 ' HA ' ' CD ' ' A' ' 59' ' ' GLU . 20.4 tptm -60.3 115.64 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.928 0.394 . . . . 20.0 111.35 -174.75 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.354 -0.831 . . . . 20.0 110.19 178.812 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 50.7 ttm . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.705 0.288 . . . . 20.0 110.774 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -144.41 104.86 4.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.803 0.335 . . . . 20.0 111.164 -178.416 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -108.36 134.5 51.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.507 -0.553 . . . . 20.0 109.507 177.027 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -80.66 81.23 6.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.227 0.537 . . . . 20.0 109.631 -179.485 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.433 ' HB2' ' OD1' ' A' ' 0' ' ' ASP . 8.7 p-10 -96.72 113.69 25.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.892 -0.595 . . . . 20.0 109.922 177.274 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -131.45 -62.29 0.88 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.928 0.394 . . . . 20.0 110.593 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -83.76 58.27 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 20.0 111.126 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . 0.433 ' OD1' ' HB2' ' A' ' -3' ' ' ASP . 5.3 m-20 -90.28 1.34 56.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.272 0.558 . . . . 20.0 110.541 177.29 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -64.93 -16.64 63.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.408 -0.815 . . . . 20.0 110.883 177.136 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.404 ' OD1' ' HD2' ' A' ' 3' ' ' ARG . 44.6 t-20 69.16 -67.92 0.2 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.766 0.826 . . . . 20.0 110.842 -179.383 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.404 ' HD2' ' OD1' ' A' ' 2' ' ' ASN . 15.2 mmm180 -83.12 89.67 6.97 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.869 -0.419 . . . . 20.0 109.869 -177.379 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.79 74.54 8.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.562 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.6 mt -87.84 35.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.141 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -66.98 131.65 93.83 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.599 -0.728 . . . . 20.0 110.394 179.118 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -57.0 108.97 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.751 2.301 . . . . 20.0 112.202 -179.315 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.5 mtm -86.77 138.62 31.45 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.55 -0.537 . . . . 20.0 109.55 177.358 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 m -93.53 143.21 12.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.461 -0.336 . . . . 20.0 110.558 -178.224 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.4 p -97.26 113.41 25.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.255 -0.43 . . . . 20.0 110.124 176.967 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 68.97 -156.08 0.17 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.449 178.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -61.29 146.26 48.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.903 0.382 . . . . 20.0 111.5 -176.831 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -94.37 17.11 13.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.215 0.531 . . . . 20.0 110.888 179.332 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.8 p -83.37 7.31 17.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 20.0 111.252 -179.773 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.1 mt -57.54 -41.75 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 20.0 110.607 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.89 -42.18 88.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.656 -0.702 . . . . 20.0 110.444 177.327 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.25 -43.18 98.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.309 179.68 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.92 -41.48 97.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.945 -0.571 . . . . 20.0 110.468 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -30.09 70.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 20.0 110.554 177.259 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 m -69.34 -41.25 76.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.099 -0.501 . . . . 20.0 109.936 176.914 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.64 ' HD2' ' CD1' ' A' ' 21' ' ' TYR . 16.1 m-85 -61.82 -43.27 99.18 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.514 -0.312 . . . . 20.0 110.369 176.921 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.1 -35.58 77.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 20.0 110.421 177.127 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -68.11 -37.72 81.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.294 -179.064 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -71.4 -33.53 69.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 20.0 110.588 177.008 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.54 -41.12 96.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.339 0.59 . . . . 20.0 109.462 174.773 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -61.36 -41.38 96.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.167 -0.924 . . . . 20.0 110.427 176.083 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.08 79.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -69.0 -52.09 32.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.803 179.137 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 p -66.62 -24.04 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 20.0 111.476 -175.734 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.68 4.77 41.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.881 0.372 . . . . 20.0 111.589 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m 53.85 44.52 29.4 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.618 -0.719 . . . . 20.0 110.943 179.127 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 m -116.64 38.8 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 20.0 111.159 -175.67 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.73 144.12 33.93 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.3 -0.63 . . . . 20.0 109.3 175.776 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 55.39 56.96 5.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.421 0.629 . . . . 20.0 110.095 -175.39 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -62.52 135.87 95.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.258 -0.883 . . . . 20.0 111.45 -175.009 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.72 148.19 28.57 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.907 2.405 . . . . 20.0 112.27 -179.81 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 52.13 65.91 5.7 Favored Pre-proline 0 N--CA 1.464 0.225 0 CA-C-N 115.62 -0.718 . . . . 20.0 111.09 -179.28 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.38 -32.12 61.19 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.518 2.145 . . . . 20.0 112.189 -178.274 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.419 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . 49.07 70.81 0.43 Allowed 'General case' 0 C--O 1.238 0.467 0 O-C-N 123.825 0.703 . . . . 20.0 111.247 178.923 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.7 mt -94.83 109.61 44.89 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.252 -0.886 . . . . 20.0 110.1 -177.837 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.461 ' O ' HG21 ' A' ' 45' ' ' VAL . 22.4 Cg_exo -61.13 159.16 31.36 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.859 2.373 . . . . 20.0 112.436 178.828 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.522 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 14.5 t-80 -56.23 -43.74 78.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.387 0.137 . . . . 20.0 110.975 -176.228 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -62.31 -40.57 96.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.471 -0.332 . . . . 20.0 110.935 -179.205 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.479 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 59.2 mm-40 -62.9 -44.21 96.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.016 176.824 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.461 HG21 ' O ' ' A' ' 41' ' ' PRO . 88.9 t -57.08 -50.9 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.81 179.541 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 35.0 mt-10 -60.36 -46.37 90.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.334 -0.393 . . . . 20.0 111.469 -177.335 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -69.38 -44.68 71.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.228 -0.442 . . . . 20.0 111.24 -177.771 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.479 ' HD3' ' O ' ' A' ' 44' ' ' GLU . 2.7 mpt_? -74.64 -28.26 60.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.331 -0.395 . . . . 20.0 111.307 -176.492 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.427 ' HA ' ' HB2' ' A' ' 53' ' ' PHE . 45.3 ttm -65.44 -38.04 88.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.257 0.551 . . . . 20.0 110.213 177.355 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.73 -51.97 14.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.405 -0.816 . . . . 20.0 111.275 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.93 -66.08 0.96 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.044 0.387 . . . . 20.0 112.044 -174.178 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -64.6 -61.84 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.566 0.58 . . . . 20.0 112.566 -172.088 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.646 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 46.7 m-85 -60.27 -35.29 75.19 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.221 0.452 . . . . 20.0 112.221 -172.248 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.61 80.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.848 0.356 . . . . 20.0 111.001 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -76.74 -31.14 56.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.9 0.381 . . . . 20.0 110.351 179.574 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.426 ' HB3' ' HA ' ' A' ' 53' ' ' PHE . 21.8 ttt -60.88 -39.19 88.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 20.0 110.964 177.837 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -72.25 -43.79 63.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.396 . . . . 20.0 110.372 177.252 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 59' ' ' GLU . 87.3 tttt 61.49 97.69 0.03 OUTLIER 'General case' 0 C--O 1.236 0.385 0 O-C-N 123.635 0.585 . . . . 20.0 111.429 177.292 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' HB3' ' O ' ' A' ' 58' ' ' LYS . 37.4 tt0 71.41 100.22 0.06 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.741 -0.663 . . . . 20.0 110.825 -179.233 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -83.94 45.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.96 -0.563 . . . . 20.0 110.937 -179.108 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -149.35 58.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.186 0.517 . . . . 20.0 110.542 179.579 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -89.88 102.29 14.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 20.0 109.588 174.772 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.513 -0.756 . . . . 20.0 109.682 -179.569 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 109.861 -0.422 . . . . 20.0 109.861 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -131.48 79.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.919 0.39 . . . . 20.0 111.086 178.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -151.27 155.63 39.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.187 175.459 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -149.17 -0.19 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.208 -0.451 . . . . 20.0 110.993 -178.057 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -127.05 122.91 35.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.583 -175.379 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -130.66 -68.1 0.7 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.513 -0.551 . . . . 20.0 109.513 171.672 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -177.29 -43.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.181 0.3 . . . . 20.0 111.799 173.336 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -67.93 -44.54 76.6 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.077 0.399 . . . . 20.0 112.077 -173.916 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -86.68 -1.99 58.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.45 -0.341 . . . . 20.0 111.149 -175.979 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -139.59 55.68 1.66 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.478 0.656 . . . . 20.0 110.75 -176.214 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -82.39 56.02 3.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.886 -0.597 . . . . 20.0 110.394 -179.774 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.23 -40.05 27.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.772 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 50.23 63.49 2.18 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.297 0.57 . . . . 20.0 110.296 -177.353 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m -136.63 86.55 22.45 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.588 -0.733 . . . . 20.0 110.136 -178.516 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -74.51 53.03 3.0 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.069 2.512 . . . . 20.0 112.603 -177.996 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.8 mtm -128.05 9.7 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.7 179.239 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 m -79.34 123.84 36.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.308 0.575 . . . . 20.0 110.621 -178.41 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.0 m -151.93 60.53 0.85 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.5 0.667 . . . . 20.0 109.957 179.663 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -110.85 166.64 10.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.146 -0.934 . . . . 20.0 110.095 -178.302 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.5 t80 68.21 115.81 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.956 0.785 . . . . 20.0 111.536 179.022 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 14' ' ' THR . 41.8 tt0 68.94 173.2 0.29 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.711 -0.677 . . . . 20.0 111.33 175.406 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.461 ' N ' ' HG2' ' A' ' 13' ' ' GLU . 40.0 p 56.69 58.05 4.37 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.966 0.906 . . . . 20.0 112.067 176.242 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.8 pt -135.68 161.33 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.447 -0.797 . . . . 20.0 111.058 177.711 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -54.59 38.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.189 -0.46 . . . . 20.0 112.126 -175.773 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.32 -27.49 68.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.937 0.347 . . . . 20.0 111.937 -174.005 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -74.11 -46.66 41.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.006 0.432 . . . . 20.0 109.849 178.499 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -68.14 -35.57 78.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.565 179.558 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.1 m -63.98 -34.51 78.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.673 178.55 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.666 ' HE1' ' CE2' ' A' ' 21' ' ' TYR . 36.5 t80 -70.07 -32.67 70.86 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.758 -0.46 . . . . 20.0 109.758 179.246 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -69.83 -32.45 70.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 20.0 109.924 177.464 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.51 -35.68 78.39 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.209 -0.451 . . . . 20.0 110.441 175.127 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.489 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 11.8 m95 -71.02 -35.4 72.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.072 -0.513 . . . . 20.0 110.334 176.466 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -40.35 85.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.342 0.591 . . . . 20.0 109.564 178.239 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -66.71 -27.47 67.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.688 177.779 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.5 0.05 44.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 20.0 111.388 -178.621 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.489 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 68.1 mttm -86.93 -11.95 49.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 20.0 110.957 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.96 -40.05 84.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.037 -0.529 . . . . 20.0 109.758 176.428 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.96 111.72 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.06 0.85 . . . . 20.0 112.339 176.994 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 p -76.67 61.4 1.82 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.816 177.107 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m -114.52 39.56 2.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 20.0 110.023 -179.713 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -99.43 -22.34 15.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.942 -0.572 . . . . 20.0 110.148 -178.869 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.7 73.45 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.883 -0.599 . . . . 20.0 110.861 -178.676 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -131.98 80.14 65.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.141 -0.481 . . . . 20.0 109.858 176.778 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.38 -12.07 12.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.524 2.149 . . . . 20.0 113.396 -175.569 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -130.3 90.22 42.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 20.0 111.084 -176.806 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.11 73.66 5.92 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.095 2.53 . . . . 20.0 111.386 175.501 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.27 -3.18 58.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.708 -0.678 . . . . 20.0 111.788 -176.475 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.425 HD13 ' N ' ' A' ' 40' ' ' ILE . 4.0 mp -79.2 123.65 84.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.433 -0.58 . . . . 20.0 109.433 178.515 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.84 120.53 7.76 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.178 2.585 . . . . 20.0 112.662 -176.18 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -60.45 -33.23 72.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.264 -0.88 . . . . 20.0 111.644 -175.512 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.47 -35.24 77.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.982 0.42 . . . . 20.0 110.738 -178.949 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -79.21 -39.07 34.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.023 -0.535 . . . . 20.0 110.434 178.945 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.12 -51.61 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 20.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -60.42 -26.24 66.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.47 . . . . 20.0 111.235 179.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -80.57 -50.08 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.163 -0.471 . . . . 20.0 110.801 -179.122 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.416 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 75.9 ttt180 -75.11 -40.42 59.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 20.0 111.046 -176.162 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.5 ttm -62.91 -26.64 68.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 20.0 110.441 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.15 78.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.619 176.004 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -84.3 -27.08 28.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.741 -0.663 . . . . 20.0 109.567 179.519 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.416 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 31.1 mmm180 -76.43 -19.13 58.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.274 -0.875 . . . . 20.0 110.58 179.378 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -46.86 -46.53 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.445 0.698 . . . . 20.0 112.313 -174.798 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.71 -48.2 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.761 0.315 . . . . 20.0 111.377 -178.463 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -71.29 -26.13 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.302 0.573 . . . . 20.0 110.847 -177.738 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.3 ttt -68.25 -43.04 78.74 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.294 -0.866 . . . . 20.0 110.843 178.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -88.32 -58.85 2.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.989 -0.55 . . . . 20.0 111.043 -174.838 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 55.47 86.97 0.05 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.482 0.489 . . . . 20.0 111.369 -179.444 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.19 101.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.757 -0.656 . . . . 20.0 111.148 -179.319 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -99.84 -9.25 23.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.009 0.433 . . . . 20.0 110.975 -179.209 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.8 t -167.81 -73.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.82 -0.627 . . . . 20.0 109.804 178.773 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -105.74 -37.32 6.76 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.612 -0.884 . . . . 20.0 108.612 174.42 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 114.383 -1.28 . . . . 20.0 107.629 176.369 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 20.2 mmt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.931 0.396 . . . . 20.0 110.017 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -76.94 -74.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.581 -0.526 . . . . 20.0 109.581 176.549 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.663 ' HD1' ' CD2' ' A' ' -5' ' ' TYR . 40.0 p90 -75.79 154.05 36.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.565 -0.902 . . . . 20.0 108.565 172.564 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -132.99 155.49 49.06 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.972 0.415 . . . . 20.0 111.431 -170.225 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.04 178.71 4.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.568 -0.742 . . . . 20.0 109.263 176.457 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -60.91 -54.79 40.76 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.197 -0.668 . . . . 20.0 109.197 174.625 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -116.28 101.25 8.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.13 -0.941 . . . . 20.0 109.191 172.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -69.57 -27.53 65.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.115 -0.493 . . . . 20.0 110.994 -176.798 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -92.85 -12.59 30.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.163 178.376 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 69.55 -55.62 0.58 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.736 0.814 . . . . 20.0 112.326 177.496 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.5 151.66 21.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.463 -0.335 . . . . 20.0 111.074 -174.432 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.03 167.34 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 20.0 109.977 177.746 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.8 mt -125.42 113.77 17.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.667 0.27 . . . . 20.0 110.919 -177.59 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -77.73 134.48 65.1 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.118 176.838 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -78.0 134.86 13.48 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.504 2.136 . . . . 20.0 112.49 179.692 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ttt 57.89 64.75 1.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.391 178.615 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.3 m -134.95 131.44 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.456 176.158 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.8 m 63.24 43.59 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.467 0.651 . . . . 20.0 110.746 178.742 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.08 -169.82 1.58 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.491 -0.777 . . . . 20.0 108.951 177.161 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.655 ' HE1' ' CE2' ' A' ' 12' ' ' PHE . 52.0 p90 -56.93 -44.22 82.26 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.725 -0.39 . . . . 20.0 110.257 177.326 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 42.11 55.33 3.91 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.949 0.781 . . . . 20.0 112.379 172.889 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -97.12 34.86 1.67 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.32 0.581 . . . . 20.0 110.21 178.608 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.2 mt -128.01 28.15 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.621 -0.718 . . . . 20.0 109.072 -176.778 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.17 -58.91 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.38 -0.827 . . . . 20.0 111.486 -173.537 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -68.94 -39.08 79.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.296 -0.411 . . . . 20.0 110.884 -176.542 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.52 -40.36 73.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.545 -0.298 . . . . 20.0 111.124 -175.799 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -70.61 -27.98 64.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.329 -0.248 . . . . 20.0 110.329 179.738 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.7 m -64.85 -39.48 93.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.977 0.417 . . . . 20.0 110.603 178.075 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.479 ' HD1' ' O ' ' A' ' 17' ' ' GLN . 62.0 m-85 -78.65 -24.4 45.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.464 176.955 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.77 -48.07 41.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.094 -0.503 . . . . 20.0 110.425 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 24' ' ' TRP . 9.3 pt-20 -61.62 -41.12 97.03 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.076 0.465 . . . . 20.0 110.339 177.434 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.422 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 67.9 t-105 -65.33 -37.58 87.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.692 -0.685 . . . . 20.0 110.665 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.431 ' O ' HG13 ' A' ' 29' ' ' VAL . 34.0 tp -66.52 -40.7 89.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.365 -0.379 . . . . 20.0 110.168 179.13 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -59.52 -42.75 92.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.599 177.244 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.59 77.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.929 179.268 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -78.03 -51.63 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 20.0 111.344 -178.867 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.431 HG13 ' O ' ' A' ' 25' ' ' LEU . 9.2 p -77.73 -33.33 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.06 0.393 . . . . 20.0 112.06 -171.884 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.77 -22.13 15.49 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.997 -0.281 . . . . 20.0 111.525 -176.553 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.4 p 58.04 -75.46 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.339 1.055 . . . . 20.0 112.438 -177.612 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.1 t -90.21 115.7 27.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.143 -0.317 . . . . 20.0 110.143 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.44 HD21 ' O ' ' A' ' 33' ' ' LEU . 6.3 tt -75.24 -30.68 60.58 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.896 -0.779 . . . . 20.0 108.896 176.275 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.49 158.08 31.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.604 -0.725 . . . . 20.0 109.517 173.578 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -67.0 114.0 16.01 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.789 0.328 . . . . 20.0 110.822 -177.971 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -76.1 113.51 3.72 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.325 2.016 . . . . 20.0 111.994 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 ptm85 -119.88 131.88 24.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.252 -0.431 . . . . 20.0 110.532 179.67 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.77 79.49 2.25 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.724 2.283 . . . . 20.0 112.033 178.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.04 138.74 38.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.515 -0.766 . . . . 20.0 110.992 -179.489 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 40' ' ' ILE . 3.4 mp -76.01 122.9 87.82 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 20.0 109.579 178.308 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.49 118.58 2.63 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.334 2.689 . . . . 20.0 112.704 -178.547 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -69.34 -25.5 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 20.0 110.752 -177.263 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.05 -28.21 62.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.402 -179.72 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 34.3 tt0 -77.99 -36.71 48.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.005 -0.543 . . . . 20.0 110.364 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.7 t -75.43 -48.22 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 20.0 110.717 179.255 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -59.72 -34.92 73.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 20.0 111.762 -174.809 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 19.7 ptp180 -66.45 -33.96 76.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.794 0.33 . . . . 20.0 110.613 -179.077 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -85.95 -32.52 21.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.241 0.543 . . . . 20.0 110.09 178.942 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.7 tpp -66.58 -30.45 70.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.378 -0.828 . . . . 20.0 110.513 -179.272 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.25 78.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.778 -0.646 . . . . 20.0 111.323 177.794 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.41 -35.24 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.371 179.698 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -60.09 -45.66 92.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.852 -0.613 . . . . 20.0 110.406 178.317 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.27 -40.57 96.68 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.854 -0.612 . . . . 20.0 110.43 178.574 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.69 90.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.096 -0.502 . . . . 20.0 111.263 -178.729 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.463 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 10.9 mmpt? -71.14 -33.75 70.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.59 -178.053 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 ptm -84.74 -15.53 44.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.04 0.448 . . . . 20.0 110.579 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -88.02 -56.85 3.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.554 . . . . 20.0 110.624 179.841 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.404 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -142.89 96.26 2.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.211 -0.449 . . . . 20.0 110.447 -178.7 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.67 116.79 29.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.388 -0.369 . . . . 20.0 110.935 -179.778 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 59.4 -163.53 0.23 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.894 -0.594 . . . . 20.0 110.679 -177.402 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t 71.04 105.69 0.06 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.504 0.503 . . . . 20.0 111.587 175.822 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.89 88.74 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.761 -0.459 . . . . 20.0 109.761 175.281 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.581 -0.723 . . . . 20.0 110.287 -178.424 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 66.7 mtm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.071 -0.344 . . . . 20.0 110.071 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 69.19 -63.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.131 0.895 . . . . 20.0 111.435 -178.379 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -124.79 164.92 18.95 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.836 -0.431 . . . . 20.0 109.836 179.614 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -84.82 45.58 1.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.441 0.638 . . . . 20.0 110.139 177.09 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -140.71 37.27 1.82 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.042 -0.981 . . . . 20.0 108.481 179.048 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -80.15 -45.32 18.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.836 -1.075 . . . . 20.0 109.048 -179.06 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -119.39 148.9 42.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.869 -1.06 . . . . 20.0 109.656 177.418 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -86.31 1.52 50.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 20.0 110.988 -177.711 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -86.63 -11.18 52.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.904 -0.589 . . . . 20.0 110.403 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 64.7 30.05 12.62 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.396 -0.82 . . . . 20.0 110.571 -179.521 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -121.26 72.78 1.0 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.365 0.602 . . . . 20.0 110.043 -177.37 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.87 31.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.466 -0.788 . . . . 20.0 110.306 178.166 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.1 mt -94.31 56.3 2.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.393 -176.799 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -134.2 75.46 65.35 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.956 -0.565 . . . . 20.0 110.104 178.394 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -87.1 26.57 0.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.547 2.165 . . . . 20.0 112.572 -178.034 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.9 ttp 57.39 78.55 0.23 Allowed 'General case' 0 C--O 1.227 -0.092 0 CA-C-N 115.584 -0.735 . . . . 20.0 110.358 -176.811 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.6 m -87.32 34.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.243 -0.435 . . . . 20.0 111.838 -174.615 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.9 m 56.08 52.15 10.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.81 -0.632 . . . . 20.0 110.84 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 67.69 105.72 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.659 -0.701 . . . . 20.0 110.855 -179.174 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.633 ' HD2' ' CD1' ' A' ' 12' ' ' PHE . 25.9 p90 -72.43 -39.64 67.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.27 -0.423 . . . . 20.0 109.96 176.941 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 67.2 -17.23 0.14 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.992 0.917 . . . . 20.0 113.39 173.124 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.464 ' H ' ' C ' ' A' ' 12' ' ' PHE . 5.9 p -66.44 136.93 56.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.863 -0.421 . . . . 20.0 109.863 175.406 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.749 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 47.2 mm -79.29 127.19 39.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.348 -0.612 . . . . 20.0 109.348 -178.252 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -54.13 -27.18 31.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.076 -0.511 . . . . 20.0 112.324 -175.745 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.458 ' H ' HG23 ' A' ' 15' ' ' ILE . 29.3 mm-40 -77.34 -15.88 59.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.463 0.542 . . . . 20.0 112.463 -179.679 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.749 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 10.3 pt-20 -84.81 0.62 50.17 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.744 -0.383 . . . . 20.0 110.59 -178.335 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 5.5 p30 -61.21 -32.27 72.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 20.0 110.224 -178.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 p -72.82 -27.38 61.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.876 -0.602 . . . . 20.0 111.289 -177.326 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.608 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 77.5 t80 -62.36 -43.29 99.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.604 -178.451 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -69.56 -31.76 70.14 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.417 -0.586 . . . . 20.0 109.417 178.83 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 19' ' ' ASN . 31.6 mm-40 -63.5 -42.9 98.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.815 -0.63 . . . . 20.0 110.496 177.47 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.465 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 17.4 m0 -66.25 -35.55 80.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.681 179.113 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.63 -38.66 80.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 20.0 110.355 178.129 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -62.8 -27.63 69.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.794 179.241 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.31 -30.62 17.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 20.0 111.244 179.126 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -67.11 -26.15 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.88 -0.6 . . . . 20.0 111.342 -176.146 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.93 -16.44 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.304 0.573 . . . . 20.0 110.683 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.79 67.93 1.27 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.962 -0.563 . . . . 20.0 109.959 176.022 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m -80.53 137.14 36.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.62 -0.718 . . . . 20.0 110.663 -178.745 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 p -94.54 145.22 24.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.703 -0.226 . . . . 20.0 110.763 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.6 mt 63.06 26.97 15.66 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.47 0.481 . . . . 20.0 111.233 179.669 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.52 139.17 7.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.59 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 19.3 m-20 -80.91 117.27 67.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 109.567 -0.531 . . . . 20.0 109.567 175.053 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 8.6 Cg_exo -72.85 72.43 3.2 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.805 2.337 . . . . 20.0 111.862 178.643 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 53.61 80.97 0.27 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.293 -0.867 . . . . 20.0 110.535 -177.13 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.19 108.08 1.68 Allowed 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.577 2.185 . . . . 20.0 112.18 -177.072 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.64 111.17 15.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.861 -0.608 . . . . 20.0 110.355 179.283 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.0 pt -109.07 120.91 44.42 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.109 -0.496 . . . . 20.0 110.431 179.359 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.95 119.4 6.17 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.446 2.097 . . . . 20.0 112.693 -176.787 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -80.23 -2.74 46.28 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.741 -0.466 . . . . 20.0 109.741 177.807 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -60.94 -24.04 65.75 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.744 -0.662 . . . . 20.0 110.914 177.342 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.77 -44.04 85.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 20.0 110.81 178.312 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.2 t -68.5 -44.99 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 20.0 110.529 -179.428 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.45 -41.72 98.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.726 -0.67 . . . . 20.0 110.394 -178.522 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -64.44 -35.8 82.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.223 0.535 . . . . 20.0 110.451 178.377 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -72.37 -39.26 68.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.482 -0.781 . . . . 20.0 110.743 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 42.3 tpp -76.74 -40.93 46.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.839 -177.438 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.44 62.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 20.0 111.72 -177.402 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -54.41 -35.29 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.127 -0.488 . . . . 20.0 111.501 -178.36 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -84.98 -26.94 26.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.865 0.364 . . . . 20.0 111.267 -177.703 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -85.43 -42.83 14.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.475 -0.33 . . . . 20.0 111.251 -176.859 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.99 79.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.02 -0.536 . . . . 20.0 111.652 -175.137 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.73 -33.77 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.407 -0.36 . . . . 20.0 111.273 -178.203 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 58.8 ttp -70.29 -35.19 73.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 20.0 110.371 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -84.87 -4.71 59.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.555 . . . . 20.0 110.822 179.405 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -74.91 -44.08 50.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.747 -0.464 . . . . 20.0 109.747 179.194 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -78.68 116.75 19.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 20.0 109.98 174.975 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.503 ' HA ' ' NE ' ' A' ' 60' ' ' ARG . 4.3 mmp_? -104.39 50.9 0.78 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.108 0.48 . . . . 20.0 109.872 177.334 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.8 t -65.71 130.31 42.83 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.63 -176.677 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.8 tttp 59.71 42.02 17.56 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.431 0.634 . . . . 20.0 110.47 176.527 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.724 -0.655 . . . . 20.0 110.327 -178.421 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.0 0.429 . . . . 20.0 110.348 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.76 -61.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.954 -0.566 . . . . 20.0 110.504 178.982 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.626 ' HD1' ' CD2' ' A' ' -5' ' ' TYR . 97.4 m-85 -128.19 160.39 32.22 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.298 -0.41 . . . . 20.0 110.372 178.225 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 170.15 22.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.072 -0.714 . . . . 20.0 109.072 174.54 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -79.53 90.05 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.929 0.395 . . . . 20.0 111.59 -176.036 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -90.89 -40.45 11.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.92 -0.582 . . . . 20.0 110.308 176.055 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.49 -37.53 87.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.467 -0.788 . . . . 20.0 111.066 -177.386 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.28 -12.58 61.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 20.0 111.445 -178.286 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.485 ' HZ2' ' HB3' ' A' ' 1' ' ' LYS . 8.6 mtpm? -75.37 -11.09 59.98 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.056 0.455 . . . . 20.0 110.533 178.559 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -118.6 147.8 43.36 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.792 -0.818 . . . . 20.0 108.792 177.163 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -83.5 61.45 6.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.474 0.654 . . . . 20.0 110.465 178.137 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.58 152.55 41.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.328 -0.851 . . . . 20.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.22 104.72 0.41 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.997 0.427 . . . . 20.0 110.064 178.769 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.454 ' C ' ' H ' ' A' ' 8' ' ' MET . 9.3 m -120.14 137.01 25.45 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.767 -0.652 . . . . 20.0 110.108 -176.997 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.96 22.07 0.26 Allowed 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.874 2.382 . . . . 20.0 113.016 -177.993 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.454 ' H ' ' C ' ' A' ' 6' ' ' SER . 1.8 tmt? -68.91 -36.44 78.02 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.644 -0.502 . . . . 20.0 109.644 178.341 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.4 m -76.03 132.87 32.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.043 -0.526 . . . . 20.0 110.058 175.784 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 m -99.96 37.83 1.57 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.467 -0.333 . . . . 20.0 111.21 -175.55 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 68.85 161.49 0.2 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.788 -0.642 . . . . 20.0 111.342 -179.732 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.592 ' HE1' ' CE2' ' A' ' 12' ' ' PHE . 96.9 m-85 -117.43 147.66 42.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.379 -178.194 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.41 144.72 32.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.323 178.357 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -90.16 120.87 31.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.29 -0.414 . . . . 20.0 110.091 175.96 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.475 HG21 ' H ' ' A' ' 18' ' ' GLU . 3.9 mp -92.13 105.66 16.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.553 -0.536 . . . . 20.0 109.553 177.433 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -34.54 78.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 20.0 111.351 -174.861 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -74.93 -34.82 62.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.423 -178.208 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' H ' HG21 ' A' ' 15' ' ' ILE . 40.6 tt0 -79.33 -28.09 42.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.203 0.525 . . . . 20.0 109.697 -178.844 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -70.4 -17.27 63.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 20.0 110.686 174.531 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -69.64 -25.7 64.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.223 0.535 . . . . 20.0 109.606 176.024 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.442 ' HA ' ' HB3' ' A' ' 24' ' ' TRP . 54.2 m-85 -72.42 -18.24 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.4 177.504 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -70.78 -39.88 72.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.229 -0.656 . . . . 20.0 109.229 176.064 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -36.51 65.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.064 175.366 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.442 ' HB3' ' HA ' ' A' ' 21' ' ' TYR . 67.0 t-105 -59.91 -28.86 67.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.758 -0.655 . . . . 20.0 110.713 175.984 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 ' O ' HD11 ' A' ' 25' ' ' LEU . 3.0 tm? -58.93 -38.59 79.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.795 -0.446 . . . . 20.0 109.795 177.141 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -77.97 -21.19 51.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.822 -178.527 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.98 -36.07 16.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.209 -0.451 . . . . 20.0 111.131 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.41 -37.66 84.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.823 -0.626 . . . . 20.0 111.026 -177.358 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.68 -23.6 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.085 0.469 . . . . 20.0 110.908 179.751 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.88 -31.02 20.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 20.0 110.399 179.26 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 m -74.04 -44.13 55.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.174 177.419 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.8 m -83.35 60.55 5.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.177 0.513 . . . . 20.0 110.084 177.601 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.6 tp -87.92 -26.8 22.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.849 -0.614 . . . . 20.0 111.197 -175.907 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.11 58.22 1.83 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 20.0 110.45 179.1 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -111.17 144.98 31.54 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.879 -0.601 . . . . 20.0 110.531 -178.164 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -96.13 31.9 0.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.238 2.625 . . . . 20.0 111.719 173.256 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 61.89 81.75 0.23 Allowed Pre-proline 0 C--O 1.233 0.216 0 CA-C-N 115.509 -0.768 . . . . 20.0 110.729 -174.116 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.3 -28.65 47.11 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.754 2.303 . . . . 20.0 111.321 179.055 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.93 81.35 8.56 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.59 -0.732 . . . . 20.0 110.254 178.057 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.0 114.5 46.99 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.535 -0.757 . . . . 20.0 109.549 177.788 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -58.83 117.24 3.93 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.045 1.83 . . . . 20.0 111.849 -179.258 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -91.94 -0.13 57.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.117 0.484 . . . . 20.0 109.908 177.451 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.59 -35.79 75.0 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.61 -0.723 . . . . 20.0 110.272 176.404 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -56.96 -40.92 77.37 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.537 0.684 . . . . 20.0 110.065 177.288 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.7 t -71.79 -56.28 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.057 -0.974 . . . . 20.0 110.604 -178.934 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.76 -35.25 68.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.919 -0.582 . . . . 20.0 111.441 -177.944 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.439 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 14.1 ttm180 -63.08 -51.27 67.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 20.0 111.401 -178.57 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -77.47 -36.46 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.154 -175.418 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -39.16 89.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.586 -0.279 . . . . 20.0 110.551 176.323 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.26 -37.5 80.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 20.0 110.935 177.442 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 43.2 mt-10 -65.06 -35.44 81.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.107 178.763 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -72.71 -44.97 61.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.577 -0.738 . . . . 20.0 110.802 178.989 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -63.85 -39.51 94.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.495 -0.321 . . . . 20.0 110.75 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.4 -24.0 67.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.967 0.413 . . . . 20.0 111.06 178.911 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -90.22 -52.76 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.937 -0.574 . . . . 20.0 111.151 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 59.9 ttp -79.6 -46.33 17.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.451 -0.341 . . . . 20.0 111.633 -173.537 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -72.26 -45.24 60.99 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.927 -0.768 . . . . 20.0 108.927 179.239 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? 55.24 71.55 0.53 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.323 -0.853 . . . . 20.0 111.221 174.804 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -88.0 -37.65 16.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.518 0.675 . . . . 20.0 109.916 176.782 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.447 ' HB3' ' HB2' ' A' ' 63' ' ' GLN . 85.1 mtm180 -131.89 89.98 2.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.047 -0.979 . . . . 20.0 110.798 -170.552 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 p -73.59 -46.71 45.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.341 -0.39 . . . . 20.0 110.693 177.469 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -134.08 32.92 3.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.451 . . . . 20.0 110.512 178.131 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.447 ' HB2' ' HB3' ' A' ' 60' ' ' ARG . 21.7 mt-30 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.579 -0.724 . . . . 20.0 110.014 -179.098 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.366 0.127 . . . . 20.0 111.0 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 179.58 152.43 0.42 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.561 -0.29 . . . . 20.0 111.351 179.869 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 50.92 -92.48 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.387 1.255 . . . . 20.0 114.387 169.365 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.449 ' H ' ' HD3' ' A' ' -4' ' ' LYS . 0.7 OUTLIER -123.47 2.49 9.03 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.94 -0.304 . . . . 20.0 111.208 -173.373 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -70.9 -28.1 64.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.117 0.484 . . . . 20.0 110.781 -179.572 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.02 14.61 21.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.152 0.501 . . . . 20.0 110.639 -178.098 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -101.45 64.98 1.02 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.787 -0.82 . . . . 20.0 108.787 175.029 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' A' ' 4' ' ' ALA . 4.9 p-10 -69.96 -27.64 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.512 -0.767 . . . . 20.0 110.605 -178.091 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -69.08 -3.6 13.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.781 -0.645 . . . . 20.0 111.26 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -62.17 -45.67 92.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.264 -0.426 . . . . 20.0 110.71 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -150.93 52.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 20.0 110.642 -177.092 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 0' ' ' ASP . . . -96.39 67.9 2.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.926 -0.579 . . . . 20.0 111.584 -177.313 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt 55.22 55.1 7.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.17 -0.468 . . . . 20.0 111.376 177.296 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m 65.25 98.6 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 115.634 -0.712 . . . . 20.0 111.416 178.075 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.02 141.45 56.99 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.914 2.409 . . . . 20.0 111.961 179.795 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 59.81 87.76 0.08 Allowed 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.541 0.525 . . . . 20.0 109.955 -173.056 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.1 t -52.01 122.51 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.69 . . . . 20.0 111.047 -175.695 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -88.63 79.69 7.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.716 -0.674 . . . . 20.0 110.787 -175.524 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -87.35 167.37 14.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.638 -0.875 . . . . 20.0 108.638 172.967 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.627 ' HE1' ' CE2' ' A' ' 12' ' ' PHE . 86.4 m-85 -50.44 -52.42 38.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.631 0.604 . . . . 20.0 112.631 -172.205 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -145.55 -72.85 0.24 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.855 0.36 . . . . 20.0 110.381 -179.082 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 t -78.4 129.99 35.59 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.391 -0.596 . . . . 20.0 109.391 177.184 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 18' ' ' GLU . 28.3 mm -93.47 97.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.22 0.533 . . . . 20.0 109.563 -176.317 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -73.23 -29.43 62.78 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.936 -0.575 . . . . 20.0 110.205 -175.328 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -65.44 -28.98 69.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.947 -0.57 . . . . 20.0 109.926 175.69 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.412 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 39.6 tt0 -66.29 -41.16 90.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.208 179.24 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.85 -40.52 54.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.499 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -70.24 -12.46 61.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.023 0.439 . . . . 20.0 111.172 179.243 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.649 ' HD1' ' CD2' ' A' ' 21' ' ' TYR . 64.8 t80 -77.13 -18.3 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.007 0.432 . . . . 20.0 110.305 177.473 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -62.48 -37.47 86.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.593 178.983 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -60.07 -37.71 80.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.726 176.597 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -66.64 -44.18 82.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.956 -0.566 . . . . 20.0 109.851 178.327 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.504 ' O ' HG21 ' A' ' 29' ' ' VAL . 96.4 mt -61.41 -47.33 86.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.513 177.415 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -55.27 -42.46 73.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 20.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.22 86.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.93 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -74.98 -35.06 62.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.68 -178.666 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 25' ' ' LEU . 84.2 t -66.53 -31.88 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.22 0.533 . . . . 20.0 110.288 176.988 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.53 -4.34 26.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 20.0 111.089 178.645 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.1 m 76.39 128.36 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.431 -0.804 . . . . 20.0 111.609 177.158 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.7 m -74.33 142.49 45.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.964 -0.562 . . . . 20.0 109.83 176.384 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -57.9 100.23 0.05 Allowed 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.44 0.462 . . . . 20.0 111.209 -178.3 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.29 147.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.473 -0.785 . . . . 20.0 109.875 -179.846 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -126.2 88.85 53.53 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 109.546 -0.538 . . . . 20.0 109.546 177.141 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.11 85.5 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.862 2.374 . . . . 20.0 111.976 -177.76 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -116.72 124.39 29.39 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.573 -176.031 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -75.65 78.3 3.11 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.33 2.02 . . . . 20.0 111.711 177.032 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 69.27 152.72 0.1 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.372 -0.831 . . . . 20.0 111.201 -177.787 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 pt -90.39 123.8 64.55 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.834 178.757 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.409 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 89.9 Cg_endo -83.47 147.8 12.62 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.773 2.316 . . . . 20.0 111.436 175.451 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.42 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 23.1 m170 -67.48 -16.84 64.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.131 -178.957 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -70.67 -38.7 73.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.996 -0.547 . . . . 20.0 110.88 -178.186 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 41' ' ' PRO . 0.4 OUTLIER -76.14 -23.49 54.82 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.557 -0.457 . . . . 20.0 110.153 -177.79 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.58 -45.91 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.211 -0.663 . . . . 20.0 109.211 174.006 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 38.4 mt-10 -60.04 -42.35 94.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.308 -0.86 . . . . 20.0 110.244 176.283 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -64.56 -40.8 96.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.03 -0.532 . . . . 20.0 111.563 -179.07 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -68.54 -42.69 78.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.741 -0.209 . . . . 20.0 111.466 -178.794 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 17.0 ptp -71.54 -32.99 68.77 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.492 -0.483 . . . . 20.0 110.64 178.662 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.26 -51.05 71.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.707 0.289 . . . . 20.0 111.362 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.16 -19.76 64.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.83 -178.79 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -75.97 -41.62 50.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.259 -0.428 . . . . 20.0 109.911 176.356 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.629 ' HE1' ' CE2' ' A' ' 53' ' ' PHE . 21.6 m-85 -70.54 -29.39 65.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.208 0.528 . . . . 20.0 110.222 177.052 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.09 -21.53 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.441 -0.799 . . . . 20.0 111.601 -178.107 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -66.93 -23.27 65.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.852 179.241 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 56.4 ttm -83.82 -14.12 52.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.15 0.5 . . . . 20.0 110.187 178.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.441 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 77.9 ttt180 -110.18 5.2 21.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 20.0 110.086 179.294 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -72.75 -19.73 61.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 20.0 110.87 -176.548 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 61.49 71.67 0.54 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.745 -0.661 . . . . 20.0 110.752 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -69.63 -54.59 13.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.307 -0.861 . . . . 20.0 110.787 -178.664 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 p -166.97 -49.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.132 -0.485 . . . . 20.0 110.079 179.641 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.514 ' HE3' ' HA ' ' A' ' 62' ' ' LYS . 1.3 tpmt? -158.42 78.67 0.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.275 0.56 . . . . 20.0 109.648 174.968 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.48 -0.782 . . . . 20.0 109.744 179.625 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.613 -0.514 . . . . 20.0 109.613 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -91.55 150.14 21.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.939 0.4 . . . . 20.0 110.346 -178.403 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.65 ' HE1' ' CE2' ' A' ' -5' ' ' TYR . 49.1 m-85 -95.79 143.18 27.24 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.677 -0.49 . . . . 20.0 109.677 -178.564 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 63.17 23.11 13.73 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.622 0.576 . . . . 20.0 110.71 -174.222 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -160.32 51.74 0.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.603 0.716 . . . . 20.0 109.751 -179.313 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.5 -47.55 63.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.617 -0.72 . . . . 20.0 109.798 179.584 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 1.3 t70 64.17 21.22 12.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.234 -1.348 . . . . 20.0 110.988 175.725 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -71.92 -21.14 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 20.0 110.222 -179.253 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -65.55 -34.16 77.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.684 -0.689 . . . . 20.0 110.655 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 50.17 62.78 2.49 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.031 0.443 . . . . 20.0 110.728 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.492 ' HB2' ' SD ' ' A' ' 56' ' ' MET . 0.1 OUTLIER -79.11 13.49 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 20.0 111.946 -173.018 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -30.31 70.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.059 0.457 . . . . 20.0 110.659 178.324 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.401 ' N ' HD23 ' A' ' 5' ' ' LEU . 3.0 mm? -85.26 56.48 3.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 20.0 109.76 178.708 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.1 m -68.19 118.97 64.2 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.743 . . . . 20.0 110.933 -178.945 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -73.29 118.31 5.46 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.422 2.081 . . . . 20.0 111.625 178.04 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 58.37 67.02 0.99 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.292 0.568 . . . . 20.0 110.375 -177.702 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.9 p -94.47 134.14 32.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.662 -0.699 . . . . 20.0 110.715 -178.403 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.5 t -127.6 137.43 52.57 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.647 -0.706 . . . . 20.0 109.276 178.191 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -83.37 147.16 28.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.041 0.448 . . . . 20.0 109.915 179.68 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.643 ' HD2' ' CD1' ' A' ' 12' ' ' PHE . 76.4 m-85 -84.16 6.65 21.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.404 0.621 . . . . 20.0 110.278 178.613 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -68.82 -32.66 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.128 -0.942 . . . . 20.0 110.142 173.694 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.9 p -87.74 24.37 1.75 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.932 -0.576 . . . . 20.0 111.104 -178.117 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.2 tt -66.03 -14.02 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.688 -0.687 . . . . 20.0 109.87 177.685 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HA ' ' HB3' ' A' ' 19' ' ' ASN . 74.5 mm-40 -62.6 -22.88 66.72 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.664 -0.698 . . . . 20.0 110.954 178.308 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -64.7 -33.85 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.082 0.467 . . . . 20.0 110.125 176.212 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -89.57 -31.45 17.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.749 -0.66 . . . . 20.0 109.668 178.148 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.42 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . 65.8 t30 -66.55 -20.29 65.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.48 -0.782 . . . . 20.0 110.221 178.001 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.3 m -60.28 -28.57 68.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 20.0 110.681 176.033 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -73.88 -33.7 64.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 20.0 110.216 177.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.99 -41.71 90.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.457 -178.975 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.86 -30.26 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.509 . . . . 20.0 110.435 179.274 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -69.01 -43.09 75.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.57 -0.741 . . . . 20.0 110.243 175.896 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.8 tp -74.38 -31.54 62.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.944 -0.571 . . . . 20.0 110.749 -178.34 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.571 ' HD3' ' O ' ' A' ' 32' ' ' SER . 17.9 ttm-85 -51.74 -53.79 35.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.625 -0.716 . . . . 20.0 111.628 -178.531 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -9.87 59.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.058 -0.519 . . . . 20.0 111.65 -175.169 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -90.29 -45.65 8.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.153 -0.476 . . . . 20.0 110.972 -178.791 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -81.68 -26.17 9.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.705 -175.596 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -165.34 -164.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.738 -0.21 . . . . 20.0 110.821 -177.199 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.6 m -86.35 -69.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.796 -0.446 . . . . 20.0 109.796 173.124 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.571 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 44.3 m 47.91 55.73 8.19 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.824 -0.625 . . . . 20.0 111.536 179.305 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.72 -33.93 74.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.708 -178.353 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.04 159.47 23.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.809 -0.632 . . . . 20.0 109.564 177.096 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -110.46 97.05 30.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.65 0.262 . . . . 20.0 111.103 178.723 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.4 -3.07 13.27 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.546 2.164 . . . . 20.0 111.011 173.576 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 37' ' ' ARG . 42.5 ttp180 -132.25 135.81 27.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 114.788 -1.096 . . . . 20.0 108.919 -179.689 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -59.42 109.12 0.51 Allowed 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.58 2.187 . . . . 20.0 112.078 178.415 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.81 137.1 56.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.177 -0.465 . . . . 20.0 110.24 179.469 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.5 mt 67.44 96.47 0.05 OUTLIER Pre-proline 0 C--O 1.233 0.217 0 O-C-N 123.667 0.604 . . . . 20.0 110.083 -173.928 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.78 150.17 64.21 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.295 2.664 . . . . 20.0 112.958 -176.966 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.572 ' O ' HG13 ' A' ' 45' ' ' VAL . 42.1 t-80 -73.93 -11.77 60.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.736 -0.665 . . . . 20.0 110.784 -176.759 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -80.6 -8.77 59.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.877 0.37 . . . . 20.0 110.839 177.178 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.65 -29.03 56.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.406 -0.361 . . . . 20.0 110.854 -178.416 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 42' ' ' HIS . 14.0 p -68.9 -25.93 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.923 0.392 . . . . 20.0 109.983 176.871 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.83 -48.69 68.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.077 0.465 . . . . 20.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -72.76 -34.95 67.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.696 -179.218 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -74.76 -34.83 62.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.877 -177.667 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 46.3 ttm -63.82 -32.79 74.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 20.0 110.508 -179.559 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -33.46 75.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.232 0.539 . . . . 20.0 110.644 178.192 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.466 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 41.6 mt-10 -72.56 -29.63 63.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.594 -0.73 . . . . 20.0 110.282 178.264 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -63.59 -41.37 98.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 20.0 109.845 177.276 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.629 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 58.1 m-85 -69.26 -32.71 72.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.724 -0.671 . . . . 20.0 110.703 176.796 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.7 -14.52 61.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 20.0 111.205 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 68.6 mttm -68.0 -25.48 65.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.992 0.425 . . . . 20.0 110.283 175.384 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.492 ' SD ' ' HB2' ' A' ' 3' ' ' ARG . 31.6 mmt -77.91 -1.03 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.651 -178.971 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -79.73 -23.5 42.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.267 179.001 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -111.53 158.33 19.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.097 0.475 . . . . 20.0 111.58 -174.242 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.94 155.08 30.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.483 -0.932 . . . . 20.0 108.483 177.42 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -75.74 1.32 15.07 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.878 0.325 . . . . 20.0 111.878 -174.096 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.3 m -85.49 7.91 21.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.71 0.29 . . . . 20.0 110.746 177.075 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp 63.08 26.67 15.5 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.83 -0.623 . . . . 20.0 111.344 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.403 -0.808 . . . . 20.0 109.966 -178.508 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 49.9 tpp . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 121.198 0.523 . . . . 20.0 109.83 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -107.17 -6.53 17.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.974 -177.402 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 59.59 -162.68 0.24 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.467 -0.788 . . . . 20.0 111.606 178.994 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 57.5 tptt 59.35 68.57 0.79 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.752 0.787 . . . . 20.0 109.91 -178.468 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -157.56 3.83 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.203 -0.908 . . . . 20.0 110.747 -178.878 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -92.17 -44.76 8.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.248 -178.921 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.83 -17.95 63.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.756 0.313 . . . . 20.0 110.331 179.342 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -74.08 -21.03 60.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 20.0 110.924 176.431 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -71.26 -18.21 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.064 0.459 . . . . 20.0 109.918 177.516 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -113.69 60.78 0.66 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.738 . . . . 20.0 109.507 -179.661 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.461 ' HG2' ' O ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -61.13 117.1 5.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 20.0 110.514 -177.704 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.57 26.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.881 -0.6 . . . . 20.0 110.389 -179.182 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 mp -92.87 -11.72 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.122 -0.49 . . . . 20.0 110.329 -179.358 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 m -114.6 137.99 22.97 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.576 -178.465 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.1 59.85 6.69 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.478 2.119 . . . . 20.0 111.345 176.876 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.1 ptm -76.74 4.36 9.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.652 -0.703 . . . . 20.0 111.738 -173.303 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 p -112.27 0.67 9.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.593 0.711 . . . . 20.0 109.767 174.251 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.2 m -151.95 50.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.555 -0.748 . . . . 20.0 110.166 -178.51 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.46 93.4 7.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.966 -0.561 . . . . 20.0 109.966 -179.354 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -126.49 45.82 2.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.266 0.555 . . . . 20.0 110.115 -179.241 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -74.14 -30.51 62.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.538 -0.755 . . . . 20.0 110.443 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.8 p -81.03 77.58 7.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.39 0.614 . . . . 20.0 110.574 -179.897 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.8 mm -77.43 85.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 20.0 110.385 -178.891 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.468 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -90.89 -29.57 17.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.802 -0.635 . . . . 20.0 112.204 -177.689 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.36 -19.88 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.969 0.414 . . . . 20.0 111.26 -179.022 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.72 -24.76 33.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.588 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.468 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 9.6 m120 -61.57 -24.66 66.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.404 -0.362 . . . . 20.0 111.693 -171.982 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.5 p -72.21 -47.29 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.147 0.499 . . . . 20.0 110.844 178.838 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.642 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 51.1 t80 -80.57 -34.82 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.843 -0.617 . . . . 20.0 110.734 -179.522 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -56.88 -37.73 71.77 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.919 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -64.02 -46.11 85.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 20.0 110.616 179.499 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -71.58 -35.6 70.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.477 -178.377 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 49.6 tp -71.88 -33.38 68.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.022 -0.536 . . . . 20.0 110.137 178.312 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -57.93 -27.62 63.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.595 -0.729 . . . . 20.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.98 -37.95 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.931 0.396 . . . . 20.0 110.983 178.835 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -90.22 -30.04 17.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 20.0 110.685 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 84.6 t -73.58 -41.74 55.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 20.0 111.116 -178.81 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.18 64.6 7.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.033 -0.53 . . . . 20.0 110.874 -178.596 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 m -79.78 67.82 5.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.078 -0.712 . . . . 20.0 109.078 174.313 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.3 m -65.96 99.84 0.53 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.408 -0.815 . . . . 20.0 110.87 -176.435 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -97.39 110.19 22.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.525 -0.546 . . . . 20.0 109.525 177.081 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.54 139.68 48.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.772 0.32 . . . . 20.0 110.686 -177.206 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.01 74.73 71.78 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.546 -0.539 . . . . 20.0 109.546 176.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -86.9 51.83 2.48 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.929 2.419 . . . . 20.0 112.055 -177.302 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 69.77 114.97 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.307 -0.86 . . . . 20.0 110.627 -179.561 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.82 63.41 3.95 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.528 2.152 . . . . 20.0 112.101 178.57 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -143.04 10.26 1.73 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.605 -0.725 . . . . 20.0 110.462 178.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.9 mt -85.75 127.96 60.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.521 -0.763 . . . . 20.0 110.743 -176.511 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -56.4 141.43 89.5 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.752 2.301 . . . . 20.0 111.291 174.557 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -70.63 -24.33 62.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.203 -174.601 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -73.27 -34.81 66.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.292 0.568 . . . . 20.0 109.632 173.845 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.9 -36.85 80.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.297 -0.865 . . . . 20.0 110.333 -179.081 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.36 -44.34 92.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.874 -0.603 . . . . 20.0 110.505 177.891 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -61.39 -37.13 82.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.028 0.442 . . . . 20.0 110.286 178.424 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -65.64 -47.25 76.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.037 -179.84 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.59 -19.95 60.74 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.743 -0.383 . . . . 20.0 111.028 -179.07 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.34 -38.99 82.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.046 0.451 . . . . 20.0 109.964 171.765 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.8 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.255 176.357 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.609 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 43.9 mt-10 -63.51 -41.98 98.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.414 -0.812 . . . . 20.0 110.176 176.862 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -57.17 -45.14 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.906 177.766 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.659 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 38.9 t80 -64.55 -38.0 89.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.201 0.524 . . . . 20.0 110.101 179.994 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.16 88.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.79 -0.641 . . . . 20.0 111.183 179.701 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 96.3 mttt -60.64 -32.17 71.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.48 . . . . 20.0 110.998 179.398 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.8 ttp -62.86 -38.55 91.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.526 . . . . 20.0 111.058 -177.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.1 10.17 38.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 20.0 110.858 -179.566 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? 65.57 93.47 0.07 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.257 -0.883 . . . . 20.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -118.43 152.07 36.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.651 -0.704 . . . . 20.0 109.895 -178.616 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -88.7 134.36 33.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.989 -0.374 . . . . 20.0 109.989 178.774 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -77.75 144.74 36.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.436 -179.064 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.3 tttm 65.98 26.69 10.88 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.892 0.853 . . . . 20.0 109.912 -178.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.177 -0.916 . . . . 20.0 109.667 -179.192 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.956 0.408 . . . . 20.0 110.538 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.78 78.88 1.86 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.984 0.421 . . . . 20.0 110.042 -179.109 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.635 ' HD1' ' CD2' ' A' ' -5' ' ' TYR . 26.5 p90 -113.66 2.8 15.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.862 -178.641 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.475 ' O ' ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 46.67 18.52 0.07 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.919 1.287 . . . . 20.0 113.824 179.908 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' -2' ' ' ASP . 5.9 t70 53.37 -170.95 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.472 0.709 . . . . 20.0 111.628 178.922 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.437 ' H ' ' CG ' ' A' ' -3' ' ' ASP . 14.0 m-20 -132.52 -46.19 0.89 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.436 -0.347 . . . . 20.0 111.108 179.288 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -90.0 -34.03 16.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.449 -0.341 . . . . 20.0 110.692 -178.083 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.05 -20.74 60.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.319 0.58 . . . . 20.0 110.388 176.674 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' A' ' -4' ' ' LYS . 36.1 tptt -92.86 0.11 57.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.69 -0.686 . . . . 20.0 109.182 176.246 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 t30 67.45 -67.05 0.19 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.352 -0.84 . . . . 20.0 110.291 -175.11 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -171.8 -65.23 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.673 -0.862 . . . . 20.0 108.673 174.924 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.17 70.05 1.29 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.526 -0.761 . . . . 20.0 109.888 178.381 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 22.3 tp -91.5 19.13 6.47 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.177 -0.465 . . . . 20.0 110.649 -175.711 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 47.6 t 72.85 142.65 0.09 OUTLIER Pre-proline 0 C--O 1.236 0.353 0 CA-C-N 115.627 -0.715 . . . . 20.0 111.633 175.037 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.21 51.81 2.96 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.925 2.417 . . . . 20.0 111.239 173.555 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.469 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 19.9 ttt -152.22 175.62 12.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.939 -1.134 . . . . 20.0 107.939 -177.166 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 8' ' ' MET . 90.4 t 74.29 132.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 121.086 0.47 . . . . 20.0 110.258 -177.224 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -62.82 124.84 22.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.544 . . . . 20.0 111.414 -176.821 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.93 136.89 32.77 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.477 -0.564 . . . . 20.0 109.477 173.767 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -115.28 163.55 15.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.447 -0.342 . . . . 20.0 110.845 -173.874 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -61.48 -38.51 87.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.081 0.467 . . . . 20.0 110.101 178.439 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.6 p -131.17 83.31 2.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.922 -0.581 . . . . 20.0 110.158 174.237 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.7 mt -64.14 -42.07 94.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.971 -0.559 . . . . 20.0 110.679 -179.463 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -56.61 -40.01 74.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.723 -0.671 . . . . 20.0 110.2 179.146 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -55.77 -43.17 76.47 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.142 -0.481 . . . . 20.0 110.287 178.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -70.12 -38.64 75.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.921 -0.581 . . . . 20.0 110.061 179.411 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.99 -30.31 71.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.302 -0.408 . . . . 20.0 111.007 179.246 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 t -77.09 -52.04 10.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.389 -0.369 . . . . 20.0 111.253 -178.688 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -92.97 -49.17 6.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.333 0.494 . . . . 20.0 112.333 -173.279 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -74.93 -12.11 60.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.064 0.394 . . . . 20.0 112.064 -169.414 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.3 -36.55 73.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.059 0.457 . . . . 20.0 110.454 179.266 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -87.16 -27.45 23.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.142 0.496 . . . . 20.0 110.827 178.788 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.8 tp -71.19 -30.3 66.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.818 -0.628 . . . . 20.0 110.461 178.919 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -54.91 -30.7 58.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.712 -0.676 . . . . 20.0 111.43 -176.5 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.97 -39.79 25.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 20.0 111.077 179.387 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' ' 31' ' ' THR . 57.8 tttp -79.88 -29.02 39.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.179 -0.464 . . . . 20.0 111.025 -174.725 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -78.07 -15.18 14.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.113 0.482 . . . . 20.0 110.408 179.474 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.37 -12.45 21.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 20.0 111.572 -176.66 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.508 HG23 ' O ' ' A' ' 28' ' ' LYS . 14.7 t -84.73 55.92 3.65 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.311 1.053 . . . . 20.0 110.979 -177.326 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -149.91 146.9 27.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.364 -0.835 . . . . 20.0 109.322 178.241 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.4 tp 60.49 93.77 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.465 0.478 . . . . 20.0 110.067 -176.361 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.66 49.85 6.07 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.681 -0.859 . . . . 20.0 108.681 -169.653 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -63.02 120.39 60.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.487 -1.233 . . . . 20.0 112.772 -169.088 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.503 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 73.4 Cg_endo -78.21 151.67 26.84 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.477 2.118 . . . . 20.0 110.942 169.304 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -90.05 121.09 69.13 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.452 -0.34 . . . . 20.0 110.558 179.224 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.26 114.83 2.15 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.615 2.21 . . . . 20.0 111.649 177.478 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.05 139.92 57.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.94 -0.573 . . . . 20.0 111.429 -176.556 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -82.69 125.86 74.73 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.556 -0.747 . . . . 20.0 108.998 175.222 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.45 127.83 27.62 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.016 2.477 . . . . 20.0 112.351 -176.341 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -64.4 -25.12 67.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.925 -0.58 . . . . 20.0 110.665 -176.49 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.565 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 32.6 t70 -65.62 -40.26 92.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.515 -0.311 . . . . 20.0 110.343 177.235 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.2 -39.83 95.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.972 0.415 . . . . 20.0 109.979 177.37 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.77 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.6 -0.727 . . . . 20.0 110.451 177.858 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.3 -36.6 81.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.164 -0.471 . . . . 20.0 110.351 177.458 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 49.7 mtm-85 -69.07 -28.35 66.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.124 0.487 . . . . 20.0 109.744 176.137 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -75.47 -36.4 60.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.614 -0.721 . . . . 20.0 109.991 179.108 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.06 -34.59 75.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.131 176.524 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.41 -29.72 64.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.824 -0.625 . . . . 20.0 110.878 176.523 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.43 -22.22 65.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.597 -0.729 . . . . 20.0 110.664 -179.261 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.505 ' O ' ' HG2' ' A' ' 56' ' ' MET . 10.6 mpt_? -76.02 -47.69 23.87 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.721 -0.474 . . . . 20.0 109.721 174.959 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.598 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 97.2 m-85 -62.48 -34.27 76.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 20.0 110.794 179.575 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.49 77.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.946 -0.57 . . . . 20.0 111.081 177.428 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -82.01 -26.14 34.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.104 -0.498 . . . . 20.0 110.409 178.958 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.505 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 30.6 mmt -70.06 -27.8 64.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.079 176.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -67.16 -14.99 63.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.722 -0.672 . . . . 20.0 110.759 179.333 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.3 16.7 1.52 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.326 -0.397 . . . . 20.0 111.187 -179.366 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 62.14 43.05 9.02 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.431 0.634 . . . . 20.0 109.911 -177.782 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -82.05 86.26 6.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.171 -0.922 . . . . 20.0 110.521 -177.146 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 33.1 m -81.46 85.29 6.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.179 -0.464 . . . . 20.0 109.853 176.879 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.2 mppt? 71.56 -55.57 0.65 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.68 0.792 . . . . 20.0 111.109 -175.204 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.692 -0.671 . . . . 20.0 109.949 178.992 . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.729 0.299 . . . . 20.0 110.265 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -89.97 151.22 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.983 -0.553 . . . . 20.0 110.011 178.465 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.658 ' HD1' ' CD2' ' A' ' -5' ' ' TYR . 54.3 m-85 -90.15 -177.86 5.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.153 -0.476 . . . . 20.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' -5' ' ' TYR . 14.2 mmmm 71.57 53.58 0.22 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.606 0.717 . . . . 20.0 109.172 -172.679 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -153.76 -37.62 0.1 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.599 -1.182 . . . . 20.0 109.481 -178.591 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -70.08 -28.77 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.561 -0.745 . . . . 20.0 110.515 178.855 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.87 77.76 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.622 0.725 . . . . 20.0 110.738 177.439 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.37 -43.77 89.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.595 -0.73 . . . . 20.0 110.856 -179.702 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.426 ' HB3' ' HB1' ' A' ' 4' ' ' ALA . 12.8 mptt -83.25 0.98 43.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.881 -0.6 . . . . 20.0 111.047 -177.441 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 67.21 72.8 0.35 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.49 -0.777 . . . . 20.0 111.067 177.058 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 64.06 31.49 13.48 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.669 -0.696 . . . . 20.0 111.737 176.605 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 1' ' ' LYS . . . -119.26 80.62 1.59 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.517 -0.549 . . . . 20.0 109.517 176.29 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.8 mt -52.41 101.76 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.406 -0.816 . . . . 20.0 111.844 -174.371 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m -130.48 75.36 79.14 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 20.0 109.316 176.91 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -72.5 108.85 2.62 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.989 2.459 . . . . 20.0 112.833 -173.489 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.8 mmt -112.02 138.71 48.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.867 -0.606 . . . . 20.0 109.426 173.209 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.9 t 53.31 53.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 122.012 0.911 . . . . 20.0 109.25 -174.049 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.8 m -151.27 32.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.815 -1.084 . . . . 20.0 109.886 179.646 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 57.81 61.28 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.069 -0.969 . . . . 20.0 110.73 -178.019 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.64 ' HD2' ' CD1' ' A' ' 12' ' ' PHE . 27.3 p90 -84.77 46.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.637 0.732 . . . . 20.0 111.339 -176.2 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -115.18 -38.22 3.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.347 -0.842 . . . . 20.0 108.878 174.443 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.9 p -112.71 61.62 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.27 -0.877 . . . . 20.0 109.805 176.615 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.556 HD13 ' H ' ' A' ' 15' ' ' ILE . 4.6 mp -62.7 -42.74 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.683 -0.69 . . . . 20.0 110.726 -173.352 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -39.65 95.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 20.0 110.485 -178.134 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.08 -39.54 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.902 -0.59 . . . . 20.0 110.768 -178.771 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -75.8 -37.73 58.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.486 -179.554 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -69.14 -48.18 63.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 20.0 110.873 -176.959 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.5 m -64.18 -34.56 78.36 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.75 0.31 . . . . 20.0 110.943 -179.116 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -70.78 -44.29 66.95 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.914 -0.402 . . . . 20.0 109.914 177.738 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.46 -39.72 94.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.969 -0.56 . . . . 20.0 110.741 178.986 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -55.97 -37.43 69.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.521 -0.763 . . . . 20.0 111.036 -179.431 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -90.34 -39.66 12.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.776 179.917 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 tp -62.18 -25.42 67.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.773 -174.759 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 26' ' ' ARG . 22.9 ptt85 -58.6 -24.64 61.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.839 0.352 . . . . 20.0 110.844 179.532 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.06 63.64 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.178 177.093 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -66.24 -39.25 89.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.222 -0.445 . . . . 20.0 110.422 -179.778 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.27 -44.27 95.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 20.0 111.485 178.508 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.36 -79.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.444 -0.343 . . . . 20.0 111.637 -176.357 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 49.2 m -151.63 118.62 5.85 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.249 -0.278 . . . . 20.0 110.249 179.848 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 m -88.05 39.69 0.91 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.26 0.552 . . . . 20.0 110.811 -177.214 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.3 tp -160.67 137.8 9.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.722 -0.672 . . . . 20.0 109.635 -178.512 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.07 95.84 4.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.784 0.326 . . . . 20.0 110.169 177.077 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -69.53 136.86 88.32 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.927 -0.578 . . . . 20.0 110.861 -176.913 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.81 92.36 1.11 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.946 2.43 . . . . 20.0 112.937 -177.781 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 62.89 91.53 0.08 OUTLIER Pre-proline 0 C--O 1.235 0.311 0 CA-C-N 115.626 -0.716 . . . . 20.0 111.97 175.073 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -50.5 138.07 39.68 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.225 1.95 . . . . 20.0 110.815 170.071 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.99 110.9 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.356 0.598 . . . . 20.0 112.208 -174.242 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mt -88.7 126.0 61.17 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.082 -0.963 . . . . 20.0 110.121 -178.887 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.464 ' O ' HG21 ' A' ' 45' ' ' VAL . 50.6 Cg_exo -51.59 133.97 45.31 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.48 2.12 . . . . 20.0 110.987 174.548 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -63.17 -23.92 67.65 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.644 0.609 . . . . 20.0 112.644 -170.655 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -77.96 -32.2 51.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.408 0.623 . . . . 20.0 109.921 176.162 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.58 -23.97 36.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.439 -0.801 . . . . 20.0 110.377 -178.873 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.464 HG21 ' O ' ' A' ' 41' ' ' PRO . 72.1 t -55.86 -36.58 44.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.771 176.146 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.2 -33.64 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.157 0.503 . . . . 20.0 110.64 179.069 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.555 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 3.3 mmp_? -84.47 -40.83 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.889 178.405 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -74.2 -20.59 60.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.097 -176.295 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 54.0 tpp -63.33 -28.94 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.7 179.565 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.2 -25.53 67.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.299 0.571 . . . . 20.0 110.677 176.888 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -92.17 -34.42 14.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.68 . . . . 20.0 111.093 175.878 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.488 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 5.7 mmp_? -82.31 -17.91 44.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.796 0.665 . . . . 20.0 112.796 -172.528 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.652 ' HE1' ' CE2' ' A' ' 53' ' ' PHE . 1.9 p90 -63.21 -17.65 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.246 0.546 . . . . 20.0 110.592 -179.485 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.405 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -67.7 -9.96 48.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.455 -0.793 . . . . 20.0 111.609 179.709 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -79.17 -24.76 43.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.761 0.315 . . . . 20.0 110.505 176.685 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.522 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 27.1 ttt -68.87 -22.49 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 20.0 111.7 -172.566 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 15.6 ptm180 -75.87 -17.32 59.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 20.0 110.421 176.877 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -96.78 -52.83 3.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.858 -0.61 . . . . 20.0 109.52 177.784 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.522 ' O ' ' HA ' ' A' ' 56' ' ' MET . 75.0 mm-40 -131.55 135.83 47.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.503 -0.771 . . . . 20.0 109.913 -179.772 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -99.24 13.62 32.42 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.373 0.606 . . . . 20.0 110.021 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 p -80.72 63.27 5.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.639 -0.709 . . . . 20.0 111.2 -178.826 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -87.68 -5.41 58.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.462 0.649 . . . . 20.0 109.673 177.396 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.333 -0.842 . . . . 20.0 110.082 178.487 . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.692 0.282 . . . . 20.0 110.819 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . 0.463 ' HB2' ' HA ' ' A' ' -2' ' ' ASP . 4.6 m-20 -135.37 159.0 42.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.858 0.361 . . . . 20.0 110.54 -179.517 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -80.14 -19.22 47.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.119 -179.606 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -150.64 140.98 22.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.334 -0.848 . . . . 20.0 108.836 175.357 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 59.22 58.27 3.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.244 0.545 . . . . 20.0 109.761 -176.747 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.463 ' HA ' ' HB2' ' A' ' -6' ' ' ASP . 32.5 t70 -61.1 -45.73 93.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.154 -0.93 . . . . 20.0 112.336 -173.323 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -77.8 139.92 39.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.817 -177.17 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -85.12 -8.25 58.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.148 -0.478 . . . . 20.0 110.853 -178.148 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -66.39 -14.3 61.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.952 -0.567 . . . . 20.0 111.211 -179.776 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 t30 53.08 81.15 0.09 Allowed 'General case' 0 C--O 1.237 0.443 0 O-C-N 123.607 0.567 . . . . 20.0 111.738 171.857 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -87.47 89.34 7.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.834 -0.621 . . . . 20.0 109.669 177.13 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.92 61.5 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.899 -178.072 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.03 131.91 44.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.766 -0.652 . . . . 20.0 109.886 178.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -116.73 86.27 18.7 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.191 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.19 -18.34 14.35 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.178 1.919 . . . . 20.0 111.727 179.217 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -74.58 -2.36 25.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.196 -178.069 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.8 -28.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.423 0.63 . . . . 20.0 109.788 174.672 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -154.87 71.63 0.81 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.391 -0.822 . . . . 20.0 109.169 176.2 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -73.22 125.39 27.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.617 -0.72 . . . . 20.0 111.466 -174.847 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -133.06 62.64 1.65 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.737 -0.665 . . . . 20.0 109.332 173.956 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -112.16 148.95 32.94 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.418 -0.81 . . . . 20.0 110.245 -177.959 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 t -76.4 113.03 13.54 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.304 0.573 . . . . 20.0 110.085 176.476 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.571 ' HA ' ' HB2' ' A' ' 19' ' ' ASN . 33.9 pt -103.16 34.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.5 0.667 . . . . 20.0 110.324 179.363 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -90.52 -52.9 4.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.133 -0.94 . . . . 20.0 113.048 -170.657 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -92.5 -73.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.783 0.661 . . . . 20.0 112.783 -175.203 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -91.69 -38.53 12.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.38 0.61 . . . . 20.0 110.958 -174.139 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.571 ' HB2' ' HA ' ' A' ' 15' ' ' ILE . 29.7 m-20 -65.02 -14.93 61.65 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.286 -0.87 . . . . 20.0 111.959 -174.532 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -57.99 -38.63 76.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 20.0 111.184 178.99 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.639 ' HD2' ' CD1' ' A' ' 21' ' ' TYR . 45.0 t80 -88.66 -29.1 20.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.575 -0.528 . . . . 20.0 109.575 179.213 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 19' ' ' ASN . 28.0 t-20 -62.98 -24.99 68.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.532 178.102 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 39.6 mt-10 -50.77 -43.91 58.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.49 -0.323 . . . . 20.0 111.528 177.988 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -74.48 -38.74 62.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.512 -0.313 . . . . 20.0 110.995 -179.011 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.04 -42.57 89.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.657 -0.498 . . . . 20.0 109.657 179.811 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -62.32 -45.79 91.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.451 -0.795 . . . . 20.0 110.678 -178.831 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.6 -24.64 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.092 0.472 . . . . 20.0 111.252 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -79.89 -48.32 13.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.849 -0.614 . . . . 20.0 110.631 -179.28 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.91 -49.54 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 20.0 110.761 179.923 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.42 84.46 7.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.203 0.525 . . . . 20.0 110.34 -179.548 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.0 m -81.62 97.83 8.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.455 -179.13 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.5 t -85.0 145.58 27.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 20.0 110.508 -178.216 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -124.21 31.73 5.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.914 -0.585 . . . . 20.0 110.196 179.105 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 64.43 85.05 0.14 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.033 -0.985 . . . . 20.0 110.835 -179.073 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.46 114.98 14.85 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.371 -0.831 . . . . 20.0 110.551 -178.5 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.19 -7.95 9.94 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.957 2.438 . . . . 20.0 113.901 -173.301 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 29.7 ptt180 -83.46 133.07 47.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 120.77 -0.372 . . . . 20.0 110.494 -177.302 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 37' ' ' ARG . 26.0 Cg_exo -63.47 118.66 5.58 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.563 2.175 . . . . 20.0 111.833 176.21 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.7 140.37 29.72 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.049 -0.523 . . . . 20.0 110.323 178.226 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.0 mt -93.42 119.27 67.49 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.701 -0.481 . . . . 20.0 109.701 177.254 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.18 119.85 5.97 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.991 2.461 . . . . 20.0 112.236 178.741 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.513 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 8.4 p-80 -73.21 -16.47 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.931 -0.308 . . . . 20.0 110.313 179.718 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.465 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 11.0 m-20 -59.33 -40.3 85.91 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 109.646 -0.501 . . . . 20.0 109.646 174.39 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 14.6 tp10 -52.56 -45.73 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.334 175.776 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.02 -46.48 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.52 -0.763 . . . . 20.0 111.229 -178.91 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 38.8 mt-10 -61.35 -40.15 93.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 20.0 111.535 -177.165 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HD3' ' O ' ' A' ' 43' ' ' ASP . 3.4 mpt_? -68.39 -21.44 64.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 20.0 110.942 178.551 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.491 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 92.9 mtt180 -83.3 -40.61 19.28 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.766 -0.457 . . . . 20.0 109.766 176.627 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.2 mmt -70.46 -21.0 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.756 178.571 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.7 -34.82 65.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 20.0 111.106 176.892 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.08 -26.51 62.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.751 179.617 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -84.45 -25.82 28.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.865 -0.607 . . . . 20.0 109.561 -179.25 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -65.54 -14.63 61.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.27 -0.877 . . . . 20.0 110.385 176.804 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.51 -26.66 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 20.0 110.493 175.226 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -69.51 -25.84 64.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.921 -0.581 . . . . 20.0 110.762 177.479 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 96.4 mmm -73.05 -13.98 61.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.108 0.48 . . . . 20.0 110.451 179.797 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -81.27 -20.31 41.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.152 -0.684 . . . . 20.0 109.152 175.111 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -85.74 -45.21 11.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.433 -0.803 . . . . 20.0 109.082 171.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -76.78 80.43 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.712 -0.676 . . . . 20.0 109.658 175.202 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -72.34 -7.52 50.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.956 -0.565 . . . . 20.0 111.199 -177.183 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -121.84 152.85 39.1 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.263 -1.014 . . . . 20.0 108.263 172.977 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -99.54 4.77 46.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.279 0.561 . . . . 20.0 110.156 -176.57 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.403 -0.808 . . . . 20.0 109.608 177.406 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.173 0.511 . . . . 20.0 110.21 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -140.6 79.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.615 ' HD1' ' CD2' ' A' ' -5' ' ' TYR . 88.0 t80 -122.61 135.88 54.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.087 177.967 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -130.62 165.19 23.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.078 -0.51 . . . . 20.0 110.035 178.949 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.0 t70 59.93 80.76 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.475 0.655 . . . . 20.0 111.179 -177.645 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.01 -69.18 0.67 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.868 -0.606 . . . . 20.0 109.713 177.129 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.35 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 20.0 110.782 174.767 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . 0.435 ' HA ' ' HB3' ' A' ' 3' ' ' ARG . 2.3 m-20 -69.31 -21.08 63.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.213 -0.449 . . . . 20.0 111.998 -175.488 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -65.83 -20.17 66.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.267 -0.424 . . . . 20.0 111.388 -178.991 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -109.59 -32.39 7.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.97 0.414 . . . . 20.0 109.986 171.003 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.435 ' HB3' ' HA ' ' A' ' 0' ' ' ASP . 29.0 tpt180 -80.02 64.82 4.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.783 0.801 . . . . 20.0 109.823 175.635 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.31 33.88 2.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.445 -0.798 . . . . 20.0 109.873 177.559 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.29 121.84 43.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.407 -0.815 . . . . 20.0 110.383 -177.306 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -124.78 95.79 41.81 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.345 -0.613 . . . . 20.0 109.345 177.461 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -66.89 89.73 0.3 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.893 2.395 . . . . 20.0 112.266 -178.687 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.1 ptm -90.87 148.68 22.33 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.674 -0.491 . . . . 20.0 109.674 177.002 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 m -117.99 135.27 58.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.026 0.441 . . . . 20.0 110.555 179.859 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 m -133.52 130.65 38.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.45 -0.574 . . . . 20.0 109.45 178.01 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 57.65 60.15 2.94 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.67 0.606 . . . . 20.0 109.633 -176.082 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -72.98 79.29 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.227 -0.897 . . . . 20.0 110.222 -179.172 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -132.15 -55.57 0.98 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.18 -0.464 . . . . 20.0 110.999 -178.953 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 p -91.86 35.87 0.97 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.189 0.519 . . . . 20.0 111.314 -179.702 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG23 ' H ' ' A' ' 17' ' ' GLN . 1.9 mp -104.06 128.53 57.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.088 -0.505 . . . . 20.0 110.21 -176.665 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.412 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 43.5 mt-10 -66.09 -12.62 56.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.57 -0.741 . . . . 20.0 112.094 -173.479 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.503 ' H ' HG23 ' A' ' 15' ' ' ILE . 27.3 tt0 -65.15 -21.4 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.92 0.391 . . . . 20.0 110.812 178.721 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -81.73 -28.05 33.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.365 0.602 . . . . 20.0 109.654 175.915 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.412 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 17.0 m120 -73.11 -14.96 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.298 -0.865 . . . . 20.0 110.117 178.583 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -63.33 -19.96 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.48 176.046 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.46 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 45.4 t80 -65.24 -50.91 64.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.545 -0.298 . . . . 20.0 110.58 177.858 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.453 ' HA ' HD13 ' A' ' 25' ' ' LEU . 2.8 p-10 -71.76 -22.48 61.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.036 0.446 . . . . 20.0 110.09 178.91 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -61.66 -39.78 92.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.649 . . . . 20.0 109.978 173.025 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -75.88 -29.52 58.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.336 . . . . 20.0 111.007 176.47 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 21' ' ' TYR . 96.5 mt -67.22 -43.53 81.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.53 -0.305 . . . . 20.0 111.015 -178.972 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.446 ' HD2' ' C ' ' A' ' 26' ' ' ARG . 4.5 ppt_? -66.97 -20.82 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.226 0.536 . . . . 20.0 110.35 178.26 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.22 -21.6 46.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.842 -0.617 . . . . 20.0 110.878 177.78 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -73.71 -46.82 43.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.268 179.44 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.8 p -69.05 -40.35 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.041 176.915 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 47.6 55.37 8.47 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 113.018 0.747 . . . . 20.0 113.018 172.437 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.2 p -87.19 -82.41 0.21 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.881 0.372 . . . . 20.0 110.03 174.924 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 m -129.61 12.81 5.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.655 0.741 . . . . 20.0 109.247 173.51 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.8 mt -87.73 88.09 7.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.941 -1.027 . . . . 20.0 110.702 -177.568 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.0 65.59 0.78 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.534 -0.757 . . . . 20.0 109.284 175.53 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -85.15 118.68 71.33 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.673 -0.694 . . . . 20.0 110.834 -175.294 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -70.44 88.76 0.61 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.482 2.121 . . . . 20.0 111.106 174.357 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.606 ' N ' ' HD2' ' A' ' 38' ' ' PRO . 15.0 ptm180 -62.85 -36.26 24.44 Favored Pre-proline 0 CA--C 1.543 0.673 0 N-CA-C 113.538 0.94 . . . . 20.0 113.538 -177.093 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 37' ' ' ARG . 17.8 Cg_endo -58.9 128.65 28.72 Favored 'Trans proline' 0 C--N 1.365 1.423 0 CA-C-N 120.773 1.312 . . . . 20.0 111.967 179.07 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.4 94.35 2.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.323 -0.399 . . . . 20.0 109.978 177.29 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 pt -136.39 118.36 11.69 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.931 -0.577 . . . . 20.0 111.209 -177.465 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.467 ' O ' HG21 ' A' ' 45' ' ' VAL . 39.7 Cg_exo -60.35 128.87 27.57 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.63 2.22 . . . . 20.0 111.204 177.361 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -60.19 -26.21 66.17 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.897 0.332 . . . . 20.0 111.897 -174.068 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -80.84 -21.27 40.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 20.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -89.27 -33.74 16.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.093 178.221 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 41' ' ' PRO . 86.2 t -58.73 -40.32 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 20.0 110.155 175.688 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.82 -23.5 63.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.388 -0.824 . . . . 20.0 110.937 179.357 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -83.98 -69.03 0.67 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.364 -0.38 . . . . 20.0 111.404 -178.047 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -90.67 -39.09 12.66 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.668 0.618 . . . . 20.0 112.668 -171.353 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 82.9 mtp -89.6 -16.31 30.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.906 0.706 . . . . 20.0 112.906 -171.914 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.56 -58.77 1.22 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.666 0.987 . . . . 20.0 113.666 -173.422 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.546 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 33.9 mt-10 -72.58 -32.5 66.05 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.664 -0.414 . . . . 20.0 111.164 -175.945 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -62.25 -40.88 97.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.264 0.554 . . . . 20.0 109.759 175.796 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.593 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 79.6 t80 -69.5 -37.26 77.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.387 -0.824 . . . . 20.0 110.091 178.321 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.37 97.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.955 -0.566 . . . . 20.0 110.941 177.761 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 99.5 mttt -62.98 -36.0 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.689 -179.348 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.413 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 21.7 ptp -85.53 -19.69 30.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.749 0.309 . . . . 20.0 110.82 -178.67 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -83.32 -42.82 16.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.09 178.973 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -78.39 63.39 3.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.802 -0.635 . . . . 20.0 110.145 177.593 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -103.92 3.88 34.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.824 -179.433 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -91.45 54.99 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.007 -0.542 . . . . 20.0 109.545 178.644 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 m -67.07 89.43 0.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.32 -0.854 . . . . 20.0 111.496 -176.374 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -88.27 71.43 9.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.407 0.622 . . . . 20.0 110.897 179.124 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.116 -0.945 . . . . 20.0 110.273 178.009 . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.138 -0.319 . . . . 20.0 110.138 . . . . . . . . . 0 0 . 1 . 044 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -131.43 171.66 13.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.017 -0.538 . . . . 20.0 111.086 -174.355 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.67 ' HD2' ' CD1' ' A' ' -5' ' ' TYR . 8.2 m-85 65.62 159.32 0.11 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.921 0.763 . . . . 20.0 112.26 -179.026 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.523 ' HZ2' ' HB3' ' A' ' -4' ' ' LYS . 0.4 OUTLIER -105.32 -22.17 13.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.512 -0.767 . . . . 20.0 110.774 -177.797 . . . . . . . . 3 3 . 1 . 044 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 49.88 77.15 0.12 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.625 0.578 . . . . 20.0 111.182 177.024 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.48 -60.41 3.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.334 -0.393 . . . . 20.0 110.5 179.098 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.5 t70 59.21 -166.22 0.18 Allowed 'General case' 0 CA--C 1.535 0.395 0 O-C-N 123.749 0.656 . . . . 20.0 110.362 178.303 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.73 -65.28 1.01 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.165 -0.334 . . . . 20.0 110.877 179.754 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -91.95 -60.97 1.73 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.291 0.567 . . . . 20.0 109.807 179.664 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -147.32 -50.97 0.19 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.284 -0.871 . . . . 20.0 109.42 179.806 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -172.98 133.35 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.49 -0.777 . . . . 20.0 110.152 175.213 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.3 -12.73 45.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 20.0 109.95 175.495 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.7 tp 46.46 74.55 0.14 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 124.203 0.94 . . . . 20.0 111.607 174.023 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m -79.01 111.53 20.7 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.792 -0.64 . . . . 20.0 110.152 177.991 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.4 120.25 6.41 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.29 1.993 . . . . 20.0 112.379 -176.755 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.3 ttp -124.03 76.76 1.48 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.083 -0.71 . . . . 20.0 109.083 175.669 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.5 p -120.58 127.72 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.612 -0.722 . . . . 20.0 110.548 -175.849 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.3 p -90.42 152.91 20.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.566 -178.983 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -77.02 43.55 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.158 0.504 . . . . 20.0 111.219 -179.757 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.657 ' HD1' ' CD2' ' A' ' 12' ' ' PHE . 12.3 t80 -91.9 -8.95 44.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.921 -0.581 . . . . 20.0 109.723 -179.172 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -57.23 -38.22 73.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.32 -0.854 . . . . 20.0 111.308 -179.455 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 5.1 p -61.68 -54.37 43.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 20.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.59 -42.87 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 20.0 110.742 179.093 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.23 -33.38 75.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.731 0.3 . . . . 20.0 111.19 178.913 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.79 -35.99 75.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 20.0 110.161 178.943 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.484 ' HG2' ' O ' ' A' ' 14' ' ' THR . 7.8 mm-40 -80.58 -38.27 29.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.958 -0.565 . . . . 20.0 110.437 -179.232 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -73.05 -14.79 61.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 20.0 110.339 -179.911 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 t -59.96 -17.5 38.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.459 -0.791 . . . . 20.0 111.583 -178.539 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.404 ' HD1' ' O ' ' A' ' 18' ' ' GLU . 16.0 p90 -55.48 -27.34 47.78 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.522 0.201 . . . . 20.0 111.45 -177.722 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 92.1 m-20 -62.09 -28.68 69.79 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.315 -0.402 . . . . 20.0 111.349 179.804 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.483 ' CD ' HH22 ' A' ' 37' ' ' ARG . 46.8 mt-10 -64.05 -35.62 81.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.88 -177.829 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -69.31 -29.12 66.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.448 -0.342 . . . . 20.0 110.623 176.985 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.55 -34.64 72.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 20.0 109.912 175.844 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 12.3 mmp_? -73.08 -40.58 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.079 178.394 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.18 -22.09 63.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.875 -0.602 . . . . 20.0 110.899 178.715 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.13 -44.92 90.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.709 177.268 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -85.73 -15.64 10.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.121 179.09 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 46.54 62.13 2.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.639 -0.71 . . . . 20.0 112.541 171.788 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m -117.12 30.94 7.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.203 0.525 . . . . 20.0 110.098 179.086 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 m 55.85 47.23 20.62 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.403 -0.817 . . . . 20.0 111.084 179.737 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -99.88 94.75 6.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.338 -179.018 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.08 147.02 31.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.255 -0.43 . . . . 20.0 110.757 -179.579 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -101.88 107.88 53.98 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.281 178.205 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -62.09 100.7 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.951 2.434 . . . . 20.0 112.221 178.671 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.483 HH22 ' CD ' ' A' ' 23' ' ' GLU . 73.8 mtm180 -137.0 155.8 76.07 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.652 -0.703 . . . . 20.0 109.68 -176.957 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.23 51.23 1.33 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.919 2.413 . . . . 20.0 112.325 175.22 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -141.91 143.56 33.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.376 -0.829 . . . . 20.0 109.476 -179.861 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.421 HD13 ' N ' ' A' ' 40' ' ' ILE . 4.3 mp -102.82 116.1 63.15 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.668 0.27 . . . . 20.0 110.812 -177.245 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -75.53 148.13 32.88 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.523 2.149 . . . . 20.0 110.922 173.109 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -73.27 -9.36 58.63 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.668 -0.413 . . . . 20.0 110.849 -176.575 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.64 -52.45 65.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 20.0 110.823 176.134 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.33 -18.91 59.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.498 -0.319 . . . . 20.0 110.825 -177.949 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.21 -42.16 95.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.984 0.421 . . . . 20.0 110.149 176.068 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -59.4 -33.46 71.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.552 -0.749 . . . . 20.0 110.467 176.935 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.416 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 6.9 tpm_? -83.1 -32.0 26.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.842 -0.617 . . . . 20.0 110.935 -179.18 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.683 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 65.2 mtp180 -78.07 -16.97 57.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.497 -179.348 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.6 mmt -48.53 -35.26 12.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.709 -0.223 . . . . 20.0 111.452 177.567 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.68 -50.89 62.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 20.0 111.992 178.43 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.683 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 11.6 pt-20 -67.96 -30.51 69.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.071 0.462 . . . . 20.0 110.373 -178.638 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -70.6 -32.91 70.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.423 179.208 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.633 ' HD2' ' CD1' ' A' ' 53' ' ' PHE . 22.3 m-85 -72.54 -31.99 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.391 . . . . 20.0 110.228 175.628 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.23 93.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.223 174.606 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 48.3 mtpt -77.17 -19.75 56.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.975 -0.557 . . . . 20.0 110.442 176.837 . . . . . . . . 2 2 . 1 . 044 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.5 ttt -71.01 -21.49 62.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.004 177.405 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -71.19 -18.56 62.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.895 174.911 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.5 tttm 72.48 123.53 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 114.523 -1.217 . . . . 20.0 112.717 173.125 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -117.64 135.42 54.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.287 -0.869 . . . . 20.0 108.838 174.031 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -87.25 -87.55 0.14 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 20.0 110.208 -176.638 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.2 p -161.61 -10.02 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.166 -0.47 . . . . 20.0 110.915 177.29 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 60.49 87.78 0.09 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.553 -0.748 . . . . 20.0 110.712 -178.079 . . . . . . . . 1 1 . 1 . 044 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.433 -0.794 . . . . 20.0 110.495 179.178 . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.871 0.367 . . . . 20.0 111.165 . . . . . . . . . 0 0 . 1 . 045 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -83.36 93.88 7.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.679 -175.721 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -148.17 76.84 1.39 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.366 0.603 . . . . 20.0 110.891 -179.354 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -123.85 22.75 8.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.707 -0.849 . . . . 20.0 108.707 171.792 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.33 -20.66 56.38 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 114.543 -1.208 . . . . 20.0 112.476 -174.464 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 0' ' ' ASP . 15.0 m-20 -61.66 -25.6 67.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.771 -0.195 . . . . 20.0 110.996 177.81 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 3.9 p30 54.83 -62.86 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.62 1.568 . . . . 20.0 113.847 179.403 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' -2' ' ' ASP . 33.7 t70 -63.5 -31.57 72.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.131 0.491 . . . . 20.0 110.744 179.548 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -80.77 -0.05 36.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.963 -0.562 . . . . 20.0 110.77 -179.312 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -130.97 30.48 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 20.0 109.594 178.335 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -76.94 133.16 39.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.809 -0.632 . . . . 20.0 110.114 -179.498 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.84 61.42 1.68 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.962 0.41 . . . . 20.0 110.626 -177.041 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.01 64.39 6.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.733 0.777 . . . . 20.0 111.158 -177.251 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.47 ' HB3' ' HD2' ' A' ' 7' ' ' PRO . 7.5 m -85.42 175.7 4.31 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 114.805 -1.089 . . . . 20.0 108.307 172.693 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.47 ' HD2' ' HB3' ' A' ' 6' ' ' SER . 87.1 Cg_exo -44.14 -58.96 1.23 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.987 1.791 . . . . 20.0 111.54 174.527 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.0 tpt 65.41 125.85 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.447 0.641 . . . . 20.0 112.686 170.513 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.489 HG23 ' H ' ' A' ' 11' ' ' GLU . 14.9 p -56.1 139.82 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.879 -0.6 . . . . 20.0 110.088 175.521 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 t -69.55 -10.74 59.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.07 0.462 . . . . 20.0 110.946 -175.015 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.489 ' H ' HG23 ' A' ' 9' ' ' VAL . 41.6 mm-40 -90.86 62.26 4.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.948 -0.569 . . . . 20.0 109.621 174.338 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -82.52 73.24 9.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.841 0.829 . . . . 20.0 111.079 -177.975 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -81.68 -2.66 51.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.19 -0.914 . . . . 20.0 109.926 176.823 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 p -80.44 55.67 2.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.284 -0.871 . . . . 20.0 111.19 -179.218 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 18.5 pt -89.83 169.8 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.334 -0.848 . . . . 20.0 110.721 -179.272 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.45 -36.77 71.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.75 0.31 . . . . 20.0 110.902 178.684 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -63.87 -29.15 70.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 20.0 111.191 179.425 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.97 -40.23 92.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.047 -0.353 . . . . 20.0 110.047 179.492 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -67.56 -24.77 65.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.705 -177.31 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m -70.76 -41.58 71.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.979 -0.555 . . . . 20.0 110.136 177.44 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.64 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 43.6 m-85 -80.86 -30.78 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.268 -179.752 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -54.82 -37.79 66.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.779 -0.646 . . . . 20.0 110.186 178.886 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.65 -45.17 95.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.839 179.752 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -77.83 -36.37 50.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 20.0 110.801 -178.018 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.77 -26.72 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.902 0.382 . . . . 20.0 110.346 177.626 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -70.27 -24.23 63.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.98 -0.555 . . . . 20.0 110.249 178.495 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.91 -32.34 20.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.122 0.487 . . . . 20.0 110.527 178.249 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -91.06 2.15 56.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.661 -0.699 . . . . 20.0 111.222 -177.843 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.0 p -56.12 -24.8 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 112.356 0.502 . . . . 20.0 112.356 -173.621 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.86 66.67 2.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.216 0.531 . . . . 20.0 110.153 176.468 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 p -87.98 151.61 22.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.63 -0.714 . . . . 20.0 110.37 -178.944 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 t -90.17 38.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.265 0.555 . . . . 20.0 110.224 -177.363 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -108.93 18.24 20.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.824 -0.626 . . . . 20.0 110.594 -179.285 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.46 95.16 5.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.666 -179.01 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 4.9 m-20 -74.08 140.91 77.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.244 -0.434 . . . . 20.0 110.277 178.682 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 7.5 Cg_exo -73.91 62.13 4.81 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.747 2.298 . . . . 20.0 111.503 174.994 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -98.78 120.32 59.1 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.406 -0.816 . . . . 20.0 110.453 -176.545 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.9 54.94 4.24 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.829 2.353 . . . . 20.0 112.466 -179.673 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.3 176.65 8.22 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.481 -0.781 . . . . 20.0 109.619 179.396 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.7 mt -58.78 117.45 21.06 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 120.767 0.318 . . . . 20.0 110.222 175.765 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.79 161.82 18.76 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.685 2.257 . . . . 20.0 112.362 -178.118 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -82.27 -1.1 48.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.366 0.603 . . . . 20.0 109.71 178.201 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.561 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 8.6 m-20 -70.12 -15.65 63.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.295 -0.866 . . . . 20.0 110.206 177.295 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.15 -43.49 95.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.751 -0.658 . . . . 20.0 110.415 177.947 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.3 -38.09 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.466 0.65 . . . . 20.0 109.9 178.31 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.17 -30.81 71.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.962 -1.017 . . . . 20.0 111.26 179.362 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.561 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 5.3 mmp_? -56.15 -42.38 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.481 -0.327 . . . . 20.0 111.549 -176.723 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -65.37 -35.32 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.265 0.555 . . . . 20.0 110.28 -179.314 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.38 -25.96 42.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.211 -179.597 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.37 -31.59 72.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.817 -0.628 . . . . 20.0 110.316 175.02 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.53 -28.18 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 20.0 110.684 176.797 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -73.89 -40.67 63.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.356 -0.609 . . . . 20.0 109.356 175.195 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.626 ' HE1' ' CE2' ' A' ' 53' ' ' PHE . 74.8 t80 -66.16 -23.63 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.312 177.379 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.581 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -64.11 -18.64 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.793 -0.64 . . . . 20.0 111.215 177.57 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -90.06 -21.82 22.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.168 0.509 . . . . 20.0 110.216 176.756 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -91.89 -2.42 56.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.853 -0.612 . . . . 20.0 111.368 178.737 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.581 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 4.7 ptp180 -66.79 -27.75 67.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 20.0 110.787 -178.48 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -81.25 -15.58 55.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.132 0.492 . . . . 20.0 110.321 178.135 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -91.21 -49.43 6.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.627 -0.715 . . . . 20.0 109.999 -179.43 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -95.34 -85.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.926 -179.202 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.8 m -159.01 165.38 34.16 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.764 -0.458 . . . . 20.0 109.764 179.678 . . . . . . . . 1 1 . 1 . 045 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.462 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . 21.7 pttp -129.67 59.1 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.52 0.676 . . . . 20.0 110.472 178.511 . . . . . . . . 2 2 . 1 . 045 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.348 -0.834 . . . . 20.0 110.471 -178.819 . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.869 0.366 . . . . 20.0 110.461 . . . . . . . . . 0 0 . 1 . 046 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -153.45 121.06 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.377 -0.601 . . . . 20.0 109.377 -179.606 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -90.29 165.73 13.74 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.881 -0.328 . . . . 20.0 110.988 -176.023 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 63.5 tttm 75.79 -46.01 0.55 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.932 0.77 . . . . 20.0 111.491 179.28 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -103.11 109.19 20.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.54 -0.541 . . . . 20.0 109.54 175.373 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -92.57 -65.08 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.865 -0.334 . . . . 20.0 111.25 -176.318 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -128.04 152.95 47.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.223 0.535 . . . . 20.0 111.053 -178.158 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -90.78 -4.92 56.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.685 -0.689 . . . . 20.0 111.255 -176.202 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -81.57 -2.96 51.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.33 0.586 . . . . 20.0 110.286 -178.2 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -118.21 91.59 3.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.49 -0.777 . . . . 20.0 109.008 171.195 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -69.6 131.93 45.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.988 -0.551 . . . . 20.0 111.189 -175.353 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.15 -7.66 57.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.768 -0.651 . . . . 20.0 111.449 -178.127 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 5' ' ' LEU . 3.0 mm? -88.52 40.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.471 0.653 . . . . 20.0 110.189 -179.146 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -153.71 142.2 14.28 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.293 -0.867 . . . . 20.0 109.13 178.736 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.6 71.61 3.18 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.538 2.159 . . . . 20.0 112.354 179.644 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mtp -91.01 56.73 3.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.517 0.675 . . . . 20.0 110.09 -179.462 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.3 m -112.59 176.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.15 -0.932 . . . . 20.0 109.643 178.948 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t 70.17 171.87 0.31 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.707 0.629 . . . . 20.0 110.285 -179.898 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -96.28 151.75 19.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.142 -0.481 . . . . 20.0 110.236 -178.202 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -87.41 49.51 1.83 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.304 0.573 . . . . 20.0 110.117 -179.368 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -151.17 142.94 23.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.102 -0.954 . . . . 20.0 109.075 -178.207 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.9 p 54.21 178.05 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.923 0.765 . . . . 20.0 111.989 -175.436 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt 64.54 77.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.605 0.717 . . . . 20.0 109.673 -177.358 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -60.1 -31.81 70.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.375 -0.829 . . . . 20.0 111.746 -173.051 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.85 -44.54 96.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 20.0 110.92 -178.036 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.77 -33.81 46.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.888 0.375 . . . . 20.0 110.479 -179.666 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.94 -20.57 65.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 20.0 111.032 179.332 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -65.01 -34.61 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 20.0 110.648 177.1 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -78.04 -38.07 45.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.729 -0.471 . . . . 20.0 109.729 178.049 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.18 -40.94 95.8 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.967 -0.56 . . . . 20.0 109.868 175.267 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.52 -47.52 83.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.8 -0.636 . . . . 20.0 110.414 178.035 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -62.83 -42.33 99.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.608 -0.724 . . . . 20.0 111.034 -179.096 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -73.67 -37.04 65.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 20.0 110.528 -178.587 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -68.28 -32.07 71.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.981 -0.554 . . . . 20.0 110.297 179.016 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.29 -24.63 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.599 . . . . 20.0 111.414 -179.504 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -67.56 -32.11 72.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 20.0 110.255 178.527 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -90.45 -51.9 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.205 -0.452 . . . . 20.0 110.364 177.72 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.25 76.8 1.47 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.989 -0.551 . . . . 20.0 110.108 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.8 m -76.95 89.67 3.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.676 -177.913 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 m -99.8 -20.04 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.925 -0.58 . . . . 20.0 110.663 179.882 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.2 tp -153.51 100.23 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.954 -0.566 . . . . 20.0 110.185 179.535 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.85 154.56 38.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.152 -0.477 . . . . 20.0 110.332 177.784 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -91.26 132.14 34.75 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.035 -0.529 . . . . 20.0 109.708 176.929 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.87 114.36 1.92 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.94 2.427 . . . . 20.0 112.196 -177.531 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -65.36 146.37 98.96 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.49 -0.777 . . . . 20.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.56 65.22 3.79 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.776 2.317 . . . . 20.0 112.58 -177.066 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.92 144.9 31.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.579 -0.737 . . . . 20.0 110.154 178.572 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.3 mt -84.63 120.95 74.67 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 116.168 -0.469 . . . . 20.0 109.799 179.411 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -64.19 126.48 17.2 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.501 2.134 . . . . 20.0 111.551 -179.785 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -65.23 -16.01 63.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.618 -175.478 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.27 -43.49 78.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.015 0.436 . . . . 20.0 110.547 178.023 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -69.24 -34.84 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 20.0 110.645 -176.908 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.84 -49.55 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.68 . . . . 20.0 110.662 -178.775 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.91 -48.72 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.72 -0.673 . . . . 20.0 110.965 -179.323 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.411 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 40.5 ttm180 -58.05 -38.93 77.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.975 0.417 . . . . 20.0 111.003 -179.677 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -70.07 -48.37 58.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.981 -0.554 . . . . 20.0 111.169 -178.719 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.7 mtt -80.23 -48.88 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.18 0.437 . . . . 20.0 112.18 -173.504 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -56.17 14.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.54 0.57 . . . . 20.0 112.54 -171.323 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.411 ' OE2' ' HG3' ' A' ' 47' ' ' ARG . 37.7 mt-10 -60.45 -36.3 77.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.903 0.334 . . . . 20.0 111.903 -174.093 . . . . . . . . 2 2 . 1 . 046 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -78.59 -35.12 46.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.771 0.32 . . . . 20.0 110.829 -179.394 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -75.32 -22.92 57.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.924 0.393 . . . . 20.0 110.195 -179.243 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.17 87.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.612 176.321 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -75.52 -16.8 60.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.947 -0.569 . . . . 20.0 110.158 179.063 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.5 mtt -87.71 -10.91 49.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.74 -0.664 . . . . 20.0 110.518 177.281 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -86.07 -33.14 21.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.118 -0.492 . . . . 20.0 109.725 174.904 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt 58.28 -94.72 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.002 -0.999 . . . . 20.0 111.796 177.967 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -96.09 -12.82 24.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 20.0 110.619 -179.44 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -81.6 3.71 24.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 20.0 110.983 -177.542 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.2 p -79.59 -30.89 41.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.922 0.391 . . . . 20.0 110.799 178.973 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -82.96 136.59 34.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.346 -177.337 . . . . . . . . 1 1 . 1 . 046 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.428 -0.796 . . . . 20.0 109.799 179.938 . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 49.8 tpp . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.403 -0.221 . . . . 20.0 110.403 . . . . . . . . . 0 0 . 1 . 047 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 36.1 t70 64.4 94.89 0.05 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.637 0.586 . . . . 20.0 111.116 179.563 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.638 ' HE2' ' CE1' ' A' ' -5' ' ' TYR . 56.1 m-85 65.79 84.58 0.15 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.39 -0.823 . . . . 20.0 111.474 -179.716 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.91 53.97 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.617 -0.72 . . . . 20.0 109.677 179.414 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -132.33 72.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.536 . . . . 20.0 110.6 -177.083 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -67.5 -40.93 85.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.37 0.605 . . . . 20.0 110.609 178.867 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 17.6 t70 63.62 27.32 14.87 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.528 -1.215 . . . . 20.0 111.308 176.459 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -74.78 -42.65 57.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.19 0.519 . . . . 20.0 109.796 176.852 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.502 ' HZ2' ' HB3' ' A' ' 1' ' ' LYS . 7.8 ttpm? -88.43 0.25 56.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.598 -0.728 . . . . 20.0 109.102 175.201 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 72.98 133.45 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 114.493 -1.23 . . . . 20.0 111.059 178.832 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -80.05 54.59 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.191 -0.459 . . . . 20.0 111.987 -175.04 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.94 31.99 17.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.276 0.56 . . . . 20.0 111.599 178.029 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.6 mt -95.81 -5.77 41.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.954 -0.567 . . . . 20.0 109.945 -179.573 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 p -132.29 97.76 17.68 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.484 179.75 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.06 8.4 3.21 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.811 2.341 . . . . 20.0 112.313 -178.784 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.8 ptm -153.22 140.93 20.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.803 -0.635 . . . . 20.0 109.301 176.717 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 p -73.72 116.61 16.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.217 0.532 . . . . 20.0 110.154 178.951 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -68.96 124.48 23.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.668 -0.696 . . . . 20.0 111.369 -175.918 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 59.61 68.35 0.8 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.66 -0.7 . . . . 20.0 111.613 174.599 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -122.72 72.22 1.07 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.656 -0.702 . . . . 20.0 109.65 178.287 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.97 -169.66 1.73 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.607 -0.724 . . . . 20.0 110.106 -179.833 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.405 ' O ' HG21 ' A' ' 14' ' ' THR . 5.9 t -145.02 91.88 2.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.836 0.827 . . . . 20.0 110.074 176.757 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 pt -75.12 176.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.516 -0.765 . . . . 20.0 111.315 -179.26 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -51.39 -41.56 60.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.933 0.397 . . . . 20.0 111.499 -179.454 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -66.92 -30.37 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.712 -178.447 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.647 ' HA ' ' CD2' ' A' ' 21' ' ' TYR . 45.9 mt-10 -81.4 -35.13 31.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 20.0 109.962 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.09 -34.44 76.32 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.394 -0.595 . . . . 20.0 109.394 172.644 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.3 m -71.04 -20.74 62.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.667 -0.697 . . . . 20.0 111.155 179.76 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.647 ' CD2' ' HA ' ' A' ' 18' ' ' GLU . 15.6 m-85 -68.03 -23.14 64.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.874 0.368 . . . . 20.0 110.372 177.295 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -67.69 -18.06 64.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.19 -30.42 71.48 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.041 0.448 . . . . 20.0 110.382 175.507 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -70.66 -33.75 71.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.993 -0.549 . . . . 20.0 110.05 177.959 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mp -78.49 -33.84 47.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 20.0 109.985 177.643 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HA ' HG13 ' A' ' 29' ' ' VAL . 77.7 ttt180 -49.91 -41.45 46.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.177 -0.92 . . . . 20.0 111.88 -179.044 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.05 77.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.886 -177.411 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -92.46 -34.09 14.25 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.339 0.496 . . . . 20.0 112.339 -178.266 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.411 HG13 ' HA ' ' A' ' 26' ' ' ARG . 6.4 p -86.17 -22.62 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.015 0.376 . . . . 20.0 112.015 -173.372 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.0 157.96 21.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.524 0.202 . . . . 20.0 110.485 -177.966 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 t -174.14 157.57 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.714 0.292 . . . . 20.0 110.368 -179.111 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 t -95.62 11.55 32.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.452 0.644 . . . . 20.0 109.733 178.422 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.8 mt -104.61 37.34 2.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.365 -0.834 . . . . 20.0 110.099 179.285 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.14 130.99 55.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.899 -179.389 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -81.24 137.74 48.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.255 -0.43 . . . . 20.0 110.436 179.219 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.91 135.57 64.1 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.846 2.364 . . . . 20.0 112.025 177.288 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.498 ' O ' HG21 ' A' ' 40' ' ' ILE . 4.9 mpt_? -80.91 144.84 56.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.013 -0.539 . . . . 20.0 110.058 -178.979 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.43 144.45 99.41 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.474 2.116 . . . . 20.0 111.573 176.255 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 62.12 60.46 1.48 Allowed 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.761 0.663 . . . . 20.0 111.733 179.937 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.498 HG21 ' O ' ' A' ' 37' ' ' ARG . 5.2 pt -91.15 136.67 26.99 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.181 174.829 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.405 ' O ' HG21 ' A' ' 45' ' ' VAL . 18.8 Cg_endo -63.27 148.61 92.83 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.666 2.244 . . . . 20.0 111.901 179.684 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.496 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 36.1 m-70 -59.09 -29.77 67.6 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.306 -0.861 . . . . 20.0 111.973 -173.38 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -77.77 -30.16 51.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 20.0 110.548 -178.875 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.433 ' HG3' ' HE ' ' A' ' 47' ' ' ARG . 22.6 tt0 -73.88 -35.45 64.7 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.831 -0.433 . . . . 20.0 109.831 176.248 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 41' ' ' PRO . 80.0 t -57.79 -40.36 75.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.097 -0.501 . . . . 20.0 110.481 177.074 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 35.4 mt-10 -60.37 -54.34 46.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.177 179.755 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' HE ' ' HG3' ' A' ' 44' ' ' GLU . 40.6 ptt180 -68.16 -30.21 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.398 . . . . 20.0 110.859 -177.712 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -79.2 -27.19 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.565 -178.028 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 48.2 ttm -64.07 -37.03 85.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 20.0 110.516 -179.031 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.81 79.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.314 0.578 . . . . 20.0 110.373 176.638 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.17 -21.31 46.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.836 . . . . 20.0 110.412 179.624 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -33.01 60.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.709 174.683 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.65 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 55.5 t80 -71.77 -26.43 62.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.87 -0.605 . . . . 20.0 109.908 176.705 . . . . . . . . 2 2 . 1 . 047 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.8 -24.4 65.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.707 -0.679 . . . . 20.0 110.782 176.254 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -63.44 -32.21 73.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.864 -0.607 . . . . 20.0 110.28 176.828 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.7 ttt -64.17 -29.22 70.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.776 -0.647 . . . . 20.0 110.66 179.335 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -74.51 -21.12 59.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.39 -179.844 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 68.27 7.91 6.24 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.464 -0.789 . . . . 20.0 112.245 176.446 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -94.54 89.14 5.7 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.448 -0.575 . . . . 20.0 109.448 177.86 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -80.65 -59.6 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.193 0.52 . . . . 20.0 109.856 -176.7 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 t -151.31 27.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.459 -0.792 . . . . 20.0 109.531 -178.54 . . . . . . . . 1 1 . 1 . 047 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -106.12 131.16 53.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.628 -0.715 . . . . 20.0 109.497 -178.326 . . . . . . . . 3 3 . 1 . 047 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.409 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 15.2 mm100 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.747 -0.644 . . . . 20.0 110.23 179.574 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.173 -0.306 . . . . 20.0 110.173 . . . . . . . . . 0 0 . 1 . 048 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 66.38 32.7 7.45 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.63 0.581 . . . . 20.0 110.761 179.023 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -90.04 6.76 40.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.168 0.509 . . . . 20.0 110.809 179.571 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -96.32 -70.65 0.71 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.029 -0.73 . . . . 20.0 109.029 174.751 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -154.87 163.97 39.52 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.942 -0.762 . . . . 20.0 108.942 175.053 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.2 -43.38 86.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.09 0.472 . . . . 20.0 110.057 177.72 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -134.42 137.26 43.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.54 -0.755 . . . . 20.0 109.758 178.775 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.11 -31.92 73.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 20.0 111.084 -177.691 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 2' ' ' ASN . 27.2 mtpp -93.92 -1.72 54.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.037 -0.529 . . . . 20.0 110.972 177.116 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 14.8 m120 69.25 -66.66 0.25 Allowed 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.842 0.714 . . . . 20.0 110.887 -175.153 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.8 mtp180 -94.11 76.6 4.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.201 0.524 . . . . 20.0 110.225 178.25 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.47 91.11 4.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 20.0 110.191 178.642 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mp -104.99 108.11 19.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.401 -0.363 . . . . 20.0 110.718 -177.797 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -78.84 126.41 82.39 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.145 -0.479 . . . . 20.0 110.138 178.373 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -54.63 107.9 0.26 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.859 2.372 . . . . 20.0 112.162 178.211 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.1 mtt -74.49 137.47 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.176 -0.465 . . . . 20.0 110.9 -176.119 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.08 50.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.841 0.829 . . . . 20.0 111.577 -177.61 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.2 t -158.6 140.6 13.86 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.179 -0.919 . . . . 20.0 108.963 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.64 155.07 43.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.187 -0.301 . . . . 20.0 110.187 -178.426 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.641 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 4.6 p90 -105.8 78.95 1.38 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.358 0.599 . . . . 20.0 110.612 178.85 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -89.98 128.06 36.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.938 -0.574 . . . . 20.0 111.105 -177.34 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p 46.1 70.2 0.4 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.811 0.694 . . . . 20.0 112.451 179.574 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 tp -68.74 148.16 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.207 0.527 . . . . 20.0 110.354 178.863 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 42.3 mt-10 -75.57 -7.47 54.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.913 -0.585 . . . . 20.0 112.204 -175.32 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -54.52 -46.35 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.75 -0.204 . . . . 20.0 111.032 179.176 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.7 -28.62 65.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.941 0.4 . . . . 20.0 110.642 178.621 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.409 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 12.3 m120 -68.76 -34.62 75.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.483 -0.562 . . . . 20.0 109.483 178.93 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.6 m -79.54 -21.65 44.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.449 178.185 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -74.15 -45.92 45.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.955 -177.623 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -69.0 -30.47 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.68 -0.408 . . . . 20.0 110.317 -179.171 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.97 -37.85 87.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.179 0.514 . . . . 20.0 109.82 175.185 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -64.24 -39.92 94.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.634 -0.712 . . . . 20.0 110.221 176.763 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.3 -38.32 90.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.097 0.475 . . . . 20.0 110.144 177.459 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -58.81 -43.38 90.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.619 -0.719 . . . . 20.0 110.748 175.906 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.27 72.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 20.0 111.05 179.829 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -68.5 -46.05 70.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.867 178.588 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.28 -67.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.605 -177.117 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -167.93 127.32 1.29 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.025 0.44 . . . . 20.0 111.765 -175.099 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.9 m -88.86 -27.86 20.75 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.567 0.698 . . . . 20.0 109.204 173.568 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 m -136.73 135.49 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.254 -0.884 . . . . 20.0 109.189 175.341 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.412 ' N ' HD23 ' A' ' 33' ' ' LEU . 3.0 mm? -92.68 74.97 5.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.783 -0.189 . . . . 20.0 110.694 -175.152 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 50.27 64.64 1.71 Allowed 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.728 0.642 . . . . 20.0 111.081 179.236 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -112.02 102.26 53.42 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.82 -0.627 . . . . 20.0 110.868 -175.553 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -90.11 16.7 1.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.033 2.489 . . . . 20.0 112.329 177.437 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -78.15 137.37 60.85 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.293 -177.893 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.72 108.18 1.61 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.275 1.983 . . . . 20.0 111.679 175.272 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.67 130.84 42.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.21 -0.45 . . . . 20.0 111.204 -176.992 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.412 HD13 ' O ' ' A' ' 40' ' ' ILE . 1.2 pp -73.51 121.02 84.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.035 0.445 . . . . 20.0 111.081 178.311 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.73 144.54 53.53 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.969 2.446 . . . . 20.0 112.722 179.196 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -91.34 2.65 56.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.271 0.558 . . . . 20.0 109.953 175.332 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -51.14 -45.2 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.886 -1.052 . . . . 20.0 112.949 -174.071 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -23.09 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.733 -0.387 . . . . 20.0 110.544 -177.051 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.2 t -62.0 -37.06 77.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.47 -0.567 . . . . 20.0 109.47 173.283 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.01 -38.39 73.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.253 -0.885 . . . . 20.0 110.279 174.669 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -74.6 -38.56 62.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.814 -0.63 . . . . 20.0 109.972 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -58.3 -41.65 84.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.576 . . . . 20.0 110.218 175.029 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.0 mmt -70.25 -31.87 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.711 -0.677 . . . . 20.0 110.751 178.01 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.02 -43.06 88.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.543 177.389 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.97 -33.98 74.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.826 -0.624 . . . . 20.0 110.059 177.354 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -63.7 -39.88 95.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.53 -0.759 . . . . 20.0 110.112 176.754 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.631 ' HE2' ' CE1' ' A' ' 53' ' ' PHE . 78.6 t80 -68.02 -36.04 79.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.144 176.696 . . . . . . . . 2 2 . 1 . 048 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.16 76.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.006 179.106 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -69.67 -23.76 63.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.74 178.466 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 97.0 mmm -85.98 -22.0 27.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.152 0.501 . . . . 20.0 110.379 178.738 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -76.96 -13.4 59.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.628 -0.714 . . . . 20.0 110.152 177.818 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -65.05 110.21 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.947 -0.57 . . . . 20.0 111.171 -179.225 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -93.89 89.22 6.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.815 -0.629 . . . . 20.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -94.47 6.72 47.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.486 0.66 . . . . 20.0 109.844 177.457 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -140.45 144.64 36.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.149 -0.932 . . . . 20.0 108.539 176.066 . . . . . . . . 1 1 . 1 . 048 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.446 ' HZ2' ' HB3' ' A' ' 62' ' ' LYS . 0.1 OUTLIER -76.93 80.46 3.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.426 0.632 . . . . 20.0 111.234 -177.417 . . . . . . . . 3 3 . 1 . 048 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.157 -0.925 . . . . 20.0 110.65 179.125 . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.792 0.329 . . . . 20.0 110.806 . . . . . . . . . 0 0 . 1 . 049 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -94.66 -18.65 21.13 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.974 0.416 . . . . 20.0 111.218 -178.352 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 1.624 ' HD2' ' CD1' ' A' ' -5' ' ' TYR . 72.3 m-85 -105.63 126.29 51.97 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.533 -175.691 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . 0.462 ' HD3' ' N ' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -151.89 165.48 34.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.944 -0.571 . . . . 20.0 109.625 179.537 . . . . . . . . 3 3 . 1 . 049 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -125.98 57.25 1.38 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.131 0.491 . . . . 20.0 110.519 -179.569 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.48 -67.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.502 -0.772 . . . . 20.0 110.088 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 5.5 t70 49.31 86.41 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.294 -0.866 . . . . 20.0 111.455 -179.672 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.97 -33.43 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 20.0 112.094 -177.951 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -81.14 -6.99 59.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.922 0.392 . . . . 20.0 110.642 -175.385 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.2 m120 62.75 26.71 15.76 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.433 -0.803 . . . . 20.0 111.343 176.575 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 50.78 43.65 28.13 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.836 -0.62 . . . . 20.0 111.887 -178.746 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.84 66.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.42 -0.355 . . . . 20.0 110.763 179.073 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.3 tp 51.16 56.96 7.17 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.76 0.791 . . . . 20.0 110.517 -178.954 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -135.89 79.19 46.08 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.567 -0.742 . . . . 20.0 110.61 -179.1 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -72.66 -72.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.414 2.076 . . . . 20.0 110.983 177.848 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 tpp -106.5 -32.99 7.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.174 -0.676 . . . . 20.0 109.174 175.986 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.81 146.42 17.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.22 -0.9 . . . . 20.0 109.322 178.559 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.5 t -83.27 79.62 9.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.208 0.528 . . . . 20.0 110.104 -177.826 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -105.75 128.89 53.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.815 -0.63 . . . . 20.0 111.303 -179.163 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -119.4 86.25 2.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.375 -0.83 . . . . 20.0 109.976 178.03 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.3 -34.22 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.224 -0.444 . . . . 20.0 110.502 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -91.74 93.26 8.8 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.12 -0.491 . . . . 20.0 111.158 -179.006 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.4 mt -56.44 -37.7 52.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.763 -0.653 . . . . 20.0 110.857 178.748 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.11 -37.7 80.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.589 -0.732 . . . . 20.0 111.003 179.733 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -83.69 -30.48 26.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 20.0 110.262 179.63 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.83 -26.52 68.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.067 176.467 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -61.03 -31.53 71.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.63 178.397 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -71.01 -30.92 67.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.066 0.46 . . . . 20.0 110.451 178.273 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.508 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 65.9 m-85 -73.7 -38.22 64.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.34 0.591 . . . . 20.0 109.625 176.264 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -69.88 -21.89 63.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.52 -0.764 . . . . 20.0 110.591 176.861 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -66.03 -39.52 90.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 20.0 109.878 178.027 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.508 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 9.0 m0 -73.26 -27.26 61.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.108 0.48 . . . . 20.0 110.093 177.466 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.8 mt -72.63 -10.59 59.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 20.0 110.881 178.066 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -66.75 -40.12 88.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 20.0 110.435 174.373 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.46 -34.3 20.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.45 0.643 . . . . 20.0 110.456 179.356 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -82.72 3.81 27.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.234 -0.894 . . . . 20.0 111.342 -179.219 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p -51.97 -27.91 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 112.355 0.502 . . . . 20.0 112.355 -176.147 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.57 62.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.156 0.503 . . . . 20.0 111.159 -178.97 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.462 HG23 ' CD1' ' A' ' 33' ' ' LEU . 4.4 m -123.68 74.31 1.26 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.84 -0.618 . . . . 20.0 109.336 -179.387 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.8 m -86.32 92.34 8.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.445 . . . . 20.0 111.953 -173.794 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 31' ' ' THR . 8.4 mp -90.06 -33.85 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.309 -0.626 . . . . 20.0 109.309 171.433 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.72 69.65 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.912 -0.585 . . . . 20.0 109.986 177.829 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -73.95 143.27 80.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.789 -0.641 . . . . 20.0 110.775 -177.284 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -86.5 32.07 0.45 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 123.061 2.507 . . . . 20.0 112.804 179.894 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 60.17 75.32 0.49 Allowed Pre-proline 0 N--CA 1.465 0.323 0 CA-C-N 115.692 -0.685 . . . . 20.0 111.327 179.14 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.46 142.43 44.83 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.523 2.148 . . . . 20.0 111.967 -179.464 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 52.87 64.01 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.688 178.503 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 pt -73.85 135.14 77.72 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.435 177.695 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.66 146.78 42.5 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.154 2.569 . . . . 20.0 111.839 179.978 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -62.77 -25.9 68.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.749 -0.659 . . . . 20.0 110.915 -173.029 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.517 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 15.6 t70 -70.48 -39.43 74.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 20.0 110.36 176.557 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.507 ' HG3' ' NH1' ' A' ' 48' ' ' ARG . 32.5 tt0 -72.47 -35.71 68.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.083 -179.633 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.6 t -60.51 -45.79 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.132 175.206 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.76 -27.83 69.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.361 -0.836 . . . . 20.0 111.389 -178.033 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.517 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 62.3 mtt-85 -84.83 -53.35 5.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.549 -0.296 . . . . 20.0 111.205 178.751 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.507 ' NH1' ' HG3' ' A' ' 44' ' ' GLU . 7.2 mpt_? -87.41 -59.58 2.21 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.339 0.496 . . . . 20.0 112.339 -173.01 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 62.6 mtp -69.32 -19.91 63.88 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.329 0.492 . . . . 20.0 112.329 -172.297 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.14 78.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.968 0.414 . . . . 20.0 110.929 177.368 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -67.94 -29.7 68.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.662 -179.339 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.527 ' O ' ' HG3' ' A' ' 56' ' ' MET . 36.4 mtp180 -79.12 -33.08 44.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.775 -179.785 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -66.35 -37.95 86.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 20.0 109.806 177.833 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.67 -28.07 68.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.089 174.93 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -79.1 -26.82 42.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.481 -0.781 . . . . 20.0 110.302 178.295 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.527 ' HG3' ' O ' ' A' ' 52' ' ' ARG . 68.0 mtt -63.46 -17.49 62.77 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.857 179.059 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -57.92 -35.43 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.362 0.601 . . . . 20.0 109.769 175.992 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -164.73 78.29 0.34 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.483 -0.932 . . . . 20.0 108.483 179.031 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.9 -11.36 20.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.024 0.44 . . . . 20.0 110.52 -177.825 . . . . . . . . 2 2 . 1 . 049 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 59.04 34.5 23.52 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.067 -0.969 . . . . 20.0 110.472 178.699 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 t -148.98 147.51 28.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.254 -0.43 . . . . 20.0 109.864 -178.697 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -94.24 84.74 4.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.343 -0.389 . . . . 20.0 110.579 -176.136 . . . . . . . . 1 1 . 1 . 049 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.107 -0.949 . . . . 20.0 110.909 -178.094 . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.774 0.321 . . . . 20.0 111.056 . . . . . . . . . 0 0 . 1 . 050 nuclear orig full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -98.5 -175.55 3.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.731 -0.213 . . . . 20.0 110.469 179.367 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' -5' ' ' TYR . . . . . 0.533 ' CD1' ' HA ' ' A' ' 7' ' ' PRO . 82.3 t80 -60.78 135.59 57.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.455 -0.338 . . . . 20.0 110.806 -178.515 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 82.9 tttt 57.32 46.62 18.15 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.904 0.859 . . . . 20.0 109.615 -177.998 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -160.89 -47.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.836 -1.074 . . . . 20.0 110.024 179.85 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' -2' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 0' ' ' ASP . 11.4 t70 -63.04 -69.75 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.477 179.986 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.12 -2.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.29 0.848 . . . . 20.0 113.29 174.45 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 0' ' ' ASP . . . . . 0.402 ' H ' ' C ' ' A' ' -2' ' ' ASP . 54.4 m-20 -91.57 -67.06 0.88 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.057 0.456 . . . . 20.0 109.828 177.019 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -93.27 -25.73 17.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.019 -0.537 . . . . 20.0 109.948 178.423 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -111.54 96.05 5.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.997 -0.547 . . . . 20.0 109.975 178.238 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -104.92 70.12 0.9 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.257 -0.429 . . . . 20.0 110.289 -178.982 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.27 -167.61 0.18 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.576 -0.738 . . . . 20.0 111.387 179.64 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 mp 65.44 5.49 3.21 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.947 178.136 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 t -171.85 100.25 0.38 Allowed Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 120.713 0.292 . . . . 20.0 110.851 -176.873 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.533 ' HA ' ' CD1' ' A' ' -5' ' ' TYR . 17.1 Cg_exo -67.7 -51.43 0.68 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.353 2.035 . . . . 20.0 110.689 172.141 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.4 tpp -154.25 51.15 0.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.772 0.796 . . . . 20.0 109.544 176.366 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.87 95.38 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.538 -0.755 . . . . 20.0 110.004 179.646 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 m 63.81 28.52 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.773 -0.649 . . . . 20.0 111.427 179.205 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -90.89 92.9 8.98 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.459 -0.571 . . . . 20.0 109.459 177.502 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 1.661 ' HE2' ' CE1' ' A' ' 12' ' ' PHE . 67.2 m-85 -99.54 98.49 9.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.985 0.421 . . . . 20.0 111.311 -175.351 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.457 ' C ' ' HG1' ' A' ' 14' ' ' THR . 10.2 pt-20 -130.45 174.53 9.78 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.12 -0.696 . . . . 20.0 109.12 176.882 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.476 ' HB ' ' HB3' ' A' ' 17' ' ' GLN . 18.1 p 44.63 61.49 2.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.273 0.559 . . . . 20.0 111.254 -176.453 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.31 -38.42 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.647 -0.706 . . . . 20.0 111.601 -172.841 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -67.19 -43.24 82.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.055 179.662 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 35.2 tt0 -66.45 -37.04 84.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.668 -0.697 . . . . 20.0 110.836 -179.581 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.58 -44.85 95.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.41 -178.311 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -72.76 -42.28 64.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.154 -0.475 . . . . 20.0 111.22 -178.295 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 p -65.42 -33.81 76.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.013 0.435 . . . . 20.0 110.977 -178.484 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 1.664 ' HD2' ' CD1' ' A' ' 21' ' ' TYR . 68.4 t80 -72.95 -38.62 66.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.273 -0.422 . . . . 20.0 110.46 179.266 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -64.19 -33.56 76.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.362 -0.381 . . . . 20.0 110.819 178.22 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.03 -38.95 93.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.344 -0.389 . . . . 20.0 110.577 176.282 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -70.91 -37.74 72.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.319 -0.4 . . . . 20.0 110.513 177.526 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.4 tp -56.94 -42.12 79.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.038 0.447 . . . . 20.0 110.289 178.031 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -70.29 -27.34 64.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.877 -0.601 . . . . 20.0 111.125 178.958 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.47 -32.53 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.042 -179.137 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -74.12 -39.88 63.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.731 -179.137 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 p -71.7 -7.4 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 121.546 0.689 . . . . 20.0 110.699 -179.274 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.7 43.21 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.583 -0.735 . . . . 20.0 109.894 177.53 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 t -83.91 -12.33 55.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.265 -176.07 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.1 t -139.82 154.05 47.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.156 -177.306 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.6 51.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.248 -0.649 . . . . 20.0 109.248 177.949 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.13 58.34 3.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.464 -0.789 . . . . 20.0 109.95 178.248 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -102.68 119.98 54.2 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.329 -0.851 . . . . 20.0 110.662 -175.234 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -93.65 20.35 0.71 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.09 2.527 . . . . 20.0 113.123 179.799 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -89.91 137.71 28.13 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.719 0.295 . . . . 20.0 110.958 -177.024 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.6 97.73 0.55 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.669 2.246 . . . . 20.0 111.492 173.941 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 65.32 105.35 0.04 OUTLIER 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.668 -0.696 . . . . 20.0 111.855 -179.775 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.2 126.79 92.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.358 -0.608 . . . . 20.0 109.358 174.847 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -50.21 117.46 3.17 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.522 2.148 . . . . 20.0 111.889 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.591 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 44.2 m80 -91.91 -19.51 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.092 -0.504 . . . . 20.0 110.947 -176.519 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.17 -37.48 80.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.537 -177.216 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.81 -13.0 60.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.814 0.34 . . . . 20.0 110.847 179.242 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.0 t -91.11 -48.11 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.015 0.436 . . . . 20.0 110.405 176.191 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.591 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 31.4 mm-40 -54.27 -37.23 64.48 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.522 -0.763 . . . . 20.0 111.353 -178.721 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -59.14 -33.23 70.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.023 -0.535 . . . . 20.0 111.164 -179.545 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.507 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 45.0 mtp180 -82.41 -43.11 17.73 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.998 -0.371 . . . . 20.0 109.998 -178.809 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 59.9 mtt -61.29 -28.45 69.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.944 -0.571 . . . . 20.0 111.108 -179.384 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.405 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -54.94 -45.68 74.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 20.0 111.085 177.572 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -78.77 -22.46 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.565 -179.509 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.517 ' O ' ' HG2' ' A' ' 56' ' ' MET . 25.5 mmm180 -79.59 -19.86 48.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.904 -178.106 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 1.666 ' HD1' ' CD2' ' A' ' 53' ' ' PHE . 13.3 m-85 -57.91 -31.02 66.37 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.654 -0.248 . . . . 20.0 111.556 -179.871 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.0 96.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.149 0.499 . . . . 20.0 110.598 177.601 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -77.66 -19.89 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.492 -179.003 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 56' ' ' MET . . . . . 0.517 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 25.8 mmt -70.4 -19.0 63.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.937 -0.574 . . . . 20.0 110.811 179.83 . . . . . . . . 2 2 . 1 . 050 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -64.78 -29.36 70.33 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.641 -0.503 . . . . 20.0 109.641 173.621 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -81.27 154.58 26.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.403 -0.817 . . . . 20.0 108.894 175.257 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -88.89 51.16 2.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.339 0.59 . . . . 20.0 110.539 -177.348 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -160.57 140.63 11.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.186 -0.916 . . . . 20.0 109.022 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.0 t -142.84 176.93 8.69 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.258 -0.275 . . . . 20.0 110.258 -178.656 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -157.2 121.72 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 20.0 109.785 -178.723 . . . . . . . . 1 1 . 1 . 050 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.55 -0.738 . . . . 20.0 109.983 178.705 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 112.076 0.399 . . . . 20.0 112.076 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -63.34 -45.62 90.36 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.001 -0.28 . . . . 20.0 110.731 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -61.76 -41.23 97.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.386 -0.37 . . . . 20.0 110.427 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -60.42 -45.03 95.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.14 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.8 t -59.82 -42.58 93.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.413 -0.358 . . . . 20.0 110.628 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -66.07 -41.09 91.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.486 -0.324 . . . . 20.0 110.955 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -69.55 -49.54 53.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 20.0 111.066 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -47.67 80.72 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.696 0.284 . . . . 20.0 111.45 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -68.76 -43.23 76.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.117 -0.492 . . . . 20.0 111.024 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.28 -45.56 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.685 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HA ' HG12 ' A' ' 29' ' ' VAL . 36.0 ttp-105 -62.68 -33.63 75.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 20.0 111.127 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.8 63.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.103 0.478 . . . . 20.0 110.656 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -76.29 -37.27 57.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.762 -0.654 . . . . 20.0 111.06 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 26' ' ' ARG . 4.9 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.005 0.431 . . . . 20.0 110.853 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.4 p80 . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 112.136 0.421 . . . . 20.0 112.136 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.75 -69.88 0.78 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.704 0.631 . . . . 20.0 112.704 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.4 mm-40 -85.99 -31.51 22.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.971 -0.558 . . . . 20.0 111.433 -170.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.8 t -74.87 -34.35 32.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.452 -0.499 . . . . 20.0 109.77 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.01 -39.1 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.662 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 14.4 ptm180 -67.62 -23.23 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.779 0.323 . . . . 20.0 110.206 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 99.7 mtt180 -78.54 -43.04 27.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.206 -0.452 . . . . 20.0 109.931 176.254 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -34.81 78.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.322 174.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.28 72.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.648 -0.705 . . . . 20.0 111.089 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.53 -41.1 93.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.2 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -65.66 -48.02 73.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.684 . . . . 20.0 110.589 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -64.1 -32.89 74.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.799 0.333 . . . . 20.0 110.774 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.81 72.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 20.0 111.311 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -17.61 59.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 20.0 110.957 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.3 ttt -79.31 -17.51 54.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 20.0 109.858 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 57' ' ' ARG . 45.7 ttp180 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.599 -0.728 . . . . 20.0 109.791 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.969 0.414 . . . . 20.0 110.279 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.613 ' O ' ' HB2' ' A' ' 21' ' ' TYR . 25.9 mp0 -62.3 -28.65 69.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 20.0 110.434 176.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -79.93 -43.43 22.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.991 -0.55 . . . . 20.0 110.159 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.34 -45.72 80.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 20.0 110.527 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 m -81.24 -12.83 59.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 20.0 111.209 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.613 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 35.9 t80 -73.31 -17.1 61.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.57 -0.286 . . . . 20.0 110.93 -176.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 53.4 m-80 -54.44 -31.69 55.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 20.0 110.731 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.08 -35.83 82.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 20.0 111.058 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -76.01 -31.08 58.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.928 0.394 . . . . 20.0 110.375 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.22 -36.91 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.977 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 29.7 mmm180 -63.68 -35.36 80.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.626 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.43 -21.33 42.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.224 -0.444 . . . . 20.0 111.243 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -71.21 -14.23 62.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.024 -0.535 . . . . 20.0 111.378 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.234 0.265 0 CA-C-N 116.691 -0.231 . . . . 20.0 111.204 -179.692 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 N--CA 1.462 0.152 0 N-CA-C 111.796 0.295 . . . . 20.0 111.796 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.44 -38.07 86.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 20.0 110.331 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -68.72 -43.68 75.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.012 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.25 -42.73 94.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 20.0 110.544 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.48 -42.57 98.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.986 -0.552 . . . . 20.0 110.576 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -67.16 -41.34 86.18 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 120.865 -0.334 . . . . 20.0 110.134 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -55.07 -46.11 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.994 -0.548 . . . . 20.0 110.131 -179.109 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.5 mmt -66.12 -39.54 89.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.203 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.02 97.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.106 0.479 . . . . 20.0 110.808 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -76.75 -29.21 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.57 -0.741 . . . . 20.0 110.299 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -75.93 -46.74 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.19 -0.913 . . . . 20.0 111.573 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -71.5 -9.88 58.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 20.0 111.466 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.08 67.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.457 -0.338 . . . . 20.0 110.764 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -67.98 -19.57 64.96 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.131 -0.486 . . . . 20.0 111.147 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 42.5 ttm -67.77 -30.42 69.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.214 0.53 . . . . 20.0 109.863 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.607 -0.724 . . . . 20.0 109.985 177.382 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.557 0.218 . . . . 20.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.94 -45.54 94.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.421 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -64.93 -43.15 93.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.67 -0.696 . . . . 20.0 110.265 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -74.29 -15.15 60.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 20.0 111.326 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.8 m -90.2 -40.97 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.949 0.404 . . . . 20.0 110.067 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -73.4 -35.49 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.872 -0.603 . . . . 20.0 111.795 -174.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -62.66 -32.3 73.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.051 0.453 . . . . 20.0 109.969 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -67.03 -36.67 82.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -73.03 -35.52 66.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.78 -0.645 . . . . 20.0 109.975 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.98 -38.26 90.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.834 -0.621 . . . . 20.0 110.264 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.66 -35.5 67.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.465 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.45 73.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.992 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -63.95 -27.31 69.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.798 -0.637 . . . . 20.0 110.039 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.0 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.804 -0.634 . . . . 20.0 110.531 177.144 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.2 m170 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.983 0.421 . . . . 20.0 109.892 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.66 -25.01 67.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.606 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' OE1' ' HD2' ' A' ' 47' ' ' ARG . 8.2 tp10 -64.32 -35.83 82.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.171 0.51 . . . . 20.0 110.088 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.53 -43.91 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 20.0 110.399 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.2 -35.74 81.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 20.0 109.957 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HD2' ' OE1' ' A' ' 44' ' ' GLU . 44.2 ttm180 -64.29 -37.43 87.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.526 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 48' ' ' ARG . 7.1 tpt180 -71.21 -32.52 68.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.753 0.311 . . . . 20.0 110.501 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.4 mmt -70.38 -25.47 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.524 0.678 . . . . 20.0 109.776 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.27 -6.37 56.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.078 -0.965 . . . . 20.0 111.555 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.485 ' HA ' ' HB3' ' A' ' 54' ' ' ALA . 12.7 pt-20 -47.36 -32.78 5.18 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.508 0.559 . . . . 20.0 112.508 -174.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -58.92 -52.74 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 20.0 111.043 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -77.24 -25.05 51.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.394 0.616 . . . . 20.0 110.236 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -68.96 -15.2 63.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.45 -0.796 . . . . 20.0 111.485 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -63.47 -27.84 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.068 0.461 . . . . 20.0 109.84 175.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.5 mmt -90.9 10.56 25.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.578 -0.737 . . . . 20.0 111.759 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 7.9 ptp85 . . . . . 0 N--CA 1.465 0.28 0 O-C-N 122.281 -0.262 . . . . 20.0 111.481 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.224 -0.266 0 CA-C-O 120.567 0.222 . . . . 20.0 110.697 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -56.48 -35.49 68.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 20.0 110.813 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -72.68 -34.77 67.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.135 0.493 . . . . 20.0 110.632 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -87.77 -25.7 23.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.884 -0.598 . . . . 20.0 111.061 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.3 m -90.07 -11.59 40.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.417 -0.356 . . . . 20.0 111.257 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.39 -35.0 69.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.444 -0.343 . . . . 20.0 110.994 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.582 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 21.7 p30 -62.87 -27.91 69.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.491 -0.322 . . . . 20.0 111.272 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' OE1' ' HD3' ' A' ' 26' ' ' ARG . 7.8 tp10 -74.65 -40.28 61.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.143 0.497 . . . . 20.0 109.722 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -67.37 -26.71 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.248 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.2 tm? -71.0 -37.69 72.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.811 -0.632 . . . . 20.0 109.626 177.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 63.3 mtp180 -66.01 -19.02 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.058 0.456 . . . . 20.0 110.69 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.85 -14.19 62.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.722 -0.672 . . . . 20.0 111.462 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 57.2 pttt -76.36 -19.2 58.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.019 0.438 . . . . 20.0 110.138 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.437 0.637 . . . . 20.0 109.708 178.439 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.705 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 12.7 p-80 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.162 -0.31 . . . . 20.0 110.162 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -60.73 -26.92 67.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.118 -0.492 . . . . 20.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.86 -36.08 79.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.722 -0.672 . . . . 20.0 110.138 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 t -91.29 -27.63 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.401 -0.818 . . . . 20.0 111.388 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.705 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 34.5 mm-40 -50.56 -34.55 26.1 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.04 -0.527 . . . . 20.0 112.198 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -57.08 -30.83 64.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 20.0 111.159 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -91.23 -39.98 11.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.168 0.508 . . . . 20.0 110.186 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.6 mmt -64.72 -40.56 95.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.775 -0.648 . . . . 20.0 111.381 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.26 -28.84 68.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.946 0.403 . . . . 20.0 111.164 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -80.41 -46.01 16.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.649 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 4.8 mmp_? -68.4 -45.49 72.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.068 -0.514 . . . . 20.0 111.156 -177.03 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.557 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 23.7 m-85 -72.36 -19.69 61.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.183 -0.462 . . . . 20.0 111.36 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.67 78.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.094 0.473 . . . . 20.0 110.479 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.88 -28.49 62.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.664 -0.698 . . . . 20.0 110.751 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 63.0 mtt -91.42 6.09 46.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.78 -0.646 . . . . 20.0 111.505 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 63.9 mtp180 . . . . . 0 C--N 1.327 -0.386 0 N-CA-C 112.04 0.385 . . . . 20.0 112.04 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.256 0.55 . . . . 20.0 110.001 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -68.35 -40.48 81.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.55 -0.75 . . . . 20.0 110.217 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -69.63 -25.9 64.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.873 -0.603 . . . . 20.0 111.488 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -38.84 90.27 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.927 -0.309 . . . . 20.0 110.175 175.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.6 m -79.57 -33.27 41.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.06 0.457 . . . . 20.0 110.366 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -66.48 -34.93 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 20.0 109.775 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.08 -37.45 77.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.446 -0.797 . . . . 20.0 111.503 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.41 -40.77 96.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.132 0.491 . . . . 20.0 110.193 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -71.61 -34.75 70.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 20.0 109.934 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD11 ' HD3' ' A' ' 28' ' ' LYS . 25.0 tp -70.09 -11.71 61.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.441 -0.799 . . . . 20.0 111.094 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' O ' HG12 ' A' ' 29' ' ' VAL . 56.8 ttt180 -67.53 -18.09 64.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.108 0.48 . . . . 20.0 110.709 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.46 -23.33 50.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.17 0.51 . . . . 20.0 110.591 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HD3' HD11 ' A' ' 25' ' ' LEU . 56.8 tttm -76.53 -24.31 53.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.716 -0.675 . . . . 20.0 111.013 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 26' ' ' ARG . 9.9 p . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.35 0.595 . . . . 20.0 110.275 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.5 m80 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 111.669 0.248 . . . . 20.0 111.669 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.665 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 15.0 t70 -62.65 -47.3 84.3 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.623 0.249 . . . . 20.0 110.836 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 17.6 tp10 -56.19 -46.39 79.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.87 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.11 -42.9 85.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.097 -0.501 . . . . 20.0 111.02 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -59.73 -39.95 86.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.681 . . . . 20.0 111.494 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 22.2 mmt180 -73.15 -29.95 63.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.794 0.33 . . . . 20.0 110.607 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 92.7 mtt180 -72.56 -42.66 64.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.051 0.453 . . . . 20.0 110.078 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 89.8 mmm -67.71 -27.7 67.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.777 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.89 -41.99 79.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 20.0 111.353 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.06 -28.5 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 20.0 110.621 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -75.94 -44.64 39.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.748 -0.66 . . . . 20.0 109.735 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -67.81 -23.3 65.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.489 -0.778 . . . . 20.0 110.88 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.54 71.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 20.0 111.09 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -84.49 -19.65 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.117 0.484 . . . . 20.0 110.568 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.2 mtp -76.21 -10.54 59.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.969 -0.559 . . . . 20.0 110.351 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.627 176.517 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 CA--C 1.528 0.101 0 N-CA-C 112.265 0.468 . . . . 20.0 112.265 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -68.96 -28.1 66.32 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.729 -0.388 . . . . 20.0 110.819 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -70.65 -43.09 69.89 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.086 -0.709 . . . . 20.0 109.086 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.45 -24.85 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 20.0 110.061 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 m -71.44 -27.43 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.824 -0.625 . . . . 20.0 110.401 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -77.66 -23.29 49.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.536 -0.302 . . . . 20.0 110.654 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.43 -36.67 83.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.552 0.692 . . . . 20.0 109.382 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.7 -41.5 83.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.995 -1.002 . . . . 20.0 110.437 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.479 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 92.0 m95 -68.72 -30.84 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.702 176.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 28' ' ' LYS . 51.0 tp -65.65 -43.32 89.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.367 -0.378 . . . . 20.0 110.229 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -70.56 -25.84 63.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.949 0.404 . . . . 20.0 110.461 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.62 -16.65 60.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 20.0 111.1 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 67.3 mttm -69.36 -10.61 58.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 20.0 111.255 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.158 0.504 . . . . 20.0 110.426 176.44 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.634 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 62.8 m170 . . . . . 0 CA--C 1.518 -0.264 0 N-CA-C 110.356 -0.238 . . . . 20.0 110.356 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -62.72 -29.48 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.517 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.35 -42.24 79.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.798 -0.637 . . . . 20.0 109.752 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.15 -35.86 73.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.194 -0.912 . . . . 20.0 110.596 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 34.7 mt-10 -57.36 -32.77 67.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 20.0 111.684 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -71.14 -25.89 62.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.021 0.439 . . . . 20.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 48' ' ' ARG . 3.3 mmp_? -89.96 -41.27 11.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.414 0.625 . . . . 20.0 110.154 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.594 ' SD ' ' HD3' ' A' ' 52' ' ' ARG . 39.4 tpp -67.14 -18.81 65.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.238 -0.892 . . . . 20.0 110.338 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.47 -38.49 44.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.372 -0.831 . . . . 20.0 111.76 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.7 -37.85 85.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 20.0 111.054 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.594 ' HD3' ' SD ' ' A' ' 49' ' ' MET . 53.4 mtp180 -75.72 -39.42 57.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 20.0 110.329 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -62.33 -44.63 96.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.36 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.95 99.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.17 -0.468 . . . . 20.0 111.398 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -68.01 -33.52 74.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.733 0.301 . . . . 20.0 111.226 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 56.2 ttp -76.47 -38.96 54.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.236 0.541 . . . . 20.0 110.301 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.426 -0.806 . . . . 20.0 110.348 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 N--CA 1.462 0.139 0 N-CA-C 112.362 0.504 . . . . 20.0 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -59.55 -44.96 93.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 20.0 110.783 -175.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -78.56 -37.9 41.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 20.0 110.947 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -64.27 -40.89 96.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.297 -0.411 . . . . 20.0 110.677 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.3 p -72.64 -21.35 61.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.582 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -72.32 -36.86 68.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.524 -0.547 . . . . 20.0 109.524 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -66.1 -39.08 89.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 20.0 109.837 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.72 -36.39 83.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 20.0 109.686 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -67.75 -32.92 73.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 20.0 110.61 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.54 -30.03 69.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.233 0.54 . . . . 20.0 109.999 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -79.99 -24.92 40.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.757 -0.656 . . . . 20.0 110.25 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.26 -15.51 60.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.201 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -72.47 -31.74 65.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.927 -0.768 . . . . 20.0 108.927 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.234 -0.893 . . . . 20.0 110.216 176.299 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 112.332 0.494 . . . . 20.0 112.332 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.43 -41.02 80.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 20.0 110.269 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -79.91 -32.36 40.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.753 -0.658 . . . . 20.0 110.727 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.0 t -55.45 -47.09 78.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.883 0.373 . . . . 20.0 110.258 176.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.75 -45.2 92.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.684 -0.689 . . . . 20.0 110.489 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -60.93 -45.28 95.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.955 -0.566 . . . . 20.0 110.231 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -64.37 -37.5 87.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.029 -0.532 . . . . 20.0 111.057 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 mmt -72.69 -34.57 67.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.539 -0.3 . . . . 20.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.74 92.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.096 0.474 . . . . 20.0 109.924 174.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 21.9 mm-40 -68.03 -30.0 69.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.597 -0.729 . . . . 20.0 110.666 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 56' ' ' MET . 9.9 tpt180 -61.17 -52.63 64.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.659 . . . . 20.0 110.266 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 82.2 t80 -70.27 -30.07 67.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.889 -177.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.81 -66.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.279 -0.419 . . . . 20.0 112.059 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 20.1 pttm -74.76 -43.78 53.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 20.0 111.514 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 66.5 mtt -83.69 12.04 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.48 -0.327 . . . . 20.0 111.332 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 25.5 ttm180 . . . . . 0 C--N 1.332 -0.169 0 CA-C-O 121.454 0.645 . . . . 20.0 109.49 172.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.859 0.362 . . . . 20.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -60.52 -34.29 73.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.903 -0.59 . . . . 20.0 111.273 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.27 -30.96 25.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.067 0.46 . . . . 20.0 110.376 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -68.49 -15.49 63.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.517 -0.765 . . . . 20.0 110.47 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -57.49 -12.0 2.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.79 -0.641 . . . . 20.0 112.109 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -64.05 -25.91 68.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.715 0.293 . . . . 20.0 110.383 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -65.2 -34.61 78.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.28 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.64 -48.2 82.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.583 -0.735 . . . . 20.0 110.515 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -77.23 -25.78 51.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.946 0.403 . . . . 20.0 110.333 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -63.48 -48.12 78.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.057 -0.519 . . . . 20.0 109.85 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.44 ' O ' HG12 ' A' ' 29' ' ' VAL . 39.6 ptt180 -72.52 -11.21 60.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.025 0.441 . . . . 20.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.31 -30.94 25.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.244 0.545 . . . . 20.0 110.14 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -90.8 -15.8 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.659 -0.7 . . . . 20.0 111.358 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 26' ' ' ARG . 5.1 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.413 0.625 . . . . 20.0 109.521 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 35.3 m170 . . . . . 0 CA--C 1.514 -0.405 0 N-CA-C 109.036 -0.727 . . . . 20.0 109.036 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.652 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 13.6 m-20 -56.82 -32.87 66.16 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.168 -0.924 . . . . 20.0 110.706 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.58 -41.68 86.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.557 . . . . 20.0 110.913 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.0 t -70.03 -39.31 77.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.475 0.655 . . . . 20.0 110.285 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 31.1 mt-10 -74.48 -18.89 60.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.135 -0.939 . . . . 20.0 111.32 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 26.8 mmm180 -54.65 -44.23 73.04 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.689 0.28 . . . . 20.0 110.872 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -68.11 -25.2 65.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.01 -0.541 . . . . 20.0 110.704 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 61.1 mtt -81.76 -43.25 18.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.361 0.601 . . . . 20.0 109.459 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.14 -25.2 66.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.251 -0.886 . . . . 20.0 111.293 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 57.2 mm-40 -56.94 -33.87 67.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.472 . . . . 20.0 111.34 177.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.526 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 4.3 mmp_? -92.03 -42.33 10.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.739 0.305 . . . . 20.0 111.679 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -88.03 -51.29 5.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.22 0.452 . . . . 20.0 112.22 -172.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.33 -14.56 58.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.568 -174.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -90.64 -16.51 28.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.842 0.353 . . . . 20.0 110.469 175.872 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.5 tpt -89.06 -61.59 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.38 . . . . 20.0 110.842 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 . . . . . 0 C--N 1.328 -0.368 0 C-N-CA 120.951 -0.3 . . . . 20.0 110.497 179.824 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.605 0.24 . . . . 20.0 110.834 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.2 -30.75 71.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 20.0 111.078 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -77.07 -37.09 55.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.028 0.442 . . . . 20.0 110.458 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -78.26 -30.47 48.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.099 -0.501 . . . . 20.0 110.909 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 p -72.62 -33.8 66.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 20.0 109.975 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -69.69 -37.47 76.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.997 -0.547 . . . . 20.0 109.91 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.533 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 24.8 t-20 -66.84 -37.74 85.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.334 -0.617 . . . . 20.0 109.334 175.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.52 -37.28 86.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.657 -0.701 . . . . 20.0 109.999 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -64.29 -33.48 75.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.393 -0.821 . . . . 20.0 110.09 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -77.61 -36.05 52.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 20.0 109.983 -179.32 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 32.3 mmt180 -60.38 -27.32 67.32 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.574 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.97 -28.21 69.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.989 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -82.69 -34.35 27.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.832 -0.622 . . . . 20.0 110.239 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.913 -0.585 . . . . 20.0 110.695 178.089 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.8 p80 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.857 0.361 . . . . 20.0 110.542 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.75 -32.96 74.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.417 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -67.48 -40.81 85.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.168 0.508 . . . . 20.0 109.925 176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.78 -50.74 57.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.709 -0.678 . . . . 20.0 110.771 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.34 -26.21 64.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.148 -0.478 . . . . 20.0 111.768 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -85.03 -65.32 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.91 0.386 . . . . 20.0 111.025 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 33.4 ttm180 -80.52 -58.58 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.948 -0.569 . . . . 20.0 111.601 -170.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 95.7 mmm -62.17 -35.43 78.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.792 -174.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.59 -43.05 89.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.75 0.309 . . . . 20.0 111.033 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.03 -22.18 62.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.016 0.436 . . . . 20.0 110.325 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 30.0 mmm180 -78.15 -39.37 41.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 20.0 109.857 176.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -64.08 -33.14 75.09 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.168 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.92 80.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.979 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.34 -5.25 48.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.942 -0.572 . . . . 20.0 111.036 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.0 mtp -90.76 -26.15 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 20.0 109.808 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.545 179.117 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 121.254 0.549 . . . . 20.0 110.683 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' O ' ' HD2' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -64.27 -29.7 70.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.498 -0.773 . . . . 20.0 110.161 178.367 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.66 -38.73 62.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.096 -0.502 . . . . 20.0 109.91 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.45 -37.68 85.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.777 -0.647 . . . . 20.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 p -70.69 -44.84 66.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.535 -0.302 . . . . 20.0 110.97 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.434 ' HD2' ' O ' ' A' ' 17' ' ' GLN . 13.2 m-85 -64.71 -33.3 75.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.62 0.247 . . . . 20.0 111.223 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -70.72 -36.34 73.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.883 0.373 . . . . 20.0 110.177 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -60.08 -39.72 87.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.107 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -70.8 -39.55 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 20.0 110.365 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.3 -46.02 91.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 20.0 110.656 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -60.34 -35.74 76.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.532 -0.758 . . . . 20.0 111.109 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.91 -38.19 19.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.305 -0.407 . . . . 20.0 111.53 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.562 ' HD3' ' C ' ' A' ' 28' ' ' LYS . 10.2 tmtt? -70.1 -51.17 33.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.404 . . . . 20.0 110.38 -177.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.355 -178.801 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.573 0.225 . . . . 20.0 110.755 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -68.37 -34.27 75.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 20.0 110.839 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -66.82 -41.38 87.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.982 -0.553 . . . . 20.0 109.885 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.0 t -70.7 -47.35 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.745 . . . . 20.0 110.482 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.94 -41.0 77.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 20.0 111.502 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.5 ttp-105 -60.64 -37.35 81.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.486 . . . . 20.0 110.765 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -85.68 -36.1 20.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.531 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 45.5 tpp -63.22 -38.75 92.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.45 -0.795 . . . . 20.0 110.555 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.67 81.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 20.0 110.943 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.61 -45.23 87.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.532 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.21 -39.08 82.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.737 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -65.57 -33.98 77.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.636 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.82 -30.04 70.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.09 0.472 . . . . 20.0 110.626 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -80.79 -44.97 17.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.214 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.12 -36.32 79.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.674 -0.694 . . . . 20.0 110.99 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.772 -0.649 . . . . 20.0 111.354 -177.026 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 112.012 0.375 . . . . 20.0 112.012 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -90.23 -70.03 0.69 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.086 0.47 . . . . 20.0 111.978 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -90.3 -48.44 7.14 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.115 -172.151 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.86 -14.47 59.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.311 0.485 . . . . 20.0 112.311 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.2 p -73.3 -48.14 36.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.966 0.412 . . . . 20.0 110.848 176.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -91.28 -44.6 9.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.259 -0.428 . . . . 20.0 111.339 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.483 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 12.3 m120 -60.01 -43.74 95.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.407 -0.361 . . . . 20.0 111.459 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.5 -34.67 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.17 0.51 . . . . 20.0 110.605 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -72.28 -29.28 63.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.179 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.67 -49.22 12.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.805 -0.634 . . . . 20.0 110.222 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 81.2 mtp180 -61.59 -38.24 86.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 20.0 111.14 -176.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.29 -20.5 63.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.39 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -82.62 -43.71 16.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.082 -0.508 . . . . 20.0 109.852 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 82.3 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 20.0 110.28 177.037 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.5 m80 . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.543 0.211 . . . . 20.0 111.195 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.97 -33.67 76.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.083 0.468 . . . . 20.0 110.132 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.05 -38.02 64.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.575 -0.739 . . . . 20.0 109.678 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.05 -51.08 73.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.852 -0.613 . . . . 20.0 110.666 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -57.81 -29.39 64.86 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.117 0.484 . . . . 20.0 110.657 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 47' ' ' ARG . 45.1 ttm180 -71.92 -60.44 2.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.772 177.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -65.15 -38.13 89.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.329 . . . . 20.0 111.299 -175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 52.4 tpp -64.04 -29.47 70.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.315 -0.402 . . . . 20.0 110.927 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.08 -51.0 71.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 20.0 111.134 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.06 -27.81 61.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 20.0 110.496 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -64.13 -44.43 92.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 20.0 110.57 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -65.06 -36.4 84.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.521 . . . . 20.0 110.61 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.6 -45.33 53.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 20.0 110.872 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -66.63 -23.61 66.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.673 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.1 ttm -65.93 -31.3 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.912 -0.585 . . . . 20.0 110.281 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.018 175.614 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 N--CA 1.469 0.478 0 N-CA-C 113.492 0.923 . . . . 20.0 113.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.94 -24.33 67.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.767 0.318 . . . . 20.0 111.729 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -90.59 -14.05 33.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.891 0.377 . . . . 20.0 110.489 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.36 -30.66 71.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.445 . . . . 20.0 110.919 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -67.99 -34.14 75.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.147 0.499 . . . . 20.0 110.43 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -73.79 -33.44 64.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 20.0 109.977 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 21.0 m-80 -57.52 -45.44 84.99 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.708 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -59.71 -43.06 94.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.482 -0.327 . . . . 20.0 111.324 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -62.2 -42.07 98.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 20.0 110.275 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.19 -43.39 78.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 20.0 110.131 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 98.6 mtt180 -62.95 -36.3 82.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.158 -0.473 . . . . 20.0 110.94 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.23 -24.97 65.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.152 0.501 . . . . 20.0 110.908 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -90.51 -6.23 55.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.568 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 26' ' ' ARG . 42.0 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.646 -0.252 . . . . 20.0 111.596 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 18.1 p80 . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.701 0.286 . . . . 20.0 110.845 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.31 -36.13 70.71 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.702 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.46 -43.33 88.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.784 -0.644 . . . . 20.0 109.906 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.62 -40.45 84.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.347 -0.842 . . . . 20.0 110.675 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 46.5 mm-40 -55.17 -42.5 73.26 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.848 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -69.76 -40.14 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.569 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -62.01 -39.24 91.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.443 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.2 tpp -78.65 -31.48 46.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.583 -0.735 . . . . 20.0 110.515 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.76 92.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.766 -0.652 . . . . 20.0 112.004 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.37 -23.04 67.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.885 0.374 . . . . 20.0 111.16 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -71.26 -51.93 21.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.15 -0.477 . . . . 20.0 109.721 177.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.488 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 54.7 m-85 -68.83 -27.46 65.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 20.0 111.03 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.42 82.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.731 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -74.18 -28.83 61.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.401 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.7 mtp -78.11 -7.61 57.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 20.0 110.945 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 98.5 mtt180 . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 121.022 0.439 . . . . 20.0 110.26 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 111.655 0.243 . . . . 20.0 111.655 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -61.96 -25.86 67.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.705 0.288 . . . . 20.0 111.497 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -80.23 -33.05 38.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.928 0.394 . . . . 20.0 110.704 -177.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -92.03 -22.29 20.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.197 0.443 . . . . 20.0 112.197 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 p -77.84 -8.88 58.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.238 0.459 . . . . 20.0 112.238 -174.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -46.97 -38.92 11.45 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.329 0.492 . . . . 20.0 112.329 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -87.06 -23.91 24.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 20.0 111.108 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.05 -46.03 25.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.944 -0.571 . . . . 20.0 110.607 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -69.15 -23.27 63.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.2 0.524 . . . . 20.0 109.624 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.7 tp -65.37 -38.06 88.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.794 -0.639 . . . . 20.0 109.465 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -73.93 -32.29 63.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.115 176.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.57 84.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.348 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.4 -40.99 94.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.417 -0.81 . . . . 20.0 109.932 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.771 -0.649 . . . . 20.0 111.264 179.173 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.972 0.415 . . . . 20.0 110.494 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -57.76 -35.65 71.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.33 173.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 35.9 tt0 -65.83 -40.62 91.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.531 -0.758 . . . . 20.0 110.383 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.85 -42.83 97.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.189 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.06 -37.85 86.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.834 -0.621 . . . . 20.0 109.337 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 47' ' ' ARG . 1.8 tpp180 -66.43 -32.18 73.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 20.0 110.897 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 30.0 mmm180 -77.94 -41.81 35.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.155 0.502 . . . . 20.0 110.025 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.7 mmt -76.06 -19.47 58.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 20.0 111.576 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.57 -38.68 72.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 20.0 111.131 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -70.41 -29.14 65.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.761 -0.654 . . . . 20.0 110.341 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -79.3 -29.62 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 20.0 110.336 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 56' ' ' MET . 76.9 t80 -58.02 -31.17 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.674 -0.694 . . . . 20.0 111.173 -176.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.01 86.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 20.0 110.986 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -88.82 -24.72 22.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.102 0.477 . . . . 20.0 110.394 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.472 ' HB3' ' HA ' ' A' ' 53' ' ' PHE . 53.7 tpp -67.74 -24.77 65.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.989 -0.55 . . . . 20.0 110.608 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.032 -0.531 . . . . 20.0 110.532 177.385 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 112.187 0.44 . . . . 20.0 112.187 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -67.09 -35.62 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 20.0 111.326 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -71.94 -15.48 62.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.076 0.465 . . . . 20.0 110.447 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -65.99 -15.05 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.532 176.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -87.18 -20.66 26.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.368 0.604 . . . . 20.0 109.766 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -96.27 -13.79 23.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.421 -0.809 . . . . 20.0 110.366 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -45.6 -24.1 0.31 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.846 -1.07 . . . . 20.0 113.599 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.66 -37.48 68.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 20.0 110.703 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -72.04 -37.08 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 20.0 110.365 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.34 -28.98 62.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.531 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -65.54 -31.91 73.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.18 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.8 72.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.285 0.565 . . . . 20.0 110.038 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -73.22 -27.1 61.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.402 -0.817 . . . . 20.0 110.11 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.048 175.899 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.0 t60 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.239 -0.282 . . . . 20.0 110.239 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.56 -50.51 73.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 20.0 111.146 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.66 -47.73 83.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.373 . . . . 20.0 111.179 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.67 -48.83 81.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.237 -0.438 . . . . 20.0 110.712 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.18 -45.3 85.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.12 -0.491 . . . . 20.0 111.343 -176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -64.74 -33.59 76.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.341 . . . . 20.0 110.812 -176.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -77.18 -35.84 55.54 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.11 -0.495 . . . . 20.0 110.522 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.4 mmt -76.15 -34.22 59.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.045 -0.525 . . . . 20.0 110.558 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.7 -40.44 72.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.052 -0.522 . . . . 20.0 111.26 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.54 -40.43 97.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.801 -0.636 . . . . 20.0 110.114 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -70.71 -44.42 66.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 20.0 110.518 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.605 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 23.9 m-85 -63.6 -30.31 71.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.864 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.97 -31.43 70.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.987 0.422 . . . . 20.0 111.043 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -77.87 -44.26 27.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.038 -0.528 . . . . 20.0 110.958 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 53' ' ' PHE . 26.2 ptm -84.83 -1.67 56.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.856 0.36 . . . . 20.0 111.51 -176.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 43.3 ttp180 . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.921 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.626 0.25 . . . . 20.0 110.611 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.92 -49.04 79.33 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.095 -0.502 . . . . 20.0 111.368 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.95 -31.49 72.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.413 -175.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 95.9 m-20 -90.7 -15.33 30.5 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.841 -0.344 . . . . 20.0 111.687 -178.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -51.1 -53.45 34.04 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.232 0.456 . . . . 20.0 112.232 -176.241 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -71.35 -25.02 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.929 0.395 . . . . 20.0 110.539 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -75.01 -42.8 56.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.09 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 19' ' ' ASN . 13.2 mm-40 -67.92 -39.46 83.54 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.63 -0.507 . . . . 20.0 109.63 178.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -63.98 -38.77 92.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 20.0 110.208 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.0 -26.03 65.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.889 -0.596 . . . . 20.0 111.045 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -90.41 -48.27 7.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.064 0.459 . . . . 20.0 110.644 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.18 -5.08 42.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.871 -0.604 . . . . 20.0 112.308 -173.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -17.16 59.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.643 0.259 . . . . 20.0 111.18 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 20.0 109.896 175.115 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 C--O 1.225 -0.213 0 CA-C-O 120.394 0.14 . . . . 20.0 111.305 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -64.83 -29.94 70.92 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.766 0.284 . . . . 20.0 111.766 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -82.44 -29.93 30.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.832 0.349 . . . . 20.0 110.998 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.48 -50.22 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.031 0.443 . . . . 20.0 110.569 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.76 -40.02 82.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.763 -0.653 . . . . 20.0 111.202 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -66.56 -30.2 70.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.394 . . . . 20.0 111.176 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -90.64 -30.0 17.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.907 0.384 . . . . 20.0 111.184 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 43.8 tpp -90.48 -47.93 7.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.067 -0.515 . . . . 20.0 112.282 -172.417 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.03 -63.68 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.908 0.707 . . . . 20.0 112.908 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.04 -31.73 69.11 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.812 0.339 . . . . 20.0 111.805 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -68.86 -41.32 78.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.916 0.389 . . . . 20.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -77.17 -34.23 56.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.976 0.417 . . . . 20.0 110.345 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.07 70.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.914 -0.584 . . . . 20.0 110.898 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.71 -31.66 70.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.491 . . . . 20.0 110.614 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.5 mtp -78.88 -14.94 58.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.905 -0.588 . . . . 20.0 110.51 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.535 -178.502 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.743 0.306 . . . . 20.0 111.681 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.92 -29.9 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 20.0 110.82 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -71.53 -38.05 71.09 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.386 0.612 . . . . 20.0 109.577 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.92 -33.46 68.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.32 -0.855 . . . . 20.0 110.605 -173.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.1 m -64.25 -33.22 75.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.919 0.39 . . . . 20.0 110.23 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -80.57 -36.02 33.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 20.0 109.98 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -58.14 -47.63 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.943 -0.571 . . . . 20.0 109.674 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.09 -36.99 85.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.784 -0.644 . . . . 20.0 110.479 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -72.67 -46.24 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.366 -0.379 . . . . 20.0 110.995 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.26 -45.6 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 20.0 110.899 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -67.61 -29.74 69.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 20.0 110.939 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.41 -32.33 32.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.085 0.469 . . . . 20.0 110.634 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -73.44 -71.06 0.33 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.742 -0.663 . . . . 20.0 109.916 179.582 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.735 -0.211 . . . . 20.0 111.34 176.653 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 121.1 0.476 . . . . 20.0 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 4.2 m-20 -63.78 -29.6 70.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.938 -0.573 . . . . 20.0 110.198 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.26 -29.52 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.423 0.63 . . . . 20.0 109.682 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.2 t -70.99 -39.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.447 -0.797 . . . . 20.0 109.767 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.99 -42.59 72.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.614 -0.721 . . . . 20.0 109.918 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 27.4 mmt180 -62.88 -40.94 99.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.619 -0.718 . . . . 20.0 110.698 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -67.23 -39.67 86.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.959 -0.564 . . . . 20.0 111.073 -177.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.2 mtm -82.92 -21.47 34.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.394 -0.366 . . . . 20.0 111.412 -176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.32 71.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 20.0 112.137 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.93 -22.82 64.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.525 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.0 mtm105 -87.54 -41.35 13.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.891 0.376 . . . . 20.0 110.205 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -67.9 -10.2 51.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 20.0 111.075 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -59.9 -26.17 65.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.981 176.135 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.42 -35.6 40.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.113 0.482 . . . . 20.0 110.278 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -82.94 -25.27 32.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.575 . . . . 20.0 111.306 -175.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 22.9 ptt180 . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 121.242 0.544 . . . . 20.0 110.375 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HA ' ' ND2' ' A' ' 19' ' ' ASN . 8.4 mm-40 . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.697 0.284 . . . . 20.0 110.921 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -61.9 -30.06 70.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 20.0 110.553 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -91.32 -58.54 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.2 -0.455 . . . . 20.0 111.713 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 16' ' ' GLU . 9.6 p30 -66.71 -20.29 65.94 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.17 0.433 . . . . 20.0 112.17 -168.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.4 m -73.79 -29.71 62.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 20.0 110.461 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -90.38 -36.74 14.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 20.0 110.178 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -66.23 -20.53 66.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.669 -0.696 . . . . 20.0 110.72 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -58.41 -57.09 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.526 -0.306 . . . . 20.0 111.306 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -73.67 -20.11 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.987 0.422 . . . . 20.0 111.01 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -75.86 -27.69 57.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.27 0.557 . . . . 20.0 109.843 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -86.09 -37.41 18.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 20.0 110.11 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.49 -1.04 25.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.571 . . . . 20.0 111.757 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -64.63 -16.56 62.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 20.0 110.815 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 20.0 110.714 178.301 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.7 p80 . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 120.713 0.292 . . . . 20.0 110.595 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -60.27 -32.16 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 20.0 110.977 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.91 -38.85 87.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.389 . . . . 20.0 110.434 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.3 t -68.75 -46.33 79.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.912 -0.585 . . . . 20.0 110.317 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.69 -33.15 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.434 -0.803 . . . . 20.0 110.394 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.634 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 74.7 ttt180 -65.74 -43.93 87.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 20.0 109.855 176.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -59.37 -35.54 74.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.521 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.1 mtt -74.35 -38.94 63.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.868 -0.606 . . . . 20.0 110.227 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.65 71.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 20.0 111.076 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 9.7 mm-40 -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.812 -0.631 . . . . 20.0 110.271 176.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -79.84 -44.87 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 20.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -66.26 -21.85 66.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 20.0 110.749 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.49 72.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 20.0 111.186 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -69.18 -38.15 78.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.097 0.475 . . . . 20.0 110.529 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.2 mtp -80.16 -16.28 55.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.766 -0.652 . . . . 20.0 110.373 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.532 -0.758 . . . . 20.0 110.303 -178.691 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.962 0.411 . . . . 20.0 110.661 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 36.2 tt0 -67.72 -36.06 79.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.964 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.6 -40.16 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 20.0 110.367 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -70.39 -26.75 63.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 20.0 110.708 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -66.83 -35.69 80.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.388 -0.597 . . . . 20.0 109.388 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.415 ' CE2' ' HG2' ' A' ' 17' ' ' GLN . 29.5 m-85 -72.45 -36.56 68.55 Favored 'General case' 0 CA--C 1.523 -0.073 0 CA-C-N 116.364 -0.38 . . . . 20.0 110.03 174.211 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.505 ' HB3' ' SD ' ' A' ' 49' ' ' MET . 93.4 m-20 -58.35 -39.31 79.17 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.984 -0.553 . . . . 20.0 110.957 178.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -63.55 -35.0 79.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.946 0.403 . . . . 20.0 110.492 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -72.77 -40.16 66.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 20.0 110.453 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.2 -39.29 93.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.305 0.574 . . . . 20.0 109.809 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.52 ' O ' HG12 ' A' ' 29' ' ' VAL . 71.6 ttt180 -67.01 -32.72 74.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.301 -0.863 . . . . 20.0 110.705 178.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.11 71.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.824 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -82.27 -24.69 34.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.706 -0.679 . . . . 20.0 111.959 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 26' ' ' ARG . 8.8 p . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.26 0.553 . . . . 20.0 110.632 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 120.787 0.327 . . . . 20.0 111.479 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.98 -23.76 65.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.168 0.509 . . . . 20.0 110.336 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.16 -47.11 12.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 20.0 110.267 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.4 t -64.51 -31.23 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.246 -0.888 . . . . 20.0 110.785 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -46.67 -42.54 16.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.758 -0.655 . . . . 20.0 111.15 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 30.6 ttp180 -77.61 -49.29 14.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.688 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -61.79 -40.67 96.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.934 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' A' ' 22' ' ' ASN . 53.4 ttm -65.93 -38.72 89.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.814 0.34 . . . . 20.0 110.173 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.49 94.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 20.0 110.573 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 55.7 mt-10 -65.61 -45.12 84.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 20.0 110.373 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 56' ' ' MET . 56.4 ttp180 -65.41 -32.69 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 20.0 111.137 -178.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.04 -49.61 75.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.006 0.432 . . . . 20.0 110.395 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.89 -22.21 53.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.49 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -72.08 -23.62 61.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.189 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 92.9 mmm -75.58 -13.32 60.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 20.0 110.361 176.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 20.0 109.599 174.827 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 120.786 0.327 . . . . 20.0 111.502 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -71.37 -12.43 61.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.904 -0.589 . . . . 20.0 110.961 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.46 -48.72 6.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.807 0.337 . . . . 20.0 110.37 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.569 ' HA ' ' HB3' ' A' ' 22' ' ' ASN . 1.1 p-10 -76.01 -15.67 60.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.265 -0.425 . . . . 20.0 112.072 -176.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 p -64.87 -47.39 78.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.01 0.434 . . . . 20.0 110.276 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -80.84 -21.97 40.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.762 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.569 ' HB3' ' HA ' ' A' ' 19' ' ' ASN . 27.9 t-20 -70.22 -23.06 62.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.218 176.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.94 -33.33 74.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.78 -0.645 . . . . 20.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -70.7 -36.91 73.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 20.0 109.712 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.3 -37.5 87.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.966 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -62.47 -39.23 92.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.425 -0.807 . . . . 20.0 110.417 175.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.27 -34.49 70.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 20.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.76 -46.46 82.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.752 -0.658 . . . . 20.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 121.004 0.43 . . . . 20.0 110.713 -179.604 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 CA--C 1.521 -0.159 0 N-CA-C 109.793 -0.447 . . . . 20.0 109.793 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.41 -37.23 85.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.643 -0.708 . . . . 20.0 110.498 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 34.5 tt0 -64.79 -45.75 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.609 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 49' ' ' MET . 47.7 t -65.95 -42.87 92.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.113 -0.494 . . . . 20.0 110.098 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.43 -48.7 79.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.623 -0.717 . . . . 20.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -65.85 -36.38 83.29 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.01 -0.276 . . . . 20.0 110.6 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 21.1 mmm180 -62.1 -40.07 94.6 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 121.259 -0.176 . . . . 20.0 110.718 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 26.4 mmt -57.86 -36.76 72.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 20.0 110.94 178.184 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.19 -52.07 7.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.064 -0.517 . . . . 20.0 111.125 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 53.1 mt-10 -64.84 -33.41 75.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.246 -0.433 . . . . 20.0 111.709 -174.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -61.28 -32.54 72.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.144 0.497 . . . . 20.0 110.296 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -90.06 -41.75 11.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.808 -0.633 . . . . 20.0 110.298 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.35 77.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 20.0 111.796 -177.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 51' ' ' GLU . 5.7 mptp? -61.27 -24.9 66.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.507 -0.315 . . . . 20.0 111.089 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.7 ttp -81.01 -47.14 14.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.882 0.372 . . . . 20.0 110.518 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 20.0 110.765 -177.009 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.462 0.157 0 N-CA-C 112.827 0.677 . . . . 20.0 112.827 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.83 -57.63 9.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.585 0.231 . . . . 20.0 110.962 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -75.83 -31.51 59.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 20.0 110.979 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -75.24 -12.22 60.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.101 -0.499 . . . . 20.0 111.792 -177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.2 p -48.97 -44.34 40.81 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.72 0.295 . . . . 20.0 111.251 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -68.34 -38.88 81.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.004 0.43 . . . . 20.0 110.55 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -64.57 -31.92 73.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.782 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.39 -41.45 97.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.066 0.46 . . . . 20.0 110.051 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -66.09 -38.83 89.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.795 -0.639 . . . . 20.0 110.059 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.6 mt -64.84 -41.95 95.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 20.0 109.969 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.31 -41.91 90.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.654 -0.703 . . . . 20.0 110.268 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.9 -29.32 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 20.0 111.256 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -80.67 -21.18 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.178 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' LEU . 71.7 t . . . . . 0 C--N 1.327 -0.408 0 N-CA-C 111.982 0.364 . . . . 20.0 111.982 -175.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.1 m170 . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 111.735 0.272 . . . . 20.0 111.735 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.23 -23.29 63.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.645 0.26 . . . . 20.0 110.973 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -71.24 -27.51 63.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.474 0.654 . . . . 20.0 109.736 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 49' ' ' MET . 76.3 t -69.59 -44.48 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.477 -0.783 . . . . 20.0 109.703 176.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.05 -33.89 76.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.491 -0.777 . . . . 20.0 110.38 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -60.78 -38.36 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.596 -0.729 . . . . 20.0 110.677 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -78.03 -28.04 48.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 20.0 110.71 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.3 mmt -62.82 -24.92 68.0 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.078 -0.51 . . . . 20.0 111.589 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.79 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 20.0 111.86 -177.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.05 -33.8 74.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.754 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -63.78 -44.6 92.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.287 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -71.54 -34.29 69.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.96 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.26 94.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.913 0.387 . . . . 20.0 110.814 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -72.6 -30.1 64.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.33 -0.395 . . . . 20.0 110.814 178.125 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.7 ttm -75.03 -28.52 60.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.282 -0.417 . . . . 20.0 110.652 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.809 -0.632 . . . . 20.0 110.354 178.121 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 CA--C 1.533 0.3 0 N-CA-C 112.989 0.737 . . . . 20.0 112.989 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -61.45 -36.75 81.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.666 0.269 . . . . 20.0 111.302 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.32 -26.66 56.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.543 0.211 . . . . 20.0 111.027 -178.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -84.06 -15.23 48.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.366 0.603 . . . . 20.0 110.297 177.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.2 t -71.89 -10.55 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.389 -0.823 . . . . 20.0 111.58 -177.781 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -54.11 -30.24 47.95 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 111.906 0.335 . . . . 20.0 111.906 -176.11 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.7 -41.36 97.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 20.0 110.902 178.989 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -83.34 -32.36 26.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.119 0.485 . . . . 20.0 109.994 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -65.78 -35.64 81.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.319 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.3 tm? -63.18 -36.57 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.561 -0.533 . . . . 20.0 109.561 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -60.73 -37.03 80.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.242 0.544 . . . . 20.0 110.232 177.348 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 -28.47 65.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.698 -0.683 . . . . 20.0 110.879 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 1.9 tpmt? -82.78 -27.48 30.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.771 -0.649 . . . . 20.0 110.633 -178.255 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 25' ' ' LEU . 92.8 t . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 110.217 -0.29 . . . . 20.0 110.217 176.334 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.488 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 62.1 t60 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.44 0.162 . . . . 20.0 111.116 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.56 -28.9 64.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.083 0.468 . . . . 20.0 109.978 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 28.5 tt0 -77.93 -32.41 51.59 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.853 -0.612 . . . . 20.0 110.129 179.189 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 49' ' ' MET . 98.1 t -56.88 -49.59 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.819 -0.438 . . . . 20.0 109.819 174.958 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 5.7 mm-40 -57.29 -39.36 75.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.536 -0.757 . . . . 20.0 110.343 177.581 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -67.89 -44.87 76.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.822 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 90.8 mtt180 -60.76 -35.33 76.13 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.106 -179.274 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.9 mmt -57.25 -32.13 66.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 20.0 111.831 -176.746 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.21 91.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.919 0.39 . . . . 20.0 110.83 177.893 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.92 -21.8 40.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.365 0.602 . . . . 20.0 110.127 179.163 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 56' ' ' MET . 57.9 ttt180 -66.12 -22.78 66.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.349 -0.841 . . . . 20.0 111.058 -175.191 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -60.25 -36.2 77.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.023 0.439 . . . . 20.0 110.282 174.859 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.77 -32.56 23.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.048 -0.524 . . . . 20.0 110.01 175.62 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 52' ' ' ARG . 14.7 tppt? -57.34 -37.7 72.97 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.599 -0.728 . . . . 20.0 110.657 178.561 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 24.6 mmt -57.82 -29.21 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 20.0 111.414 -179.528 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.331 -0.395 . . . . 20.0 111.65 -174.184 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 112.244 0.461 . . . . 20.0 112.244 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -73.1 -15.84 61.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.753 0.311 . . . . 20.0 110.826 -177.862 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -80.46 -39.97 27.11 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.815 -0.809 . . . . 20.0 108.815 174.222 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -64.17 -45.4 88.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.418 -0.81 . . . . 20.0 110.667 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 p -67.73 -40.56 84.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.376 -0.375 . . . . 20.0 111.143 -178.668 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -68.03 -35.95 79.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.993 -0.373 . . . . 20.0 109.993 178.584 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -69.81 -32.79 71.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.021 0.438 . . . . 20.0 110.151 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -64.92 -41.15 95.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 20.0 109.72 173.459 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -64.16 -41.87 96.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.617 -0.72 . . . . 20.0 110.08 175.373 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.04 -36.68 80.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.747 -0.66 . . . . 20.0 110.396 178.193 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -60.31 -38.93 85.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.587 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.48 67.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.205 0.526 . . . . 20.0 110.707 178.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -72.98 -43.76 61.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.61 -0.723 . . . . 20.0 110.172 177.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.74 178.142 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.8 p80 . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 111.802 0.297 . . . . 20.0 111.802 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.2 -54.57 45.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.981 0.419 . . . . 20.0 111.394 -176.245 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -68.79 -33.82 74.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.963 -0.562 . . . . 20.0 111.003 -178.296 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.24 -50.3 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.736 -0.468 . . . . 20.0 109.736 176.552 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.29 -41.59 89.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.313 -0.858 . . . . 20.0 110.827 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.58 -55.06 39.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.942 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -67.47 -31.89 72.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.49 -0.323 . . . . 20.0 110.855 -178.463 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 54.2 tpp -67.98 -43.75 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.395 -0.366 . . . . 20.0 110.523 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.23 74.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 20.0 110.668 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.31 -26.42 68.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.969 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -65.12 -32.49 74.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.21 0.529 . . . . 20.0 110.391 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 56' ' ' MET . 73.8 t80 -90.52 -27.62 19.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.769 177.888 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.36 -48.74 11.55 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.295 -0.412 . . . . 20.0 111.786 -177.759 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -80.31 0.1 34.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.256 -0.429 . . . . 20.0 111.946 -172.225 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 4.6 ppp? -80.11 -20.99 43.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.333 -0.617 . . . . 20.0 109.333 173.599 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 57' ' ' ARG . 5.9 tpm_? . . . . . 0 N--CA 1.452 -0.356 0 CA-C-N 115.611 -0.722 . . . . 20.0 110.006 176.882 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 111.756 0.28 . . . . 20.0 111.756 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -70.8 -27.8 64.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.964 0.411 . . . . 20.0 110.251 176.391 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 21' ' ' TYR . 43.1 mt-10 -86.35 -35.08 20.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.049 -0.523 . . . . 20.0 111.494 -172.998 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -78.96 -33.72 44.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.5 -0.48 . . . . 20.0 111.005 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -76.48 -14.06 60.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.149 0.499 . . . . 20.0 110.073 176.313 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.475 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 82.4 t80 -60.51 -29.56 69.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.463 -0.79 . . . . 20.0 110.433 177.601 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -66.33 -36.04 81.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.036 0.446 . . . . 20.0 110.181 176.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.91 -32.77 57.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 20.0 109.977 178.16 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 68.5 t-105 -62.34 -39.06 91.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 20.0 110.342 174.364 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.8 -46.04 89.84 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.131 -0.692 . . . . 20.0 109.131 175.744 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -58.92 -36.48 74.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.86 -0.609 . . . . 20.0 110.59 177.313 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.3 -44.79 90.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 20.0 111.13 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.79 -32.98 71.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.034 -0.53 . . . . 20.0 111.106 -177.758 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 20.0 112.031 -177.133 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.4 m80 . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 111.861 0.319 . . . . 20.0 111.861 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.25 -25.8 66.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 20.0 110.708 -179.661 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -81.87 -45.68 15.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 20.0 110.151 178.053 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -61.42 -53.11 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 20.0 111.379 -176.337 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.07 -27.06 68.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.897 -0.592 . . . . 20.0 111.598 -176.507 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.3 ttp-105 -76.84 -29.11 55.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.086 0.47 . . . . 20.0 110.87 -177.217 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.672 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 2.4 mmp_? -90.62 -29.82 17.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 20.0 111.586 -179.32 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.4 mtt -82.31 -19.2 39.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.569 -0.287 . . . . 20.0 111.662 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.72 -58.72 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.353 0.408 . . . . 20.0 112.004 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.52 -29.27 64.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.219 -0.446 . . . . 20.0 111.518 -177.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -69.39 -32.77 72.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.932 0.396 . . . . 20.0 110.377 -179.334 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.5 -30.67 71.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.336 178.55 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.14 -40.25 82.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.902 -0.59 . . . . 20.0 110.513 177.206 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -71.49 -32.24 68.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.289 177.787 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.1 ttm -62.06 -26.47 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.699 -0.682 . . . . 20.0 110.658 178.436 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.563 177.119 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.612 0.244 . . . . 20.0 110.918 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -58.64 -36.01 73.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.272 -0.422 . . . . 20.0 111.609 -173.072 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -71.94 -45.77 59.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.999 0.428 . . . . 20.0 110.542 -178.091 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -72.09 -30.66 65.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.694 -178.616 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.488 ' HA ' ' HB3' ' A' ' 24' ' ' TRP . 34.6 t -70.54 -20.59 62.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.699 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -81.26 -32.8 33.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.52 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -90.83 -56.32 3.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.306 -0.406 . . . . 20.0 111.612 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -89.99 -56.44 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.527 -170.813 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.488 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 70.1 t-105 -65.43 -19.25 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.331 . . . . 20.0 111.045 -174.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.9 -35.7 61.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.051 0.453 . . . . 20.0 110.309 176.938 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -75.19 -27.46 59.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.56 -0.745 . . . . 20.0 110.881 -178.014 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.15 -24.0 23.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.248 0.546 . . . . 20.0 110.735 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -72.24 -17.95 61.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.546 -178.407 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.466 0.65 . . . . 20.0 110.132 176.982 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 55.0 t-80 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.428 0.156 . . . . 20.0 110.661 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.56 -36.57 78.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.848 177.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.92 -28.75 63.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.268 0.556 . . . . 20.0 110.119 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -76.76 -51.46 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.428 -0.806 . . . . 20.0 110.421 179.021 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 12.0 pt-20 -70.33 -19.06 63.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 20.0 111.448 -177.041 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 4.1 tmt_? -57.19 -33.23 67.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.493 -0.558 . . . . 20.0 109.493 174.306 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -62.54 -44.94 95.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.231 177.577 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 46' ' ' GLU . 1.8 mpt? -66.07 -31.98 73.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 20.0 110.723 -178.95 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.36 75.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.731 176.51 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.07 -20.27 59.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.085 -0.507 . . . . 20.0 110.559 179.566 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -67.97 -39.61 83.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.409 -0.814 . . . . 20.0 110.043 175.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -72.76 -26.44 61.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.405 0.622 . . . . 20.0 109.929 177.747 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.6 -1.53 31.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.447 -0.797 . . . . 20.0 110.892 178.104 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.69 -25.7 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.636 177.273 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.4 mmt -69.23 -15.57 63.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.022 -0.535 . . . . 20.0 111.524 -178.871 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 121.083 0.468 . . . . 20.0 110.234 177.596 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 111.366 0.136 . . . . 20.0 111.366 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -57.68 -43.79 85.34 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.68 0.276 . . . . 20.0 111.362 -177.673 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 31.3 tt0 -66.59 -42.43 86.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.332 0.587 . . . . 20.0 110.315 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -67.22 -26.06 66.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.951 -179.52 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.9 m -61.49 -29.81 70.21 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.015 -0.539 . . . . 20.0 111.881 -175.804 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE2' ' HA ' ' A' ' 18' ' ' GLU . 52.2 p90 -104.93 -33.5 8.34 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.164 -0.614 . . . . 20.0 111.25 177.498 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -66.53 -61.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.982 -0.287 . . . . 20.0 111.703 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 23' ' ' GLU . 4.4 mm-40 -68.27 -34.35 76.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.232 . . . . 20.0 111.171 -176.744 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.86 -56.88 15.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 20.0 110.117 179.007 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.03 -42.8 96.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.349 -179.003 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -60.77 -33.69 73.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 20.0 111.04 -178.384 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.84 97.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.807 0.337 . . . . 20.0 111.338 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -78.2 -33.22 50.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.737 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.411 -0.359 . . . . 20.0 111.114 178.462 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 . . . . . 0 N--CA 1.464 0.255 0 N-CA-C 112.05 0.389 . . . . 20.0 112.05 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.13 -41.59 70.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.63 0.253 . . . . 20.0 110.659 177.424 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.4 -29.34 63.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.067 0.461 . . . . 20.0 110.088 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 49' ' ' MET . 90.4 t -62.97 -47.67 91.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.557 . . . . 20.0 110.367 176.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 40.7 mt-10 -76.44 -19.65 57.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.368 -0.378 . . . . 20.0 111.581 -179.461 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -85.19 -67.92 0.76 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.973 0.416 . . . . 20.0 111.197 176.484 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -83.5 -47.97 10.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 20.0 111.44 -172.832 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 95.4 mmm -72.92 -17.56 61.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.35 -0.386 . . . . 20.0 111.74 -174.26 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . -47.32 -40.89 18.15 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.675 0.62 . . . . 20.0 112.675 -178.781 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.84 -29.9 69.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.122 0.487 . . . . 20.0 110.933 -177.869 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -91.12 -26.95 18.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.923 -0.58 . . . . 20.0 110.383 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.02 -27.52 69.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.711 . . . . 20.0 110.237 178.54 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 -21.47 65.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.8 176.257 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -87.8 -36.17 17.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.302 177.086 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 48.6 tpp -78.43 -36.78 45.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.025 -0.534 . . . . 20.0 111.229 -177.154 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HA ' ' NE ' ' A' ' 57' ' ' ARG . 6.2 tpm_? . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.26 0.552 . . . . 20.0 110.314 -179.401 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 CA--C 1.536 0.425 0 CA-C-O 121.006 0.432 . . . . 20.0 110.701 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -37.32 81.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.471 0.653 . . . . 20.0 109.445 175.77 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' HD2' ' A' ' 21' ' ' TYR . 35.8 mt-10 -73.98 -16.1 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.39 0.614 . . . . 20.0 110.283 -178.94 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -85.83 -17.03 36.82 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.491 -0.777 . . . . 20.0 109.456 176.577 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -65.92 -19.57 65.92 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.862 -0.608 . . . . 20.0 111.16 -179.031 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.432 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 97.5 m-85 -64.16 -27.95 69.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.155 0.502 . . . . 20.0 109.904 175.779 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -73.47 -34.03 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 20.0 109.884 175.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -71.13 -44.45 65.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.558 -0.746 . . . . 20.0 109.696 179.68 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -67.25 -17.69 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.652 -0.703 . . . . 20.0 111.148 178.902 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 tt -57.64 -41.92 82.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.301 178.84 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.463 ' H ' ' HD2' ' A' ' 26' ' ' ARG . 3.0 mpt_? -68.9 -28.84 67.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.318 0.58 . . . . 20.0 109.724 179.314 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.93 -0.07 26.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.469 -0.787 . . . . 20.0 111.347 -178.926 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -87.04 -25.08 24.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.062 0.458 . . . . 20.0 109.941 175.84 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 121.249 0.547 . . . . 20.0 110.147 177.395 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 CA--C 1.522 -0.116 0 N-CA-C 111.92 0.341 . . . . 20.0 111.92 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.672 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 28.5 t70 -63.87 -42.34 97.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 20.0 110.221 -178.924 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -56.16 -43.45 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.8 -0.637 . . . . 20.0 111.229 178.182 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.87 -42.15 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.46 -178.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.72 -35.43 76.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 20.0 110.447 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 25.6 mmt180 -58.84 -45.35 90.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 20.0 110.922 179.361 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.4 -38.04 89.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.974 0.416 . . . . 20.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.7 mtt -69.84 -41.47 74.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.237 179.045 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.41 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.609 -0.723 . . . . 20.0 111.251 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 43.1 mt-10 -63.24 -26.38 68.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.048 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -78.35 -47.18 18.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.218 -0.446 . . . . 20.0 109.942 176.813 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.485 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 36.5 m-85 -67.05 -34.45 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 20.0 111.029 -179.05 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.67 92.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.369 -0.378 . . . . 20.0 111.173 179.49 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -68.12 -26.04 65.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.216 0.531 . . . . 20.0 110.307 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.8 ttp -70.3 -17.49 63.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.64 -0.709 . . . . 20.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 53' ' ' PHE . 2.8 mpt_? . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.334 176.108 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.129 0.49 . . . . 20.0 110.147 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.28 -37.11 81.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.488 -0.778 . . . . 20.0 110.903 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.87 -38.39 88.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 20.0 110.292 -178.984 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -68.01 -31.36 70.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.756 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -71.52 -37.8 71.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.158 0.504 . . . . 20.0 109.807 175.289 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.509 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 83.6 t80 -67.34 -36.1 80.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.027 178.355 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.404 ' HA ' HD12 ' A' ' 25' ' ' LEU . 25.2 t-20 -58.81 -33.68 70.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.451 -0.795 . . . . 20.0 111.192 178.713 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.77 -34.46 78.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.307 -0.406 . . . . 20.0 110.751 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 16.7 m0 -76.66 -22.55 53.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.141 -0.482 . . . . 20.0 110.796 -179.708 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 22' ' ' ASN . 91.5 mt -66.37 -22.04 66.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 20.0 110.956 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -65.3 -19.85 66.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 20.0 110.739 178.289 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.99 -15.37 32.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 20.0 111.196 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -74.43 -34.76 63.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.708 -176.847 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.352 0.596 . . . . 20.0 110.516 178.992 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 11.3 p-80 . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 120.622 0.249 . . . . 20.0 110.697 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -68.24 -22.2 64.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.381 -0.372 . . . . 20.0 110.906 177.194 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 10.4 mm-40 -70.96 -40.54 71.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.36 -0.607 . . . . 20.0 109.36 174.859 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.53 -35.09 71.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.424 -0.807 . . . . 20.0 110.212 177.359 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 14.7 mm-40 -57.79 -44.38 86.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 20.0 110.959 178.105 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.606 ' HA ' ' HB2' ' A' ' 51' ' ' GLU . 18.2 ptt180 -80.77 -19.18 45.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.346 -0.541 . . . . 20.0 111.442 -177.664 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 2.7 mmp_? -60.2 -53.36 58.63 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.72 -0.474 . . . . 20.0 109.72 173.1 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.402 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 22.6 ptp -92.13 -53.73 4.13 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.052 0.76 . . . . 20.0 113.052 -177.449 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 49' ' ' MET . . . -91.87 -65.18 1.03 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.297 0.851 . . . . 20.0 113.297 -169.649 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . 28.9 mt-10 -62.45 -17.01 58.44 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.104 0.409 . . . . 20.0 112.104 -169.877 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HD3' ' O ' ' A' ' 48' ' ' ARG . 34.4 ptt180 -54.22 -27.91 37.67 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.697 0.284 . . . . 20.0 110.713 175.084 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' O ' ' HG3' ' A' ' 56' ' ' MET . 33.0 t80 -63.39 -44.02 95.92 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.983 -0.377 . . . . 20.0 109.983 176.843 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.14 -37.26 83.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.283 0.564 . . . . 20.0 109.98 175.653 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.23 -39.73 87.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.223 -0.898 . . . . 20.0 111.299 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.609 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 5.5 ppp? -78.28 -21.1 50.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.739 0.304 . . . . 20.0 110.943 -179.675 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 84.6 mtp180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 20.0 110.69 178.621 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 111.792 0.293 . . . . 20.0 111.792 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 20' ' ' SER . 15.8 mm100 -67.33 -15.51 63.73 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.044 0.387 . . . . 20.0 112.044 -175.82 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -67.55 -47.66 69.2 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.763 -0.458 . . . . 20.0 109.763 177.434 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -86.49 -29.14 22.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.998 -0.547 . . . . 20.0 110.89 179.139 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 17' ' ' GLN . 19.2 m -70.8 -17.06 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.707 -0.224 . . . . 20.0 110.992 179.627 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -66.24 -37.44 85.53 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.541 -0.54 . . . . 20.0 109.541 174.684 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.6 t-20 -61.25 -43.78 98.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.783 -0.644 . . . . 20.0 109.602 175.784 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -64.38 -53.97 40.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.807 -0.633 . . . . 20.0 110.822 177.498 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.462 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 54.5 t90 -61.67 -38.12 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 20.0 111.635 -175.764 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.97 -44.55 97.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 20.0 110.998 -177.062 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 18.3 ptt180 -85.88 -9.85 56.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.004 0.43 . . . . 20.0 111.057 179.377 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.92 -6.29 58.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.825 176.233 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 29.3 mtpp -65.43 -17.85 64.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 20.0 111.092 178.895 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.305 0.574 . . . . 20.0 110.354 177.912 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 121.205 0.526 . . . . 20.0 110.114 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.565 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 15.9 m-20 -67.16 -23.08 65.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.421 -0.809 . . . . 20.0 110.166 175.134 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.42 -37.72 84.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.683 -0.69 . . . . 20.0 110.4 -179.643 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.71 -42.78 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.705 -0.68 . . . . 20.0 110.193 177.767 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -63.45 -37.61 87.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 20.0 110.622 179.136 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 42.1 mtp-105 -62.2 -47.82 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.952 0.406 . . . . 20.0 110.397 178.623 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -71.5 -33.19 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 20.0 110.917 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 46.4 tpp -68.22 -34.52 76.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.182 0.515 . . . . 20.0 109.706 177.775 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.53 96.01 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.826 -0.624 . . . . 20.0 110.218 174.378 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.21 -46.8 88.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.633 . . . . 20.0 110.073 175.919 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.58 -49.81 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.317 -0.856 . . . . 20.0 110.471 -177.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.33 -40.6 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 20.0 111.143 -178.662 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.76 -53.15 36.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.986 -0.552 . . . . 20.0 111.742 -176.647 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -80.69 -12.13 59.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.518 -0.31 . . . . 20.0 111.706 -174.583 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.4 ttp -62.7 -43.84 97.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.013 0.435 . . . . 20.0 110.388 177.66 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.772 -0.649 . . . . 20.0 109.937 176.703 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.784 0.326 . . . . 20.0 111.08 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.64 -39.03 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 20.0 111.142 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -78.13 -29.08 48.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.264 0.554 . . . . 20.0 109.932 -179.27 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -64.12 -25.21 67.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.64 -0.709 . . . . 20.0 111.337 -179.144 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.0 p -61.2 -48.16 82.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.859 0.362 . . . . 20.0 110.026 -179.77 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -59.28 -37.83 78.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.221 178.316 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -67.11 -43.94 81.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.453 -0.794 . . . . 20.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -68.1 -42.85 79.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.106 -177.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -67.11 -28.05 67.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 20.0 110.855 177.907 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 58.7 tp -74.13 -36.06 64.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.195 0.521 . . . . 20.0 109.79 176.68 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.461 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 3.1 tmt_? -74.44 -31.99 62.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.779 -0.646 . . . . 20.0 109.798 178.96 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.87 92.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.918 -0.583 . . . . 20.0 112.073 -178.188 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -72.72 -20.57 61.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 20.0 110.556 -178.832 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.024 176.654 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.453 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 13.9 p-80 . . . . . 0 C--O 1.227 -0.086 0 CA-C-O 120.624 0.249 . . . . 20.0 110.692 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -62.35 -39.72 94.04 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.09 0.471 . . . . 20.0 110.12 175.275 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -73.69 -37.98 65.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.476 -0.784 . . . . 20.0 110.234 -178.648 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.28 -42.1 86.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.245 179.11 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 48.8 mt-10 -58.11 -44.5 87.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.206 0.527 . . . . 20.0 110.963 176.818 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -74.32 -31.37 62.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.548 -177.003 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -74.43 -43.05 57.99 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.747 -0.66 . . . . 20.0 109.973 178.626 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.8 tpp -68.68 -24.12 64.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.707 -178.147 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -57.57 -32.81 67.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 20.0 110.958 176.809 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.56 -23.34 53.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.039 178.493 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -81.4 -19.04 43.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.133 0.492 . . . . 20.0 109.896 179.322 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.496 ' O ' ' HG2' ' A' ' 56' ' ' MET . 20.9 m-85 -73.6 -9.32 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.83 -0.623 . . . . 20.0 111.055 177.614 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.43 -15.26 10.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 20.0 112.065 -178.679 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -63.89 -17.34 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 20.0 111.261 178.381 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 25.2 ptt? -71.31 7.05 1.44 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.156 0.503 . . . . 20.0 111.257 178.927 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 109.137 -0.69 . . . . 20.0 109.137 171.856 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.762 0.315 . . . . 20.0 111.715 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.98 -24.59 66.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.469 -0.332 . . . . 20.0 110.627 178.441 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -70.68 -7.09 42.0 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.358 0.599 . . . . 20.0 110.142 -178.84 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -67.62 -22.59 65.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.93 -0.396 . . . . 20.0 109.93 174.013 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' ' HD1' ' A' ' 24' ' ' TRP . 14.3 t -70.45 -20.79 62.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 20.0 109.926 178.757 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.477 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 92.4 t80 -59.96 -32.2 70.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.267 176.93 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.02 -30.87 71.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.791 -0.64 . . . . 20.0 110.555 178.882 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.07 -42.13 89.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 20.0 110.045 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.438 ' HD1' ' O ' ' A' ' 20' ' ' SER . 58.0 m95 -66.82 -25.14 66.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.817 -0.629 . . . . 20.0 110.532 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 21' ' ' TYR . 84.4 mt -75.81 -47.69 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.979 -0.555 . . . . 20.0 110.038 176.427 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -65.91 -29.58 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 20.0 111.083 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.98 96.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.131 0.491 . . . . 20.0 110.398 175.295 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -71.68 -39.05 70.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.615 -0.72 . . . . 20.0 110.83 178.823 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 25' ' ' LEU . 84.4 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.011 0.434 . . . . 20.0 111.03 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.6 m170 . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 120.525 0.202 . . . . 20.0 110.98 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.05 -26.97 64.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.855 0.359 . . . . 20.0 110.138 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -75.22 -33.85 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.241 0.544 . . . . 20.0 110.683 176.586 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 49' ' ' MET . 60.4 t -74.15 -44.59 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.8 -0.636 . . . . 20.0 110.295 179.128 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.47 -42.89 99.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.497 -0.774 . . . . 20.0 111.424 -178.61 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -69.07 -22.42 64.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 20.0 110.837 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -81.15 -29.64 34.66 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.499 -0.556 . . . . 20.0 109.499 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.3 mmt -66.13 -28.46 68.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.657 -0.701 . . . . 20.0 110.266 175.595 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.37 90.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.767 177.38 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -67.08 -34.13 77.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 20.0 110.467 177.816 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.43 -33.19 73.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.993 -0.548 . . . . 20.0 110.781 178.673 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -62.08 -32.9 73.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.148 0.499 . . . . 20.0 110.497 177.694 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.9 -33.38 75.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.939 -0.573 . . . . 20.0 110.374 177.351 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -83.67 -22.31 32.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.309 177.083 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -65.07 -46.81 79.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 20.0 109.547 174.439 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 . . . . . 0 C--N 1.33 -0.248 0 N-CA-C 109.518 -0.549 . . . . 20.0 109.518 176.787 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.77 0.319 . . . . 20.0 110.604 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.28 -45.03 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 20.0 110.239 -179.089 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.48 -36.26 83.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.511 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -68.07 -37.03 80.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.47 176.015 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -67.96 -21.94 65.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.146 0.498 . . . . 20.0 110.549 178.158 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -85.65 -41.91 14.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.93 -0.577 . . . . 20.0 109.872 177.762 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.71 -37.39 84.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 20.0 111.195 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.79 -34.46 77.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.903 0.382 . . . . 20.0 110.274 179.08 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -67.75 -40.48 84.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.989 -0.551 . . . . 20.0 109.993 176.466 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.57 -31.37 72.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.26 0.552 . . . . 20.0 110.425 177.712 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -76.58 -29.55 56.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.69 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.62 -31.69 20.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.569 -177.813 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -69.73 -69.56 0.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.423 -0.353 . . . . 20.0 110.654 -178.537 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 C--N 1.326 -0.419 0 C-N-CA 120.857 -0.337 . . . . 20.0 110.695 177.365 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.857 0.36 . . . . 20.0 110.475 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.45 -35.1 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.398 178.862 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -66.74 -46.67 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.638 -0.71 . . . . 20.0 109.895 178.587 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.16 -49.05 84.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.48 -0.782 . . . . 20.0 110.706 -179.666 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.41 -35.85 80.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.887 -176.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 47' ' ' ARG . 1.3 tpm_? -62.6 -48.97 77.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.959 -0.564 . . . . 20.0 110.153 178.693 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -73.58 -26.56 60.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 20.0 110.638 -179.677 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.41 ' HA ' ' HB3' ' A' ' 52' ' ' ARG . 49.4 tpp -64.57 -35.73 81.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.578 . . . . 20.0 111.021 -179.449 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.07 84.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.068 0.461 . . . . 20.0 110.663 178.625 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.49 -22.13 28.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 20.0 110.29 178.092 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HB3' ' HA ' ' A' ' 49' ' ' MET . 26.0 tpt180 -64.43 -33.79 76.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 20.0 110.056 177.361 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -56.4 -39.71 73.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.362 177.462 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.24 -30.64 54.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.013 -0.54 . . . . 20.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -78.28 -28.18 47.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.167 0.508 . . . . 20.0 110.724 -178.492 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.5 tpt -89.94 10.0 25.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.322 0.582 . . . . 20.0 110.39 -179.808 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.295 179.195 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.98 0.419 . . . . 20.0 110.444 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.25 -43.18 98.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.309 179.68 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.92 -41.48 97.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.945 -0.571 . . . . 20.0 110.468 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -65.82 -30.09 70.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 20.0 110.554 177.259 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 m -69.34 -41.25 76.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.099 -0.501 . . . . 20.0 109.936 176.914 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -61.82 -43.27 99.18 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.514 -0.312 . . . . 20.0 110.369 176.921 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.1 -35.58 77.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 20.0 110.421 177.127 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -68.11 -37.72 81.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.294 -179.064 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -71.4 -33.53 69.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 20.0 110.588 177.008 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.54 -41.12 96.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.339 0.59 . . . . 20.0 109.462 174.773 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -61.36 -41.38 96.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.167 -0.924 . . . . 20.0 110.427 176.083 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.08 79.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -69.0 -52.09 32.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.803 179.137 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 20.0 111.476 -175.734 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.523 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 14.5 t-80 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.387 0.137 . . . . 20.0 110.975 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -62.31 -40.57 96.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.471 -0.332 . . . . 20.0 110.935 -179.205 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 59.2 mm-40 -62.9 -44.21 96.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.016 176.824 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.9 t -57.08 -50.9 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.81 179.541 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 35.0 mt-10 -60.36 -46.37 90.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.334 -0.393 . . . . 20.0 111.469 -177.335 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -69.38 -44.68 71.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.228 -0.442 . . . . 20.0 111.24 -177.771 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 44' ' ' GLU . 2.7 mpt_? -74.64 -28.26 60.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.331 -0.395 . . . . 20.0 111.307 -176.492 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.436 ' HA ' ' HB2' ' A' ' 53' ' ' PHE . 45.3 ttm -65.44 -38.04 88.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.257 0.551 . . . . 20.0 110.213 177.355 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.73 -51.97 14.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.405 -0.816 . . . . 20.0 111.275 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.93 -66.08 0.96 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.044 0.387 . . . . 20.0 112.044 -174.178 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -64.6 -61.84 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.566 0.58 . . . . 20.0 112.566 -172.088 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 56' ' ' MET . 46.7 m-85 -60.27 -35.29 75.19 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.221 0.452 . . . . 20.0 112.221 -172.248 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.61 80.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.848 0.356 . . . . 20.0 111.001 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -76.74 -31.14 56.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.9 0.381 . . . . 20.0 110.351 179.574 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.462 ' HB3' ' HA ' ' A' ' 53' ' ' PHE . 21.8 ttt -60.88 -39.19 88.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 20.0 110.964 177.837 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.396 . . . . 20.0 110.372 177.252 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 112.126 0.417 . . . . 20.0 112.126 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.32 -27.49 68.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.937 0.347 . . . . 20.0 111.937 -174.005 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -74.11 -46.66 41.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.006 0.432 . . . . 20.0 109.849 178.499 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -68.14 -35.57 78.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.565 179.558 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.1 m -63.98 -34.51 78.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.673 178.55 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.07 -32.67 70.86 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.758 -0.46 . . . . 20.0 109.758 179.246 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -69.83 -32.45 70.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 20.0 109.924 177.464 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.51 -35.68 78.39 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.209 -0.451 . . . . 20.0 110.441 175.127 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.504 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 11.8 m95 -71.02 -35.4 72.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.072 -0.513 . . . . 20.0 110.334 176.466 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -40.35 85.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.342 0.591 . . . . 20.0 109.564 178.239 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -66.71 -27.47 67.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.688 177.779 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.5 0.05 44.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 20.0 111.388 -178.621 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 68.1 mttm -86.93 -11.95 49.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 20.0 110.957 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.037 -0.529 . . . . 20.0 109.758 176.428 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 . . . . . 0 CA--C 1.522 -0.126 0 N-CA-C 111.644 0.239 . . . . 20.0 111.644 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.47 -35.24 77.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.982 0.42 . . . . 20.0 110.738 -178.949 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -79.21 -39.07 34.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.023 -0.535 . . . . 20.0 110.434 178.945 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.12 -51.61 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 20.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -60.42 -26.24 66.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.47 . . . . 20.0 111.235 179.919 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -80.57 -50.08 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.163 -0.471 . . . . 20.0 110.801 -179.122 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 75.9 ttt180 -75.11 -40.42 59.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 20.0 111.046 -176.162 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.5 ttm -62.91 -26.64 68.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 20.0 110.441 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.15 78.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.619 176.004 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -84.3 -27.08 28.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.741 -0.663 . . . . 20.0 109.567 179.519 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 31.1 mmm180 -76.43 -19.13 58.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.274 -0.875 . . . . 20.0 110.58 179.378 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -46.86 -46.53 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.445 0.698 . . . . 20.0 112.313 -174.798 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.71 -48.2 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.761 0.315 . . . . 20.0 111.377 -178.463 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -71.29 -26.13 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.302 0.573 . . . . 20.0 110.847 -177.738 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.3 ttt -68.25 -43.04 78.74 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.294 -0.866 . . . . 20.0 110.843 178.886 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.989 -0.55 . . . . 20.0 111.043 -174.838 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.828 0.347 . . . . 20.0 111.486 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.48 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -68.94 -39.08 79.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.296 -0.411 . . . . 20.0 110.884 -176.542 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.52 -40.36 73.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.545 -0.298 . . . . 20.0 111.124 -175.799 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -70.61 -27.98 64.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.329 -0.248 . . . . 20.0 110.329 179.738 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.7 m -64.85 -39.48 93.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.977 0.417 . . . . 20.0 110.603 178.075 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.48 ' HD1' ' O ' ' A' ' 17' ' ' GLN . 62.0 m-85 -78.65 -24.4 45.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.464 176.955 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -72.77 -48.07 41.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.094 -0.503 . . . . 20.0 110.425 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 24' ' ' TRP . 9.3 pt-20 -61.62 -41.12 97.03 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.076 0.465 . . . . 20.0 110.339 177.434 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.431 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 67.9 t-105 -65.33 -37.58 87.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.692 -0.685 . . . . 20.0 110.665 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 29' ' ' VAL . 34.0 tp -66.52 -40.7 89.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.365 -0.379 . . . . 20.0 110.168 179.13 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -59.52 -42.75 92.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.599 177.244 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.59 77.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.929 179.268 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -78.03 -51.63 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 20.0 111.344 -178.867 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 25' ' ' LEU . 9.2 p . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 112.06 0.393 . . . . 20.0 112.06 -171.884 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.85 0.357 . . . . 20.0 110.752 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.05 -28.21 62.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.402 -179.72 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 34.3 tt0 -77.99 -36.71 48.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.005 -0.543 . . . . 20.0 110.364 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.7 t -75.43 -48.22 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 20.0 110.717 179.255 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -59.72 -34.92 73.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 20.0 111.762 -174.809 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 19.7 ptp180 -66.45 -33.96 76.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.794 0.33 . . . . 20.0 110.613 -179.077 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -85.95 -32.52 21.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.241 0.543 . . . . 20.0 110.09 178.942 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.7 tpp -66.58 -30.45 70.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.378 -0.828 . . . . 20.0 110.513 -179.272 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.25 78.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.778 -0.646 . . . . 20.0 111.323 177.794 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.41 -35.24 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.371 179.698 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -60.09 -45.66 92.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.852 -0.613 . . . . 20.0 110.406 178.317 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.27 -40.57 96.68 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.854 -0.612 . . . . 20.0 110.43 178.574 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.69 90.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.096 -0.502 . . . . 20.0 111.263 -178.729 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 10.9 mmpt? -71.14 -33.75 70.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.59 -178.053 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 ptm -84.74 -15.53 44.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.04 0.448 . . . . 20.0 110.579 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.554 . . . . 20.0 110.624 179.841 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 N--CA 1.463 0.213 0 N-CA-C 112.324 0.491 . . . . 20.0 112.324 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -77.34 -15.88 59.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.463 0.542 . . . . 20.0 112.463 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.81 0.62 50.17 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.744 -0.383 . . . . 20.0 110.59 -178.335 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.45 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 5.5 p30 -61.21 -32.27 72.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 20.0 110.224 -178.963 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 p -72.82 -27.38 61.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.876 -0.602 . . . . 20.0 111.289 -177.326 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.47 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 77.5 t80 -62.36 -43.29 99.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.604 -178.451 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -69.56 -31.76 70.14 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.417 -0.586 . . . . 20.0 109.417 178.83 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 19' ' ' ASN . 31.6 mm-40 -63.5 -42.9 98.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.815 -0.63 . . . . 20.0 110.496 177.47 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.47 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 17.4 m0 -66.25 -35.55 80.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.681 179.113 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.63 -38.66 80.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 20.0 110.355 178.129 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -62.8 -27.63 69.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.794 179.241 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.31 -30.62 17.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 20.0 111.244 179.126 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -67.11 -26.15 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.88 -0.6 . . . . 20.0 111.342 -176.146 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.304 0.573 . . . . 20.0 110.683 179.887 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 p80 . . . . . 0 C--O 1.232 0.156 0 N-CA-C 109.741 -0.466 . . . . 20.0 109.741 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -60.94 -24.04 65.75 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.744 -0.662 . . . . 20.0 110.914 177.342 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.77 -44.04 85.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 20.0 110.81 178.312 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.2 t -68.5 -44.99 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 20.0 110.529 -179.428 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.45 -41.72 98.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.726 -0.67 . . . . 20.0 110.394 -178.522 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -64.44 -35.8 82.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.223 0.535 . . . . 20.0 110.451 178.377 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -72.37 -39.26 68.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.482 -0.781 . . . . 20.0 110.743 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 42.3 tpp -76.74 -40.93 46.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.839 -177.438 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.44 62.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 20.0 111.72 -177.402 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -54.41 -35.29 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.127 -0.488 . . . . 20.0 111.501 -178.36 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -84.98 -26.94 26.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.865 0.364 . . . . 20.0 111.267 -177.703 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -85.43 -42.83 14.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.475 -0.33 . . . . 20.0 111.251 -176.859 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.99 79.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.02 -0.536 . . . . 20.0 111.652 -175.137 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.73 -33.77 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.407 -0.36 . . . . 20.0 111.273 -178.203 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 58.8 ttp -70.29 -35.19 73.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 20.0 110.371 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.555 . . . . 20.0 110.822 179.405 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.619 0.247 . . . . 20.0 111.351 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -74.93 -34.82 62.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.423 -178.208 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -79.33 -28.09 42.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.203 0.525 . . . . 20.0 109.697 -178.844 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -70.4 -17.27 63.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 20.0 110.686 174.531 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -69.64 -25.7 64.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.223 0.535 . . . . 20.0 109.606 176.024 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.478 ' HA ' ' HB3' ' A' ' 24' ' ' TRP . 54.2 m-85 -72.42 -18.24 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.4 177.504 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -70.78 -39.88 72.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.229 -0.656 . . . . 20.0 109.229 176.064 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -36.51 65.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.064 175.366 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.478 ' HB3' ' HA ' ' A' ' 21' ' ' TYR . 67.0 t-105 -59.91 -28.86 67.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.758 -0.655 . . . . 20.0 110.713 175.984 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 25' ' ' LEU . 3.0 tm? -58.93 -38.59 79.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.795 -0.446 . . . . 20.0 109.795 177.141 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -77.97 -21.19 51.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.822 -178.527 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.98 -36.07 16.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.209 -0.451 . . . . 20.0 111.131 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.41 -37.66 84.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.823 -0.626 . . . . 20.0 111.026 -177.358 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.085 0.469 . . . . 20.0 110.908 179.751 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 p80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.117 0.484 . . . . 20.0 109.908 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.59 -35.79 75.0 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.61 -0.723 . . . . 20.0 110.272 176.404 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -56.96 -40.92 77.37 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.537 0.684 . . . . 20.0 110.065 177.288 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.7 t -71.79 -56.28 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.057 -0.974 . . . . 20.0 110.604 -178.934 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.76 -35.25 68.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.919 -0.582 . . . . 20.0 111.441 -177.944 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 14.1 ttm180 -63.08 -51.27 67.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 20.0 111.401 -178.57 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -77.47 -36.46 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.154 -175.418 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -39.16 89.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.586 -0.279 . . . . 20.0 110.551 176.323 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.26 -37.5 80.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 20.0 110.935 177.442 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 43.2 mt-10 -65.06 -35.44 81.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.107 178.763 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -72.71 -44.97 61.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.577 -0.738 . . . . 20.0 110.802 178.989 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -63.85 -39.51 94.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.495 -0.321 . . . . 20.0 110.75 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.4 -24.0 67.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.967 0.413 . . . . 20.0 111.06 178.911 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -90.22 -52.76 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.937 -0.574 . . . . 20.0 111.151 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 59.9 ttp -79.6 -46.33 17.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.451 -0.341 . . . . 20.0 111.633 -173.537 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 108.927 -0.768 . . . . 20.0 108.927 179.239 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 121.052 0.453 . . . . 20.0 110.205 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -65.44 -28.98 69.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.947 -0.57 . . . . 20.0 109.926 175.69 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.29 -41.16 90.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.208 179.24 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -75.85 -40.52 54.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.499 179.546 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -70.24 -12.46 61.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.023 0.439 . . . . 20.0 111.172 179.243 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -77.13 -18.3 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.007 0.432 . . . . 20.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -62.48 -37.47 86.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.593 178.983 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -60.07 -37.71 80.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.726 176.597 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -66.64 -44.18 82.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.956 -0.566 . . . . 20.0 109.851 178.327 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 29' ' ' VAL . 96.4 mt -61.41 -47.33 86.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.513 177.415 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -55.27 -42.46 73.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 20.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.22 86.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.93 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -74.98 -35.06 62.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.68 -178.666 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 25' ' ' LEU . 84.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.22 0.533 . . . . 20.0 110.288 176.988 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 23.1 m170 . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 120.66 0.267 . . . . 20.0 111.131 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -70.67 -38.7 73.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.996 -0.547 . . . . 20.0 110.88 -178.186 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.14 -23.49 54.82 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.557 -0.457 . . . . 20.0 110.153 -177.79 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.58 -45.91 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.211 -0.663 . . . . 20.0 109.211 174.006 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 38.4 mt-10 -60.04 -42.35 94.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.308 -0.86 . . . . 20.0 110.244 176.283 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -64.56 -40.8 96.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.03 -0.532 . . . . 20.0 111.563 -179.07 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -68.54 -42.69 78.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.741 -0.209 . . . . 20.0 111.466 -178.794 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 17.0 ptp -71.54 -32.99 68.77 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.492 -0.483 . . . . 20.0 110.64 178.662 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.26 -51.05 71.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.707 0.289 . . . . 20.0 111.362 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.16 -19.76 64.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.83 -178.79 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -75.97 -41.62 50.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.259 -0.428 . . . . 20.0 109.911 176.356 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -70.54 -29.39 65.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.208 0.528 . . . . 20.0 110.222 177.052 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.09 -21.53 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.441 -0.799 . . . . 20.0 111.601 -178.107 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -66.93 -23.27 65.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.852 179.241 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 56.4 ttm -83.82 -14.12 52.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.15 0.5 . . . . 20.0 110.187 178.457 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 77.9 ttt180 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 20.0 110.086 179.294 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 19' ' ' ASN . 74.5 mm-40 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.788 0.327 . . . . 20.0 110.954 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 17' ' ' GLN . 17.7 mm-40 -64.7 -33.85 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.082 0.467 . . . . 20.0 110.125 176.212 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -89.57 -31.45 17.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.749 -0.66 . . . . 20.0 109.668 178.148 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.465 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . 65.8 t30 -66.55 -20.29 65.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.48 -0.782 . . . . 20.0 110.221 178.001 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.3 m -60.28 -28.57 68.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 20.0 110.681 176.033 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -73.88 -33.7 64.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 20.0 110.216 177.567 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.99 -41.71 90.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.457 -178.975 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.86 -30.26 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.509 . . . . 20.0 110.435 179.274 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -69.01 -43.09 75.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.57 -0.741 . . . . 20.0 110.243 175.896 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.8 tp -74.38 -31.54 62.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.944 -0.571 . . . . 20.0 110.749 -178.34 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 26' ' ' ARG . 17.9 ttm-85 -51.74 -53.79 35.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.625 -0.716 . . . . 20.0 111.628 -178.531 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -9.87 59.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.058 -0.519 . . . . 20.0 111.65 -175.169 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -90.29 -45.65 8.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.153 -0.476 . . . . 20.0 110.972 -178.791 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.705 -175.596 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.584 ' O ' HG12 ' A' ' 45' ' ' VAL . 42.1 t-80 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.818 0.342 . . . . 20.0 110.784 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -80.6 -8.77 59.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.877 0.37 . . . . 20.0 110.839 177.178 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.65 -29.03 56.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.406 -0.361 . . . . 20.0 110.854 -178.416 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 42' ' ' HIS . 14.0 p -68.9 -25.93 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.923 0.392 . . . . 20.0 109.983 176.871 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.83 -48.69 68.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.077 0.465 . . . . 20.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -72.76 -34.95 67.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.696 -179.218 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -74.76 -34.83 62.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.877 -177.667 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 46.3 ttm -63.82 -32.79 74.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 20.0 110.508 -179.559 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -33.46 75.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.232 0.539 . . . . 20.0 110.644 178.192 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 41.6 mt-10 -72.56 -29.63 63.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.594 -0.73 . . . . 20.0 110.282 178.264 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -63.59 -41.37 98.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 20.0 109.845 177.276 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -69.26 -32.71 72.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.724 -0.671 . . . . 20.0 110.703 176.796 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.7 -14.52 61.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 20.0 111.205 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 68.6 mttm -68.0 -25.48 65.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.992 0.425 . . . . 20.0 110.283 175.384 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.6 mmt -77.91 -1.03 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.651 -178.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.267 179.001 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 N-CA-C 112.204 0.446 . . . . 20.0 112.204 . . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.36 -19.88 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.969 0.414 . . . . 20.0 111.26 -179.022 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.72 -24.76 33.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.588 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.48 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 9.6 m120 -61.57 -24.66 66.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.404 -0.362 . . . . 20.0 111.693 -171.982 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.5 p -72.21 -47.29 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.147 0.499 . . . . 20.0 110.844 178.838 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -80.57 -34.82 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.843 -0.617 . . . . 20.0 110.734 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -56.88 -37.73 71.77 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.919 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -64.02 -46.11 85.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 20.0 110.616 179.499 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -71.58 -35.6 70.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.477 -178.377 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 29' ' ' VAL . 49.6 tp -71.88 -33.38 68.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.022 -0.536 . . . . 20.0 110.137 178.312 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -57.93 -27.62 63.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.595 -0.729 . . . . 20.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.98 -37.95 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.931 0.396 . . . . 20.0 110.983 178.835 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -90.22 -30.04 17.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 20.0 110.685 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 25' ' ' LEU . 84.6 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 20.0 111.116 -178.81 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.442 0.163 . . . . 20.0 111.203 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -73.27 -34.81 66.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.292 0.568 . . . . 20.0 109.632 173.845 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.9 -36.85 80.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.297 -0.865 . . . . 20.0 110.333 -179.081 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.36 -44.34 92.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.874 -0.603 . . . . 20.0 110.505 177.891 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -61.39 -37.13 82.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.028 0.442 . . . . 20.0 110.286 178.424 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -65.64 -47.25 76.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.037 -179.84 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HD3' ' SD ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -73.59 -19.95 60.74 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.743 -0.383 . . . . 20.0 111.028 -179.07 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.408 ' SD ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -68.34 -38.99 82.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.046 0.451 . . . . 20.0 109.964 171.765 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.8 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.255 176.357 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.609 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 43.9 mt-10 -63.51 -41.98 98.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.414 -0.812 . . . . 20.0 110.176 176.862 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -57.17 -45.14 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.906 177.766 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -64.55 -38.0 89.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.201 0.524 . . . . 20.0 110.101 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.16 88.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.79 -0.641 . . . . 20.0 111.183 179.701 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 96.3 mttt -60.64 -32.17 71.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.48 . . . . 20.0 110.998 179.398 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.8 ttp -62.86 -38.55 91.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.526 . . . . 20.0 111.058 -177.86 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 20.0 110.858 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.724 0.297 . . . . 20.0 110.2 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -55.77 -43.17 76.47 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.142 -0.481 . . . . 20.0 110.287 178.458 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -70.12 -38.64 75.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.921 -0.581 . . . . 20.0 110.061 179.411 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -62.99 -30.31 71.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.302 -0.408 . . . . 20.0 111.007 179.246 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 t -77.09 -52.04 10.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.389 -0.369 . . . . 20.0 111.253 -178.688 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -92.97 -49.17 6.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.333 0.494 . . . . 20.0 112.333 -173.279 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -74.93 -12.11 60.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.064 0.394 . . . . 20.0 112.064 -169.414 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.3 -36.55 73.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.059 0.457 . . . . 20.0 110.454 179.266 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -87.16 -27.45 23.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.142 0.496 . . . . 20.0 110.827 178.788 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.8 tp -71.19 -30.3 66.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.818 -0.628 . . . . 20.0 110.461 178.919 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -54.91 -30.7 58.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.712 -0.676 . . . . 20.0 111.43 -176.5 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.97 -39.79 25.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 20.0 111.077 179.387 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -79.88 -29.02 39.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.179 -0.464 . . . . 20.0 111.025 -174.725 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.113 0.482 . . . . 20.0 110.408 179.474 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.573 0.225 . . . . 20.0 110.665 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.574 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 32.6 t70 -65.62 -40.26 92.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.515 -0.311 . . . . 20.0 110.343 177.235 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.2 -39.83 95.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.972 0.415 . . . . 20.0 109.979 177.37 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.77 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.6 -0.727 . . . . 20.0 110.451 177.858 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.3 -36.6 81.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.164 -0.471 . . . . 20.0 110.351 177.458 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 49.7 mtm-85 -69.07 -28.35 66.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.124 0.487 . . . . 20.0 109.744 176.137 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -75.47 -36.4 60.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.614 -0.721 . . . . 20.0 109.991 179.108 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.06 -34.59 75.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.131 176.524 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.41 -29.72 64.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.824 -0.625 . . . . 20.0 110.878 176.523 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.43 -22.22 65.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.597 -0.729 . . . . 20.0 110.664 -179.261 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' A' ' 56' ' ' MET . 10.6 mpt_? -76.02 -47.69 23.87 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.721 -0.474 . . . . 20.0 109.721 174.959 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -62.48 -34.27 76.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 20.0 110.794 179.575 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.49 77.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.946 -0.57 . . . . 20.0 111.081 177.428 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -82.01 -26.14 34.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.104 -0.498 . . . . 20.0 110.409 178.958 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 30.6 mmt -70.06 -27.8 64.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.079 176.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.722 -0.672 . . . . 20.0 110.759 179.333 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.868 0.366 . . . . 20.0 110.485 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.08 -39.54 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.902 -0.59 . . . . 20.0 110.768 -178.771 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -75.8 -37.73 58.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.486 -179.554 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -69.14 -48.18 63.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 20.0 110.873 -176.959 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.5 m -64.18 -34.56 78.36 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.75 0.31 . . . . 20.0 110.943 -179.116 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -70.78 -44.29 66.95 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.914 -0.402 . . . . 20.0 109.914 177.738 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.46 -39.72 94.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.969 -0.56 . . . . 20.0 110.741 178.986 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -55.97 -37.43 69.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.521 -0.763 . . . . 20.0 111.036 -179.431 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -90.34 -39.66 12.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.776 179.917 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 tp -62.18 -25.42 67.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.773 -174.759 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 26' ' ' ARG . 22.9 ptt85 -58.6 -24.64 61.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.839 0.352 . . . . 20.0 110.844 179.532 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.06 63.64 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.178 177.093 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -66.24 -39.25 89.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.222 -0.445 . . . . 20.0 110.422 -179.778 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 20.0 111.485 178.508 . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 . . . . . 0 N--CA 1.462 0.171 0 N-CA-C 112.644 0.609 . . . . 20.0 112.644 . . . . . . . . . 0 0 . 1 . 041 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -77.96 -32.2 51.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.408 0.623 . . . . 20.0 109.921 176.162 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.58 -23.97 36.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.439 -0.801 . . . . 20.0 110.377 -178.873 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.86 -36.58 44.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.771 176.146 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.2 -33.64 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.157 0.503 . . . . 20.0 110.64 179.069 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.559 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 3.3 mmp_? -84.47 -40.83 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.889 178.405 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -74.2 -20.59 60.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.097 -176.295 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 54.0 tpp -63.33 -28.94 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.7 179.565 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.2 -25.53 67.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.299 0.571 . . . . 20.0 110.677 176.888 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -92.17 -34.42 14.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.68 . . . . 20.0 111.093 175.878 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 5.7 mmp_? -82.31 -17.91 44.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.796 0.665 . . . . 20.0 112.796 -172.528 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -63.21 -17.65 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.246 0.546 . . . . 20.0 110.592 -179.485 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -67.7 -9.96 48.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.455 -0.793 . . . . 20.0 111.609 179.709 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -79.17 -24.76 43.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.761 0.315 . . . . 20.0 110.505 176.685 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.1 ttt -68.87 -22.49 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 20.0 111.7 -172.566 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 15.6 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 20.0 110.421 176.877 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 113.048 0.759 . . . . 20.0 113.048 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -92.5 -73.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.783 0.661 . . . . 20.0 112.783 -175.203 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -91.69 -38.53 12.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.38 0.61 . . . . 20.0 110.958 -174.139 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.463 ' HA ' ' HB3' ' A' ' 22' ' ' ASN . 29.7 m-20 -65.02 -14.93 61.65 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.286 -0.87 . . . . 20.0 111.959 -174.532 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -57.99 -38.63 76.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 20.0 111.184 178.99 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -88.66 -29.1 20.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.575 -0.528 . . . . 20.0 109.575 179.213 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.463 ' HB3' ' HA ' ' A' ' 19' ' ' ASN . 28.0 t-20 -62.98 -24.99 68.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.532 178.102 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 39.6 mt-10 -50.77 -43.91 58.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.49 -0.323 . . . . 20.0 111.528 177.988 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -74.48 -38.74 62.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.512 -0.313 . . . . 20.0 110.995 -179.011 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.04 -42.57 89.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.657 -0.498 . . . . 20.0 109.657 179.811 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -62.32 -45.79 91.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.451 -0.795 . . . . 20.0 110.678 -178.831 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.6 -24.64 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.092 0.472 . . . . 20.0 111.252 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -79.89 -48.32 13.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.849 -0.614 . . . . 20.0 110.631 -179.28 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 20.0 110.761 179.923 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.519 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 8.4 p-80 . . . . . 0 N--CA 1.457 -0.108 0 N-CA-C 110.313 -0.255 . . . . 20.0 110.313 . . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 11.0 m-20 -59.33 -40.3 85.91 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 109.646 -0.501 . . . . 20.0 109.646 174.39 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 14.6 tp10 -52.56 -45.73 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.334 175.776 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.02 -46.48 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.52 -0.763 . . . . 20.0 111.229 -178.91 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 38.8 mt-10 -61.35 -40.15 93.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 20.0 111.535 -177.165 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 43' ' ' ASP . 3.4 mpt_? -68.39 -21.44 64.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 20.0 110.942 178.551 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 92.9 mtt180 -83.3 -40.61 19.28 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.766 -0.457 . . . . 20.0 109.766 176.627 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.2 mmt -70.46 -21.0 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.756 178.571 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.7 -34.82 65.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 20.0 111.106 176.892 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.08 -26.51 62.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.751 179.617 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -84.45 -25.82 28.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.865 -0.607 . . . . 20.0 109.561 -179.25 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -65.54 -14.63 61.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.27 -0.877 . . . . 20.0 110.385 176.804 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.51 -26.66 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 20.0 110.493 175.226 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -69.51 -25.84 64.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.921 -0.581 . . . . 20.0 110.762 177.479 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 96.4 mmm -73.05 -13.98 61.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.108 0.48 . . . . 20.0 110.451 179.797 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 14.2 tpt180 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.152 -0.684 . . . . 20.0 109.152 175.111 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 43.5 mt-10 . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 112.094 0.405 . . . . 20.0 112.094 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -65.15 -21.4 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.92 0.391 . . . . 20.0 110.812 178.721 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -81.73 -28.05 33.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.365 0.602 . . . . 20.0 109.654 175.915 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.426 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 17.0 m120 -73.11 -14.96 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.298 -0.865 . . . . 20.0 110.117 178.583 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -63.33 -19.96 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.48 176.046 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.473 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 45.4 t80 -65.24 -50.91 64.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.545 -0.298 . . . . 20.0 110.58 177.858 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' HA ' HD12 ' A' ' 25' ' ' LEU . 2.8 p-10 -71.76 -22.48 61.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.036 0.446 . . . . 20.0 110.09 178.91 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 7.1 tp10 -61.66 -39.78 92.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.649 . . . . 20.0 109.978 173.025 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -75.88 -29.52 58.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.336 . . . . 20.0 111.007 176.47 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 22' ' ' ASN . 96.5 mt -67.22 -43.53 81.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.53 -0.305 . . . . 20.0 111.015 -178.972 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.446 ' HD2' ' C ' ' A' ' 26' ' ' ARG . 4.5 ppt_? -66.97 -20.82 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.226 0.536 . . . . 20.0 110.35 178.26 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.22 -21.6 46.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.842 -0.617 . . . . 20.0 110.878 177.78 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -73.71 -46.82 43.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.268 179.44 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.041 176.915 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.7 p80 . . . . . 0 N--CA 1.468 0.437 0 N-CA-C 111.897 0.332 . . . . 20.0 111.897 . . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -80.84 -21.27 40.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 20.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -89.27 -33.74 16.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.093 178.221 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.477 HG13 ' HB2' ' A' ' 49' ' ' MET . 86.2 t -58.73 -40.32 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 20.0 110.155 175.688 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.82 -23.5 63.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.388 -0.824 . . . . 20.0 110.937 179.357 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -83.98 -69.03 0.67 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.364 -0.38 . . . . 20.0 111.404 -178.047 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -90.67 -39.09 12.66 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.668 0.618 . . . . 20.0 112.668 -171.353 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.477 ' HB2' HG13 ' A' ' 45' ' ' VAL . 82.9 mtp -89.6 -16.31 30.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.906 0.706 . . . . 20.0 112.906 -171.914 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.56 -58.77 1.22 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.666 0.987 . . . . 20.0 113.666 -173.422 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 33.9 mt-10 -72.58 -32.5 66.05 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.664 -0.414 . . . . 20.0 111.164 -175.945 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -62.25 -40.88 97.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.264 0.554 . . . . 20.0 109.759 175.796 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 56' ' ' MET . 79.6 t80 -69.5 -37.26 77.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.387 -0.824 . . . . 20.0 110.091 178.321 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.37 97.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.955 -0.566 . . . . 20.0 110.941 177.761 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 99.5 mttt -62.98 -36.0 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.689 -179.348 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 21.7 ptp -85.53 -19.69 30.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.749 0.309 . . . . 20.0 110.82 -178.67 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.09 178.973 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.731 0.3 . . . . 20.0 111.19 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.79 -35.99 75.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 20.0 110.161 178.943 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 7.8 mm-40 -80.58 -38.27 29.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.958 -0.565 . . . . 20.0 110.437 -179.232 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -73.05 -14.79 61.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 20.0 110.339 -179.911 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 t -59.96 -17.5 38.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.459 -0.791 . . . . 20.0 111.583 -178.539 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.405 ' HD1' ' O ' ' A' ' 18' ' ' GLU . 16.0 p90 -55.48 -27.34 47.78 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.522 0.201 . . . . 20.0 111.45 -177.722 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 92.1 m-20 -62.09 -28.68 69.79 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.315 -0.402 . . . . 20.0 111.349 179.804 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.05 -35.62 81.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.88 -177.829 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -69.31 -29.12 66.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.448 -0.342 . . . . 20.0 110.623 176.985 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.55 -34.64 72.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 20.0 109.912 175.844 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 12.3 mmp_? -73.08 -40.58 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.079 178.394 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.18 -22.09 63.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.875 -0.602 . . . . 20.0 110.899 178.715 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.13 -44.92 90.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.709 177.268 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.121 179.09 . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.4 p80 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.571 0.224 . . . . 20.0 110.849 . . . . . . . . . 0 0 . 1 . 044 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.64 -52.45 65.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 20.0 110.823 176.134 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.33 -18.91 59.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.498 -0.319 . . . . 20.0 110.825 -177.949 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.21 -42.16 95.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.984 0.421 . . . . 20.0 110.149 176.068 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -59.4 -33.46 71.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.552 -0.749 . . . . 20.0 110.467 176.935 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 6.9 tpm_? -83.1 -32.0 26.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.842 -0.617 . . . . 20.0 110.935 -179.18 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.7 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 65.2 mtp180 -78.07 -16.97 57.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.497 -179.348 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.6 mmt -48.53 -35.26 12.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.709 -0.223 . . . . 20.0 111.452 177.567 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.68 -50.89 62.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 20.0 111.992 178.43 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.7 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 11.6 pt-20 -67.96 -30.51 69.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.071 0.462 . . . . 20.0 110.373 -178.638 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -70.6 -32.91 70.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.423 179.208 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -72.54 -31.99 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.391 . . . . 20.0 110.228 175.628 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.23 93.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.223 174.606 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 48.3 mtpt -77.17 -19.75 56.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.975 -0.557 . . . . 20.0 110.442 176.837 . . . . . . . . 2 2 . 1 . 044 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.5 ttt -71.01 -21.49 62.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.004 177.405 . . . . . . . . 1 1 . 1 . 044 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.895 174.911 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.75 0.31 . . . . 20.0 110.902 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -63.87 -29.15 70.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 20.0 111.191 179.425 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.97 -40.23 92.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.047 -0.353 . . . . 20.0 110.047 179.492 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -67.56 -24.77 65.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.705 -177.31 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m -70.76 -41.58 71.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.979 -0.555 . . . . 20.0 110.136 177.44 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -80.86 -30.78 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.268 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -54.82 -37.79 66.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.779 -0.646 . . . . 20.0 110.186 178.886 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.65 -45.17 95.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.839 179.752 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -77.83 -36.37 50.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 20.0 110.801 -178.018 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.77 -26.72 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.902 0.382 . . . . 20.0 110.346 177.626 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -70.27 -24.23 63.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.98 -0.555 . . . . 20.0 110.249 178.495 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.91 -32.34 20.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.122 0.487 . . . . 20.0 110.527 178.249 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -91.06 2.15 56.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.661 -0.699 . . . . 20.0 111.222 -177.843 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 112.356 0.502 . . . . 20.0 112.356 -173.621 . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 . . . . . 0 CA--C 1.518 -0.288 0 CA-C-O 121.366 0.603 . . . . 20.0 109.71 . . . . . . . . . 0 0 . 1 . 045 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.565 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 8.6 m-20 -70.12 -15.65 63.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.295 -0.866 . . . . 20.0 110.206 177.295 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.15 -43.49 95.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.751 -0.658 . . . . 20.0 110.415 177.947 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.3 -38.09 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.466 0.65 . . . . 20.0 109.9 178.31 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.17 -30.81 71.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.962 -1.017 . . . . 20.0 111.26 179.362 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 5.3 mmp_? -56.15 -42.38 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.481 -0.327 . . . . 20.0 111.549 -176.723 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -65.37 -35.32 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.265 0.555 . . . . 20.0 110.28 -179.314 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.38 -25.96 42.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.211 -179.597 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.37 -31.59 72.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.817 -0.628 . . . . 20.0 110.316 175.02 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.53 -28.18 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 20.0 110.684 176.797 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -73.89 -40.67 63.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.356 -0.609 . . . . 20.0 109.356 175.195 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -66.16 -23.63 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.312 177.379 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -64.11 -18.64 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.793 -0.64 . . . . 20.0 111.215 177.57 . . . . . . . . 2 2 . 1 . 045 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -90.06 -21.82 22.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.168 0.509 . . . . 20.0 110.216 176.756 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -91.89 -2.42 56.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.853 -0.612 . . . . 20.0 111.368 178.737 . . . . . . . . 1 1 . 1 . 045 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 4.7 ptp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 20.0 110.787 -178.48 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 CA--C 1.527 0.063 0 N-CA-C 111.746 0.276 . . . . 20.0 111.746 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.85 -44.54 96.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 20.0 110.92 -178.036 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.77 -33.81 46.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.888 0.375 . . . . 20.0 110.479 -179.666 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -67.94 -20.57 65.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 20.0 111.032 179.332 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -65.01 -34.61 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 20.0 110.648 177.1 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -78.04 -38.07 45.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.729 -0.471 . . . . 20.0 109.729 178.049 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.18 -40.94 95.8 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.967 -0.56 . . . . 20.0 109.868 175.267 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.52 -47.52 83.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.8 -0.636 . . . . 20.0 110.414 178.035 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -62.83 -42.33 99.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.608 -0.724 . . . . 20.0 111.034 -179.096 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -73.67 -37.04 65.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 20.0 110.528 -178.587 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -68.28 -32.07 71.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.981 -0.554 . . . . 20.0 110.297 179.016 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.29 -24.63 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.599 . . . . 20.0 111.414 -179.504 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -67.56 -32.11 72.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 20.0 110.255 178.527 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.205 -0.452 . . . . 20.0 110.364 177.72 . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 . . . . . 0 N--CA 1.46 0.07 0 N-CA-C 111.618 0.229 . . . . 20.0 111.618 . . . . . . . . . 0 0 . 1 . 046 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.27 -43.49 78.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.015 0.436 . . . . 20.0 110.547 178.023 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -69.24 -34.84 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 20.0 110.645 -176.908 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.84 -49.55 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.68 . . . . 20.0 110.662 -178.775 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.91 -48.72 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.72 -0.673 . . . . 20.0 110.965 -179.323 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 40.5 ttm180 -58.05 -38.93 77.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.975 0.417 . . . . 20.0 111.003 -179.677 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -70.07 -48.37 58.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.981 -0.554 . . . . 20.0 111.169 -178.719 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.7 mtt -80.23 -48.88 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.18 0.437 . . . . 20.0 112.18 -173.504 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -56.17 14.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.54 0.57 . . . . 20.0 112.54 -171.323 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' OE2' ' HG3' ' A' ' 47' ' ' ARG . 37.7 mt-10 -60.45 -36.3 77.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.903 0.334 . . . . 20.0 111.903 -174.093 . . . . . . . . 2 2 . 1 . 046 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -78.59 -35.12 46.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.771 0.32 . . . . 20.0 110.829 -179.394 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -75.32 -22.92 57.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.924 0.393 . . . . 20.0 110.195 -179.243 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.17 87.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.612 176.321 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -75.52 -16.8 60.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.947 -0.569 . . . . 20.0 110.158 179.063 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.5 mtt -87.71 -10.91 49.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.74 -0.664 . . . . 20.0 110.518 177.281 . . . . . . . . 1 1 . 1 . 046 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.118 -0.492 . . . . 20.0 109.725 174.904 . . . . . . . . 0 0 . 1 . 047 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 9.5 pt-20 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.933 0.397 . . . . 20.0 111.499 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 82.8 mm-40 -66.92 -30.37 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.712 -178.447 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HA ' ' CD2' ' A' ' 21' ' ' TYR . 45.9 mt-10 -81.4 -35.13 31.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 20.0 109.962 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.09 -34.44 76.32 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.394 -0.595 . . . . 20.0 109.394 172.644 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.3 m -71.04 -20.74 62.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.667 -0.697 . . . . 20.0 111.155 179.76 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.661 ' CD2' ' HA ' ' A' ' 18' ' ' GLU . 15.6 m-85 -68.03 -23.14 64.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.874 0.368 . . . . 20.0 110.372 177.295 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -67.69 -18.06 64.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.19 -30.42 71.48 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.041 0.448 . . . . 20.0 110.382 175.507 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -70.66 -33.75 71.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.993 -0.549 . . . . 20.0 110.05 177.959 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mp -78.49 -33.84 47.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 20.0 109.985 177.643 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' HA ' HG12 ' A' ' 29' ' ' VAL . 77.7 ttt180 -49.91 -41.45 46.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.177 -0.92 . . . . 20.0 111.88 -179.044 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.05 77.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.886 -177.411 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -92.46 -34.09 14.25 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.339 0.496 . . . . 20.0 112.339 -178.266 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 26' ' ' ARG . 6.4 p . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 112.015 0.376 . . . . 20.0 112.015 -173.372 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.509 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 36.1 m-70 . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 111.973 0.36 . . . . 20.0 111.973 . . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -77.77 -30.16 51.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 20.0 110.548 -178.875 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' HG3' ' HE ' ' A' ' 47' ' ' ARG . 22.6 tt0 -73.88 -35.45 64.7 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.831 -0.433 . . . . 20.0 109.831 176.248 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 80.0 t -57.79 -40.36 75.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.097 -0.501 . . . . 20.0 110.481 177.074 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 35.4 mt-10 -60.37 -54.34 46.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.177 179.755 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HE ' ' HG3' ' A' ' 44' ' ' GLU . 40.6 ptt180 -68.16 -30.21 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.398 . . . . 20.0 110.859 -177.712 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -79.2 -27.19 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.565 -178.028 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 48.2 ttm -64.07 -37.03 85.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 20.0 110.516 -179.031 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.81 79.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.314 0.578 . . . . 20.0 110.373 176.638 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.17 -21.31 46.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.836 . . . . 20.0 110.412 179.624 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -33.01 60.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.709 174.683 . . . . . . . . 2 2 . 1 . 047 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -71.77 -26.43 62.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.87 -0.605 . . . . 20.0 109.908 176.705 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.8 -24.4 65.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.707 -0.679 . . . . 20.0 110.782 176.254 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -63.44 -32.21 73.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.864 -0.607 . . . . 20.0 110.28 176.828 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.7 ttt -64.17 -29.22 70.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.776 -0.647 . . . . 20.0 110.66 179.335 . . . . . . . . 1 1 . 1 . 047 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.39 -179.844 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 42.3 mt-10 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 112.204 0.446 . . . . 20.0 112.204 . . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -54.52 -46.35 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.75 -0.204 . . . . 20.0 111.032 179.176 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.7 -28.62 65.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.941 0.4 . . . . 20.0 110.642 178.621 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.417 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 12.3 m120 -68.76 -34.62 75.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.483 -0.562 . . . . 20.0 109.483 178.93 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.6 m -79.54 -21.65 44.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.449 178.185 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -74.15 -45.92 45.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.955 -177.623 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -69.0 -30.47 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.68 -0.408 . . . . 20.0 110.317 -179.171 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.97 -37.85 87.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.179 0.514 . . . . 20.0 109.82 175.185 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -64.24 -39.92 94.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.634 -0.712 . . . . 20.0 110.221 176.763 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.3 -38.32 90.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.097 0.475 . . . . 20.0 110.144 177.459 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -58.81 -43.38 90.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.619 -0.719 . . . . 20.0 110.748 175.906 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.27 72.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 20.0 111.05 179.829 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -68.5 -46.05 70.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.867 178.588 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.605 -177.117 . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 p80 . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 121.271 0.558 . . . . 20.0 109.953 . . . . . . . . . 0 0 . 1 . 048 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -51.14 -45.2 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.886 -1.052 . . . . 20.0 112.949 -174.071 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -23.09 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.733 -0.387 . . . . 20.0 110.544 -177.051 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 49' ' ' MET . 99.2 t -62.0 -37.06 77.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.47 -0.567 . . . . 20.0 109.47 173.283 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.01 -38.39 73.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.253 -0.885 . . . . 20.0 110.279 174.669 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -74.6 -38.56 62.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.814 -0.63 . . . . 20.0 109.972 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -58.3 -41.65 84.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.576 . . . . 20.0 110.218 175.029 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.0 mmt -70.25 -31.87 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.711 -0.677 . . . . 20.0 110.751 178.01 . . . . . . . . 2 2 . 1 . 048 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.02 -43.06 88.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.543 177.389 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.97 -33.98 74.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.826 -0.624 . . . . 20.0 110.059 177.354 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -63.7 -39.88 95.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.53 -0.759 . . . . 20.0 110.112 176.754 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -68.02 -36.04 79.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.144 176.696 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.16 76.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.006 179.106 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -69.67 -23.76 63.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.74 178.466 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 97.0 mmm -85.98 -22.0 27.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.152 0.501 . . . . 20.0 110.379 178.738 . . . . . . . . 1 1 . 1 . 048 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.628 -0.714 . . . . 20.0 110.152 177.818 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.812 0.339 . . . . 20.0 111.003 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -83.69 -30.48 26.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 20.0 110.262 179.63 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.83 -26.52 68.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.067 176.467 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -61.03 -31.53 71.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.63 178.397 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -71.01 -30.92 67.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.066 0.46 . . . . 20.0 110.451 178.273 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 65.9 m-85 -73.7 -38.22 64.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.34 0.591 . . . . 20.0 109.625 176.264 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -69.88 -21.89 63.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.52 -0.764 . . . . 20.0 110.591 176.861 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -66.03 -39.52 90.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 20.0 109.878 178.027 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.515 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 9.0 m0 -73.26 -27.26 61.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.108 0.48 . . . . 20.0 110.093 177.466 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.8 mt -72.63 -10.59 59.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 20.0 110.881 178.066 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -66.75 -40.12 88.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 20.0 110.435 174.373 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.46 -34.3 20.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.45 0.643 . . . . 20.0 110.456 179.356 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -82.72 3.81 27.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.234 -0.894 . . . . 20.0 111.342 -179.219 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 112.355 0.502 . . . . 20.0 112.355 -176.147 . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.563 0.22 . . . . 20.0 110.915 . . . . . . . . . 0 0 . 1 . 049 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 15.6 t70 -70.48 -39.43 74.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 20.0 110.36 176.557 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.517 ' HG3' ' NH1' ' A' ' 48' ' ' ARG . 32.5 tt0 -72.47 -35.71 68.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.083 -179.633 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.6 t -60.51 -45.79 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.132 175.206 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.76 -27.83 69.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.361 -0.836 . . . . 20.0 111.389 -178.033 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 62.3 mtt-85 -84.83 -53.35 5.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.549 -0.296 . . . . 20.0 111.205 178.751 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.517 ' NH1' ' HG3' ' A' ' 44' ' ' GLU . 7.2 mpt_? -87.41 -59.58 2.21 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.339 0.496 . . . . 20.0 112.339 -173.01 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 62.6 mtp -69.32 -19.91 63.88 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.329 0.492 . . . . 20.0 112.329 -172.297 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.14 78.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.968 0.414 . . . . 20.0 110.929 177.368 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -67.94 -29.7 68.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.662 -179.339 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 56' ' ' MET . 36.4 mtp180 -79.12 -33.08 44.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.775 -179.785 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -66.35 -37.95 86.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 20.0 109.806 177.833 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.67 -28.07 68.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.089 174.93 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -79.1 -26.82 42.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.481 -0.781 . . . . 20.0 110.302 178.295 . . . . . . . . 1 1 . 1 . 049 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' A' ' 52' ' ' ARG . 68.0 mtt -63.46 -17.49 62.77 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.857 179.059 . . . . . . . . 2 2 . 1 . 049 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.362 0.601 . . . . 20.0 109.769 175.992 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.97 0.414 . . . . 20.0 110.055 . . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -66.45 -37.04 84.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.668 -0.697 . . . . 20.0 110.836 -179.581 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.58 -44.85 95.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.41 -178.311 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -72.76 -42.28 64.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.154 -0.475 . . . . 20.0 111.22 -178.295 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 p -65.42 -33.81 76.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.013 0.435 . . . . 20.0 110.977 -178.484 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -72.95 -38.62 66.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.273 -0.422 . . . . 20.0 110.46 179.266 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -64.19 -33.56 76.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.362 -0.381 . . . . 20.0 110.819 178.22 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.03 -38.95 93.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.344 -0.389 . . . . 20.0 110.577 176.282 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -70.91 -37.74 72.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.319 -0.4 . . . . 20.0 110.513 177.526 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.4 tp -56.94 -42.12 79.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.038 0.447 . . . . 20.0 110.289 178.031 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -70.29 -27.34 64.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.877 -0.601 . . . . 20.0 111.125 178.958 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.47 -32.53 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.042 -179.137 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -74.12 -39.88 63.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.731 -179.137 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 121.546 0.689 . . . . 20.0 110.699 -179.274 . . . . . . . . 0 0 . 1 . 050 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 44.2 m80 . . . . . 0 CA--C 1.517 -0.327 0 CA-C-O 120.519 0.199 . . . . 20.0 110.947 . . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.17 -37.48 80.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.537 -177.216 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.81 -13.0 60.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.814 0.34 . . . . 20.0 110.847 179.242 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.0 t -91.11 -48.11 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.015 0.436 . . . . 20.0 110.405 176.191 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 31.4 mm-40 -54.27 -37.23 64.48 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.522 -0.763 . . . . 20.0 111.353 -178.721 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -59.14 -33.23 70.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.023 -0.535 . . . . 20.0 111.164 -179.545 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 45.0 mtp180 -82.41 -43.11 17.73 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.998 -0.371 . . . . 20.0 109.998 -178.809 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 59.9 mtt -61.29 -28.45 69.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.944 -0.571 . . . . 20.0 111.108 -179.384 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -54.94 -45.68 74.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 20.0 111.085 177.572 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -78.77 -22.46 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.565 -179.509 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.526 ' O ' ' HG2' ' A' ' 56' ' ' MET . 25.5 mmm180 -79.59 -19.86 48.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.904 -178.106 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 50' ' ' ALA . 13.3 m-85 -57.91 -31.02 66.37 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.654 -0.248 . . . . 20.0 111.556 -179.871 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.0 96.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.149 0.499 . . . . 20.0 110.598 177.601 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -77.66 -19.89 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.492 -179.003 . . . . . . . . 1 1 . 1 . 050 nuclear build core ' A' A ' 56' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 25.8 mmt -70.4 -19.0 63.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.937 -0.574 . . . . 20.0 110.811 179.83 . . . . . . . . 2 2 . 1 . 050 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? . . . . . 0 C--N 1.331 -0.231 0 N-CA-C 109.641 -0.503 . . . . 20.0 109.641 173.621 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.368 -0.234 . . . . 20.0 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -170.01 147.56 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.091 -0.337 . . . . 20.0 110.091 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -146.26 -177.32 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.71 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 64.74 50.82 1.97 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.7 -0.682 . . . . 20.0 111.677 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -160.36 -9.89 0.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.4 0.519 . . . . 20.0 112.4 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -57.08 -66.85 0.38 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.837 0.351 . . . . 20.0 110.449 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -124.85 68.78 1.11 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.666 -0.494 . . . . 20.0 109.666 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -77.74 -50.4 12.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.042 -0.526 . . . . 20.0 110.233 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -81.17 -28.68 34.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.492 -0.559 . . . . 20.0 109.492 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 t30 53.22 84.3 0.06 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.375 -0.83 . . . . 20.0 112.51 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 56.91 54.41 7.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 20.0 111.206 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.04 48.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.989 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.57 76.25 5.08 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.351 -0.611 . . . . 20.0 109.351 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 t 61.45 77.94 0.33 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.436 -0.802 . . . . 20.0 109.47 -172.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.449 ' O ' ' HB2' ' A' ' 8' ' ' MET . 61.1 Cg_endo -74.31 62.75 5.28 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.811 2.341 . . . . 20.0 112.214 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 22.6 mmt 72.59 141.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.339 -0.846 . . . . 20.0 111.068 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m -58.63 125.93 15.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.823 -0.626 . . . . 20.0 111.174 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.5 t -171.12 -162.37 0.25 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.615 -0.883 . . . . 20.0 108.615 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.55 97.93 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.003 0.43 . . . . 20.0 110.088 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -72.26 -7.85 51.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 20.0 111.921 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -77.19 -19.9 56.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.285 -0.416 . . . . 20.0 111.28 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 t -140.08 110.0 6.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.806 0.813 . . . . 20.0 111.686 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.407 HG22 ' OD1' ' A' ' 19' ' ' ASN . 71.0 mt -86.12 -37.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.49 -0.777 . . . . 20.0 109.644 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -57.51 -47.04 83.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.457 -0.792 . . . . 20.0 112.076 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -63.34 -45.62 90.36 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.001 -0.28 . . . . 20.0 110.731 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -61.76 -41.23 97.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.386 -0.37 . . . . 20.0 110.427 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.407 ' OD1' HG22 ' A' ' 15' ' ' ILE . 11.5 m120 -60.42 -45.03 95.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.14 175.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.8 t -59.82 -42.58 93.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.413 -0.358 . . . . 20.0 110.628 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -66.07 -41.09 91.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.486 -0.324 . . . . 20.0 110.955 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -69.55 -49.54 53.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 20.0 111.066 -178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -47.67 80.72 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.696 0.284 . . . . 20.0 111.45 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -68.76 -43.23 76.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.117 -0.492 . . . . 20.0 111.024 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.28 -45.56 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.685 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HA ' HG12 ' A' ' 29' ' ' VAL . 36.0 ttp-105 -62.68 -33.63 75.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 20.0 111.127 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.8 63.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.103 0.478 . . . . 20.0 110.656 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -76.29 -37.27 57.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.762 -0.654 . . . . 20.0 111.06 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 26' ' ' ARG . 4.9 p -70.89 -11.1 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.005 0.431 . . . . 20.0 110.853 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.01 -21.71 60.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.242 0.544 . . . . 20.0 109.892 175.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 m -89.77 -20.18 23.84 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.627 -0.715 . . . . 20.0 109.706 175.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 29' ' ' VAL . 19.1 m -71.37 131.47 43.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 20.0 110.891 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.9 mt 63.28 21.01 12.6 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.582 0.551 . . . . 20.0 111.464 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' C ' ' HD3' ' A' ' 36' ' ' PRO . . . -145.41 135.25 23.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.337 -0.392 . . . . 20.0 110.572 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.404 ' OD1' ' HG2' ' A' ' 38' ' ' PRO . 26.1 t70 -127.83 71.72 78.36 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.149 0.5 . . . . 20.0 109.966 176.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 34' ' ' ALA . 6.0 Cg_endo -90.23 -67.95 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.277 2.652 . . . . 20.0 111.969 178.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -138.54 68.67 45.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.376 -0.374 . . . . 20.0 110.571 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HG2' ' OD1' ' A' ' 35' ' ' ASP . 9.3 Cg_exo -72.39 104.59 1.72 Allowed 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.313 2.008 . . . . 20.0 110.775 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.31 75.72 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.287 0.565 . . . . 20.0 111.452 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.5 mt -105.6 98.13 16.53 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.586 -0.734 . . . . 20.0 109.337 175.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HB2' ' CA ' ' A' ' 46' ' ' GLU . 97.2 Cg_endo -86.23 117.21 1.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.55 2.167 . . . . 20.0 112.663 -175.464 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -94.29 -70.84 0.69 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.42 -0.512 . . . . 20.0 112.136 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.75 -69.88 0.78 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.704 0.631 . . . . 20.0 112.704 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.4 mm-40 -85.99 -31.51 22.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.971 -0.558 . . . . 20.0 111.433 -170.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG12 ' HB3' ' A' ' 41' ' ' PRO . 36.8 t -74.87 -34.35 32.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.452 -0.499 . . . . 20.0 109.77 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.537 ' CA ' ' HB2' ' A' ' 41' ' ' PRO . 41.1 tt0 -68.01 -39.1 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.662 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 14.4 ptm180 -67.62 -23.23 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.779 0.323 . . . . 20.0 110.206 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 99.7 mtt180 -78.54 -43.04 27.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.206 -0.452 . . . . 20.0 109.931 176.254 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -34.81 78.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.322 174.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.28 72.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.648 -0.705 . . . . 20.0 111.089 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.53 -41.1 93.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.2 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -65.66 -48.02 73.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.684 . . . . 20.0 110.589 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -64.1 -32.89 74.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.799 0.333 . . . . 20.0 110.774 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.81 72.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 20.0 111.311 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -17.61 59.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 20.0 110.957 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.3 ttt -79.31 -17.51 54.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 20.0 109.858 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 57' ' ' ARG . 45.7 ttp180 -67.64 -30.06 69.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.599 -0.728 . . . . 20.0 109.791 178.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.1 125.2 39.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.835 -0.621 . . . . 20.0 110.22 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 65.17 105.02 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.863 0.727 . . . . 20.0 111.563 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -83.03 -62.8 1.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 20.0 110.686 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.5 p -156.71 90.15 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.19 0.519 . . . . 20.0 110.989 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -84.02 81.93 8.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.087 0.47 . . . . 20.0 109.831 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.478 -0.773 . . . . 20.0 109.833 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.979 0.418 . . . . 20.0 110.784 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -97.04 151.33 19.84 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.676 -0.49 . . . . 20.0 109.676 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -134.98 74.39 1.52 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.609 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm 71.88 148.5 0.09 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.963 -1.017 . . . . 20.0 111.523 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -80.16 91.15 5.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.733 -0.667 . . . . 20.0 110.147 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -91.35 -58.83 2.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.764 -0.653 . . . . 20.0 109.83 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 36.8 t70 59.1 91.75 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.271 -0.877 . . . . 20.0 110.792 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -55.37 -33.5 63.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.3 -0.864 . . . . 20.0 112.87 -173.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -72.44 1.25 8.32 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.713 0.634 . . . . 20.0 112.713 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -61.11 146.5 47.19 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.543 -0.54 . . . . 20.0 109.543 176.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -81.18 73.01 8.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.139 0.422 . . . . 20.0 112.139 -172.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.97 20.76 4.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.201 0.525 . . . . 20.0 110.256 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.2 tp -87.54 82.11 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.451 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 19.5 m -138.53 61.5 24.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.703 176.656 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.559 ' HB2' ' SD ' ' A' ' 8' ' ' MET . 1.9 Cg_endo -80.88 -73.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.878 2.385 . . . . 20.0 112.251 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.559 ' SD ' ' HB2' ' A' ' 7' ' ' PRO . 2.0 mpt? -92.07 -37.94 12.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 20.0 109.987 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.22 132.85 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.079 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -133.8 73.36 1.5 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.409 0.623 . . . . 20.0 109.449 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -83.09 154.39 24.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.326 -0.852 . . . . 20.0 110.081 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -95.82 54.95 1.56 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.339 0.59 . . . . 20.0 110.04 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -76.02 -31.46 58.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.235 -0.893 . . . . 20.0 109.839 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -81.48 95.38 7.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.68 -0.691 . . . . 20.0 110.565 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.4 mt -94.49 114.72 31.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.715 -0.675 . . . . 20.0 110.199 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.22 -32.19 73.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.282 -0.417 . . . . 20.0 110.279 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.613 ' O ' ' HB2' ' A' ' 21' ' ' TYR . 25.9 mp0 -62.3 -28.65 69.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 20.0 110.434 176.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -79.93 -43.43 22.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.991 -0.55 . . . . 20.0 110.159 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.34 -45.72 80.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 20.0 110.527 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 m -81.24 -12.83 59.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 20.0 111.209 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.613 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 35.9 t80 -73.31 -17.1 61.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.57 -0.286 . . . . 20.0 110.93 -176.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 53.4 m-80 -54.44 -31.69 55.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 20.0 110.731 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.08 -35.83 82.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 20.0 111.058 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -76.01 -31.08 58.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.928 0.394 . . . . 20.0 110.375 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.22 -36.91 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.977 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 29.7 mmm180 -63.68 -35.36 80.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.626 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.43 -21.33 42.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.224 -0.444 . . . . 20.0 111.243 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -71.21 -14.23 62.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.024 -0.535 . . . . 20.0 111.378 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.0 p -56.57 -39.19 60.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.691 -0.231 . . . . 20.0 111.204 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.76 3.0 0.01 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.287 -0.415 . . . . 20.0 111.909 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 m 57.7 28.26 15.55 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.972 0.892 . . . . 20.0 110.045 -173.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.6 t -168.69 153.25 5.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.919 -1.037 . . . . 20.0 108.657 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.34 118.77 37.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.48 0.181 . . . . 20.0 110.79 -176.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 55.1 63.59 2.07 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.897 0.748 . . . . 20.0 112.101 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -70.84 121.59 84.36 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.092 -0.503 . . . . 20.0 109.706 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.56 -34.48 98.86 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.9 2.4 . . . . 20.0 112.227 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? 47.92 80.32 0.3 Allowed Pre-proline 0 N--CA 1.466 0.336 0 O-C-N 123.878 0.736 . . . . 20.0 111.328 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -58.49 128.17 27.39 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.353 2.035 . . . . 20.0 111.852 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.55 132.56 50.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.874 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.9 pt -96.43 144.77 28.41 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.771 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -64.53 158.06 51.81 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.86 2.374 . . . . 20.0 111.317 177.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -66.42 -16.39 64.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.885 -0.598 . . . . 20.0 111.796 -173.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.44 -38.07 86.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 20.0 110.331 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -68.72 -43.68 75.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.012 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.25 -42.73 94.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 20.0 110.544 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.48 -42.57 98.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.986 -0.552 . . . . 20.0 110.576 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -67.16 -41.34 86.18 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 120.865 -0.334 . . . . 20.0 110.134 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -55.07 -46.11 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.994 -0.548 . . . . 20.0 110.131 -179.109 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.5 mmt -66.12 -39.54 89.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.203 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.02 97.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.106 0.479 . . . . 20.0 110.808 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -76.75 -29.21 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.57 -0.741 . . . . 20.0 110.299 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -75.93 -46.74 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.19 -0.913 . . . . 20.0 111.573 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -71.5 -9.88 58.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 20.0 111.466 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.08 67.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.457 -0.338 . . . . 20.0 110.764 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HG2' ' HB3' ' A' ' 59' ' ' GLU . 33.2 mtmm -67.98 -19.57 64.96 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.131 -0.486 . . . . 20.0 111.147 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 42.5 ttm -67.77 -30.42 69.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.214 0.53 . . . . 20.0 109.863 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -96.56 -59.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.607 -0.724 . . . . 20.0 109.985 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 tptm 176.44 113.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.638 -0.71 . . . . 20.0 109.866 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.464 ' HB3' ' HG2' ' A' ' 55' ' ' LYS . 9.8 tp10 -146.01 152.42 39.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.68 -0.489 . . . . 20.0 109.68 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -70.46 149.28 47.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.545 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.0 p -76.51 75.42 3.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.115 -0.493 . . . . 20.0 109.883 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -67.65 100.43 0.89 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.845 -0.616 . . . . 20.0 109.903 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.166 -0.921 . . . . 20.0 109.681 -178.762 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.041 0.448 . . . . 20.0 109.992 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -83.79 -36.91 23.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.489 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -93.11 130.92 38.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.004 -0.543 . . . . 20.0 109.922 176.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -118.76 94.12 4.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.217 0.532 . . . . 20.0 111.452 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.33 -1.72 15.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.801 -0.636 . . . . 20.0 109.697 173.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -130.48 33.57 4.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.388 -0.824 . . . . 20.0 109.729 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -40.8 114.98 0.52 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.657 -0.701 . . . . 20.0 112.569 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.34 -3.83 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.8 -0.637 . . . . 20.0 110.024 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -80.6 -26.67 37.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.688 -0.687 . . . . 20.0 109.984 173.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -80.15 94.36 5.99 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.149 -0.686 . . . . 20.0 109.149 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -128.43 162.21 27.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.169 -0.469 . . . . 20.0 109.847 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.41 41.53 22.74 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.403 0.62 . . . . 20.0 110.467 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.675 HD23 ' H ' ' A' ' 5' ' ' LEU . 1.7 pt? -98.94 46.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.666 0.746 . . . . 20.0 109.699 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -106.38 126.63 29.98 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.231 -0.895 . . . . 20.0 110.619 -177.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -63.59 158.8 43.92 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.955 2.437 . . . . 20.0 112.061 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.8 ttt -78.11 72.69 4.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.403 0.62 . . . . 20.0 110.346 -177.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 m -133.65 145.33 33.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.404 -0.816 . . . . 20.0 109.561 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 p -143.41 122.9 13.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.525 0.202 . . . . 20.0 110.797 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -83.67 85.91 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.023 0.44 . . . . 20.0 110.564 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -85.07 54.3 3.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.748 0.785 . . . . 20.0 110.461 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -89.31 40.76 1.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.519 -0.764 . . . . 20.0 110.902 -175.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.4 p -98.99 76.87 2.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.317 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.621 HD12 ' H ' ' A' ' 15' ' ' ILE . 4.4 mp -71.5 104.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.845 -0.616 . . . . 20.0 109.799 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -37.54 87.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.716 -0.675 . . . . 20.0 111.001 -175.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.94 -45.54 94.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.421 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.581 ' H ' HG22 ' A' ' 15' ' ' ILE . 31.6 tp10 -64.93 -43.15 93.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.67 -0.696 . . . . 20.0 110.265 -177.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -74.29 -15.15 60.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 20.0 111.326 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.8 m -90.2 -40.97 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.949 0.404 . . . . 20.0 110.067 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -73.4 -35.49 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.872 -0.603 . . . . 20.0 111.795 -174.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -62.66 -32.3 73.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.051 0.453 . . . . 20.0 109.969 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -67.03 -36.67 82.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -73.03 -35.52 66.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.78 -0.645 . . . . 20.0 109.975 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.98 -38.26 90.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.834 -0.621 . . . . 20.0 110.264 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.66 -35.5 67.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.465 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.45 73.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.992 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -63.95 -27.31 69.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.798 -0.637 . . . . 20.0 110.039 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.0 t -89.02 -56.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.804 -0.634 . . . . 20.0 110.531 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.11 94.59 2.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.949 -0.569 . . . . 20.0 110.549 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -82.54 -24.73 33.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.436 0.636 . . . . 20.0 110.104 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 m 55.26 39.6 31.38 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 114.922 -1.035 . . . . 20.0 111.06 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.5 tp -97.65 -28.23 14.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.892 -0.595 . . . . 20.0 110.354 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -142.3 55.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.428 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.545 ' OD2' ' HB3' ' A' ' 37' ' ' ARG . 8.7 p-10 -99.04 124.38 45.61 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.616 -0.72 . . . . 20.0 110.469 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -76.43 61.81 6.84 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.632 2.221 . . . . 20.0 111.031 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.545 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . 7.6 ttp180 -121.78 94.38 48.34 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.144 -0.934 . . . . 20.0 110.353 -176.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -81.1 52.97 4.55 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.64 2.227 . . . . 20.0 112.071 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -141.65 42.12 1.72 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.764 -0.653 . . . . 20.0 110.644 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.86 117.25 59.58 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.618 -0.719 . . . . 20.0 109.684 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -59.78 119.84 7.3 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.621 2.214 . . . . 20.0 112.661 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -70.11 -19.66 63.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 20.0 109.892 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.66 -25.01 67.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.606 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' OE1' ' HD2' ' A' ' 47' ' ' ARG . 8.2 tp10 -64.32 -35.83 82.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.171 0.51 . . . . 20.0 110.088 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.53 -43.91 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 20.0 110.399 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.2 -35.74 81.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 20.0 109.957 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HD2' ' OE1' ' A' ' 44' ' ' GLU . 44.2 ttm180 -64.29 -37.43 87.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.526 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 48' ' ' ARG . 7.1 tpt180 -71.21 -32.52 68.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.753 0.311 . . . . 20.0 110.501 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.4 mmt -70.38 -25.47 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.524 0.678 . . . . 20.0 109.776 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.27 -6.37 56.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.078 -0.965 . . . . 20.0 111.555 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' HA ' ' HB3' ' A' ' 54' ' ' ALA . 12.7 pt-20 -47.36 -32.78 5.18 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.508 0.559 . . . . 20.0 112.508 -174.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -58.92 -52.74 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 20.0 111.043 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -77.24 -25.05 51.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.394 0.616 . . . . 20.0 110.236 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -68.96 -15.2 63.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.45 -0.796 . . . . 20.0 111.485 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -63.47 -27.84 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.068 0.461 . . . . 20.0 109.84 175.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.496 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.5 mmt -90.9 10.56 25.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.578 -0.737 . . . . 20.0 111.759 -176.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 7.9 ptp85 -62.38 -32.83 73.7 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.281 -0.262 . . . . 20.0 111.481 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 61' ' ' SER . 25.3 pttm -105.35 66.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.459 0.647 . . . . 20.0 111.416 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 56' ' ' MET . 44.1 mt-10 -80.43 -52.45 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.817 -0.629 . . . . 20.0 109.381 174.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -121.71 -53.24 1.99 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.537 -0.756 . . . . 20.0 109.185 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.622 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 26.1 t -87.51 147.37 25.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.485 -0.78 . . . . 20.0 109.768 177.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -86.35 -0.24 55.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.524 0.678 . . . . 20.0 109.967 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.129 -0.941 . . . . 20.0 109.127 173.876 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 16.7 ttt . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.931 0.396 . . . . 20.0 110.529 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -111.39 139.26 46.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 20.0 109.764 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -119.43 157.54 28.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.996 0.427 . . . . 20.0 111.034 -175.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -162.72 -19.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.732 -0.667 . . . . 20.0 110.708 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -165.25 59.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.863 -1.162 . . . . 20.0 107.863 -177.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -121.1 30.09 7.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.934 -1.03 . . . . 20.0 111.467 -165.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.04 109.23 3.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.433 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -91.07 0.87 57.44 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.495 0.664 . . . . 20.0 110.561 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -88.01 -12.8 43.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.759 -0.655 . . . . 20.0 112.011 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.528 ' OD1' ' HD3' ' A' ' 3' ' ' ARG . 9.6 p30 -93.59 178.26 5.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.101 -0.333 . . . . 20.0 110.101 176.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.528 ' HD3' ' OD1' ' A' ' 2' ' ' ASN . 5.4 mpt_? 74.71 141.36 0.07 Allowed 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.729 0.643 . . . . 20.0 110.364 -172.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.3 31.34 20.74 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.109 -0.496 . . . . 20.0 110.87 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.4 tp -123.11 76.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.412 0.625 . . . . 20.0 109.887 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -102.52 114.79 65.19 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.64 -0.709 . . . . 20.0 110.018 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 8' ' ' MET . 40.8 Cg_exo -55.65 137.27 77.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.347 2.031 . . . . 20.0 110.787 175.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 64.0 mtm 69.78 75.04 0.23 Allowed 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.866 0.729 . . . . 20.0 109.734 -172.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.6 m -59.21 137.26 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.653 -0.703 . . . . 20.0 111.362 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.2 m 63.63 23.44 13.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.507 -0.769 . . . . 20.0 111.021 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 8' ' ' MET . 40.5 mt-10 -142.8 49.83 1.47 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 20.0 110.336 179.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -79.44 136.9 37.06 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.516 -0.55 . . . . 20.0 109.516 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 58.48 73.1 0.49 Allowed 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.675 0.61 . . . . 20.0 110.384 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -120.82 77.47 1.29 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.416 0.627 . . . . 20.0 110.893 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.34 112.14 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.468 -0.787 . . . . 20.0 110.498 -177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -66.04 -35.54 80.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.697 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -56.48 -35.49 68.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 20.0 110.813 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -72.68 -34.77 67.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.135 0.493 . . . . 20.0 110.632 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -87.77 -25.7 23.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.884 -0.598 . . . . 20.0 111.061 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.3 m -90.07 -11.59 40.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.417 -0.356 . . . . 20.0 111.257 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.39 -35.0 69.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.444 -0.343 . . . . 20.0 110.994 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.582 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 21.7 p30 -62.87 -27.91 69.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.491 -0.322 . . . . 20.0 111.272 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' OE1' ' HD3' ' A' ' 26' ' ' ARG . 7.8 tp10 -74.65 -40.28 61.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.143 0.497 . . . . 20.0 109.722 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -67.37 -26.71 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.248 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.2 tm? -71.0 -37.69 72.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.811 -0.632 . . . . 20.0 109.626 177.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 63.3 mtp180 -66.01 -19.02 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.058 0.456 . . . . 20.0 110.69 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.85 -14.19 62.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.722 -0.672 . . . . 20.0 111.462 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 57.2 pttt -76.36 -19.2 58.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.019 0.438 . . . . 20.0 110.138 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -82.15 -37.87 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.437 0.637 . . . . 20.0 109.708 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.54 167.69 17.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.26 -0.882 . . . . 20.0 109.361 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -80.28 54.91 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.215 1.007 . . . . 20.0 110.529 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.7 m -121.91 55.12 1.13 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.182 -0.917 . . . . 20.0 109.33 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -95.31 129.98 42.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.444 -0.798 . . . . 20.0 110.152 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.61 91.58 6.98 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.838 -0.43 . . . . 20.0 109.838 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -59.96 149.37 73.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.598 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.88 78.06 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.963 2.442 . . . . 20.0 112.29 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -119.56 127.56 26.37 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 115.555 -0.748 . . . . 20.0 109.26 177.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -77.87 48.08 2.53 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.81 2.34 . . . . 20.0 112.447 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -166.41 93.56 0.5 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.439 -0.8 . . . . 20.0 110.355 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.7 mt -101.03 116.11 64.4 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 115.958 -0.564 . . . . 20.0 109.571 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.54 119.67 6.81 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.265 1.977 . . . . 20.0 111.825 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.705 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 12.7 p-80 -66.01 -27.35 68.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.162 -178.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -60.73 -26.92 67.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.118 -0.492 . . . . 20.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.86 -36.08 79.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.722 -0.672 . . . . 20.0 110.138 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 t -91.29 -27.63 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.401 -0.818 . . . . 20.0 111.388 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.705 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 34.5 mm-40 -50.56 -34.55 26.1 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.04 -0.527 . . . . 20.0 112.198 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -57.08 -30.83 64.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 20.0 111.159 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -91.23 -39.98 11.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.168 0.508 . . . . 20.0 110.186 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.6 mmt -64.72 -40.56 95.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.775 -0.648 . . . . 20.0 111.381 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.26 -28.84 68.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.946 0.403 . . . . 20.0 111.164 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -80.41 -46.01 16.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.649 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 4.8 mmp_? -68.4 -45.49 72.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.068 -0.514 . . . . 20.0 111.156 -177.03 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.557 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 23.7 m-85 -72.36 -19.69 61.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.183 -0.462 . . . . 20.0 111.36 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.67 78.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.094 0.473 . . . . 20.0 110.479 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.88 -28.49 62.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.664 -0.698 . . . . 20.0 110.751 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 63.0 mtt -91.42 6.09 46.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.78 -0.646 . . . . 20.0 111.505 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 63.9 mtp180 -87.79 -21.04 25.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.04 0.385 . . . . 20.0 112.04 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -160.81 142.39 12.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.84 0.352 . . . . 20.0 110.953 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -92.52 153.09 19.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.622 -0.717 . . . . 20.0 110.355 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.503 ' HD2' ' N ' ' A' ' 60' ' ' ARG . 4.5 mpt_? -92.43 155.77 17.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 20.0 109.674 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 p -77.64 56.09 1.42 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.337 0.589 . . . . 20.0 110.413 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -86.67 107.22 18.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.671 -0.695 . . . . 20.0 110.316 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.367 -0.825 . . . . 20.0 109.194 -179.594 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.634 0.254 . . . . 20.0 110.717 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -138.18 99.33 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.813 0.34 . . . . 20.0 110.531 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -131.97 89.35 2.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.328 -0.396 . . . . 20.0 110.022 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 62.6 tttp 57.68 84.41 0.1 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.862 0.726 . . . . 20.0 110.208 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.29 118.06 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.679 -0.692 . . . . 20.0 112.487 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -114.88 -21.9 9.89 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.096 -0.956 . . . . 20.0 108.569 172.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.27 -53.39 49.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.557 -1.201 . . . . 20.0 111.789 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.76 -30.3 51.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.094 0.473 . . . . 20.0 110.503 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -37.76 84.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.604 -0.725 . . . . 20.0 110.894 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 66.33 160.47 0.14 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.322 0.582 . . . . 20.0 111.577 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -126.84 141.24 51.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.51 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.5 -79.75 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.993 0.808 . . . . 20.0 112.284 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.0 mt -128.17 122.71 32.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.887 0.375 . . . . 20.0 110.958 -175.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -88.91 154.94 50.15 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.126 -0.694 . . . . 20.0 109.126 174.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.25 50.91 0.99 Allowed 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.17 2.58 . . . . 20.0 112.619 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -170.48 55.93 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.551 -0.749 . . . . 20.0 109.388 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.9 m -89.48 137.09 22.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 20.0 111.273 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 t 62.95 43.21 6.89 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.566 -0.743 . . . . 20.0 111.144 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.65 101.58 4.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 20.0 110.082 176.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -81.73 76.18 8.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.308 -0.405 . . . . 20.0 111.258 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.94 -52.77 25.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.77 -0.826 . . . . 20.0 108.77 174.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.6 p 44.72 57.62 4.42 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.07 -0.968 . . . . 20.0 112.525 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.05 -30.47 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.322 -0.399 . . . . 20.0 110.886 -175.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.17 -44.04 89.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.256 0.55 . . . . 20.0 110.001 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -68.35 -40.48 81.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.55 -0.75 . . . . 20.0 110.217 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -69.63 -25.9 64.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.873 -0.603 . . . . 20.0 111.488 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -65.73 -38.84 90.27 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.927 -0.309 . . . . 20.0 110.175 175.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.6 m -79.57 -33.27 41.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.06 0.457 . . . . 20.0 110.366 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -66.48 -34.93 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 20.0 109.775 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.08 -37.45 77.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.446 -0.797 . . . . 20.0 111.503 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.41 -40.77 96.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.132 0.491 . . . . 20.0 110.193 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -71.61 -34.75 70.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 20.0 109.934 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD11 ' HD3' ' A' ' 28' ' ' LYS . 25.0 tp -70.09 -11.71 61.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.441 -0.799 . . . . 20.0 111.094 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' O ' HG12 ' A' ' 29' ' ' VAL . 56.8 ttt180 -67.53 -18.09 64.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.108 0.48 . . . . 20.0 110.709 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.46 -23.33 50.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.17 0.51 . . . . 20.0 110.591 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.593 ' O ' HG22 ' A' ' 31' ' ' THR . 56.8 tttm -76.53 -24.31 53.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.716 -0.675 . . . . 20.0 111.013 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 26' ' ' ARG . 9.9 p -80.39 -9.1 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.35 0.595 . . . . 20.0 110.275 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.0 7.23 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.787 -0.642 . . . . 20.0 111.436 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 28' ' ' LYS . 14.2 t -82.23 -167.23 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.311 -178.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -56.54 138.64 51.57 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 110.046 -0.354 . . . . 20.0 110.046 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.61 120.25 11.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.137 0.494 . . . . 20.0 110.881 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.469 ' O ' ' HD3' ' A' ' 36' ' ' PRO . . . -137.37 141.4 41.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.465 -0.789 . . . . 20.0 109.272 175.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -112.77 92.67 21.16 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.726 0.298 . . . . 20.0 111.185 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.651 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 7.3 Cg_exo -72.85 124.45 9.69 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.717 2.278 . . . . 20.0 110.504 174.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 36' ' ' PRO . 34.4 ptt180 55.0 116.13 0.01 OUTLIER Pre-proline 0 N--CA 1.477 0.88 0 O-C-N 124.616 1.197 . . . . 20.0 111.712 -175.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.99 1.89 4.17 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.638 2.225 . . . . 20.0 113.693 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.63 40.13 13.69 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.848 -0.615 . . . . 20.0 111.229 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 pt -86.36 131.89 44.74 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.757 -0.656 . . . . 20.0 111.126 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.18 118.97 5.91 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.711 2.274 . . . . 20.0 111.458 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -85.52 -38.29 18.71 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.004 -0.278 . . . . 20.0 111.669 -172.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.665 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 15.0 t70 -62.65 -47.3 84.3 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.623 0.249 . . . . 20.0 110.836 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 17.6 tp10 -56.19 -46.39 79.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.87 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.11 -42.9 85.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.097 -0.501 . . . . 20.0 111.02 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -59.73 -39.95 86.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.681 . . . . 20.0 111.494 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 22.2 mmt180 -73.15 -29.95 63.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.794 0.33 . . . . 20.0 110.607 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 92.7 mtt180 -72.56 -42.66 64.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.051 0.453 . . . . 20.0 110.078 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 89.8 mmm -67.71 -27.7 67.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.777 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.89 -41.99 79.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 20.0 111.353 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.06 -28.5 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 20.0 110.621 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -75.94 -44.64 39.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.748 -0.66 . . . . 20.0 109.735 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -67.81 -23.3 65.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.489 -0.778 . . . . 20.0 110.88 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.54 71.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 20.0 111.09 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -84.49 -19.65 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.117 0.484 . . . . 20.0 110.568 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.2 mtp -76.21 -10.54 59.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.969 -0.559 . . . . 20.0 110.351 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -72.28 -6.25 41.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.627 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 73.16 170.08 0.31 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.529 -0.76 . . . . 20.0 111.758 174.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.17 119.92 39.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.495 -0.775 . . . . 20.0 110.724 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -65.83 -39.22 90.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 20.0 110.271 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.3 t -79.57 111.83 16.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.856 -0.611 . . . . 20.0 109.751 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -92.34 120.21 32.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.124 -0.325 . . . . 20.0 110.124 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.511 -0.757 . . . . 20.0 110.514 -178.518 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 51.4 ttm . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.781 0.324 . . . . 20.0 110.341 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -84.11 66.56 9.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.443 0.639 . . . . 20.0 110.622 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -148.8 105.97 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.525 -0.761 . . . . 20.0 109.914 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -99.75 -10.78 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.77 -0.456 . . . . 20.0 109.77 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 63.99 -179.69 0.16 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.129 -0.941 . . . . 20.0 111.114 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -97.4 -37.06 10.16 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.773 -0.825 . . . . 20.0 108.773 172.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 30.3 t70 55.71 92.25 0.03 OUTLIER 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.039 -0.982 . . . . 20.0 112.117 173.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -83.87 -4.32 58.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.146 -0.933 . . . . 20.0 110.696 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.84 -16.84 49.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.969 -0.56 . . . . 20.0 110.651 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 91.8 m-20 64.91 53.9 1.37 Allowed 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.157 -0.929 . . . . 20.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -53.15 -44.24 67.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.659 -0.7 . . . . 20.0 111.565 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.17 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 20.0 111.564 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.482 ' HB2' ' HB3' ' A' ' 2' ' ' ASN . 88.0 mt -105.09 15.29 27.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.095 0.474 . . . . 20.0 110.472 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 m -129.28 90.74 43.89 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.694 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -68.36 -22.04 40.14 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.56 2.173 . . . . 20.0 111.29 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.2 mtt 71.37 150.21 0.09 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.136 -0.938 . . . . 20.0 112.184 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -157.14 133.03 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.444 -0.798 . . . . 20.0 109.889 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.1 m -152.63 137.96 17.53 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.959 -0.386 . . . . 20.0 109.959 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 11' ' ' GLU . 25.0 mp0 -70.55 112.78 7.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.241 -0.436 . . . . 20.0 110.421 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.663 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 38.7 t80 64.85 174.36 0.2 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 123.752 0.658 . . . . 20.0 110.742 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 9.0 pt-20 66.89 -45.09 0.45 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.592 1.557 . . . . 20.0 113.305 174.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.5 p -127.82 71.78 1.38 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.313 0.578 . . . . 20.0 110.957 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -107.64 124.74 63.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.514 -0.766 . . . . 20.0 109.63 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.64 -47.82 83.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.439 -0.801 . . . . 20.0 112.265 -176.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -68.96 -28.1 66.32 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.729 -0.388 . . . . 20.0 110.819 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -70.65 -43.09 69.89 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.086 -0.709 . . . . 20.0 109.086 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.45 -24.85 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 20.0 110.061 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 m -71.44 -27.43 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.824 -0.625 . . . . 20.0 110.401 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -77.66 -23.29 49.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.536 -0.302 . . . . 20.0 110.654 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.43 -36.67 83.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.552 0.692 . . . . 20.0 109.382 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.7 -41.5 83.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.995 -1.002 . . . . 20.0 110.437 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.479 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 92.0 m95 -68.72 -30.84 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.702 176.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 28' ' ' LYS . 51.0 tp -65.65 -43.32 89.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.367 -0.378 . . . . 20.0 110.229 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -70.56 -25.84 63.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.949 0.404 . . . . 20.0 110.461 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.62 -16.65 60.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 20.0 111.1 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HA ' ' OG1' ' A' ' 31' ' ' THR . 67.3 mttm -69.36 -10.61 58.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 20.0 111.255 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.54 -33.59 53.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.158 0.504 . . . . 20.0 110.426 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.48 63.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 20.0 110.896 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 28' ' ' LYS . 3.6 m -82.96 68.44 9.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.226 0.536 . . . . 20.0 110.604 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 m -90.73 76.83 6.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.63 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 pp -101.77 8.9 41.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.244 0.545 . . . . 20.0 110.718 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 64.19 64.13 0.75 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 114.68 -1.146 . . . . 20.0 111.939 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -108.06 110.68 62.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 121.293 0.568 . . . . 20.0 110.12 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.88 -9.91 14.25 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.511 2.14 . . . . 20.0 112.454 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -125.48 126.35 25.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.384 -0.371 . . . . 20.0 110.749 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.61 91.78 0.78 Allowed 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.393 2.062 . . . . 20.0 110.945 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.3 138.49 37.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.877 -0.602 . . . . 20.0 110.865 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.5 mt -74.0 118.8 72.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.949 -0.568 . . . . 20.0 109.555 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.63 118.93 5.83 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.233 1.956 . . . . 20.0 111.726 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.634 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 62.8 m170 -71.69 -25.09 61.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 20.0 110.356 -178.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -62.72 -29.48 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.517 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.35 -42.24 79.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.798 -0.637 . . . . 20.0 109.752 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.15 -35.86 73.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.194 -0.912 . . . . 20.0 110.596 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 34.7 mt-10 -57.36 -32.77 67.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 20.0 111.684 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -71.14 -25.89 62.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.021 0.439 . . . . 20.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 48' ' ' ARG . 3.3 mmp_? -89.96 -41.27 11.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.414 0.625 . . . . 20.0 110.154 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.594 ' SD ' ' HD3' ' A' ' 52' ' ' ARG . 39.4 tpp -67.14 -18.81 65.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.238 -0.892 . . . . 20.0 110.338 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.47 -38.49 44.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.372 -0.831 . . . . 20.0 111.76 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.7 -37.85 85.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 20.0 111.054 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.594 ' HD3' ' SD ' ' A' ' 49' ' ' MET . 53.4 mtp180 -75.72 -39.42 57.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 20.0 110.329 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -62.33 -44.63 96.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.36 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.95 99.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.17 -0.468 . . . . 20.0 111.398 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -68.01 -33.52 74.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.733 0.301 . . . . 20.0 111.226 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 56.2 ttp -76.47 -38.96 54.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.236 0.541 . . . . 20.0 110.301 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -72.06 -20.41 61.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.426 -0.806 . . . . 20.0 110.348 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 36.9 mtmm 59.43 43.64 16.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.372 -1.285 . . . . 20.0 112.235 172.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 46.6 mt-10 74.72 114.58 0.06 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 124.124 0.89 . . . . 20.0 111.645 178.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -69.81 -25.67 63.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.689 . . . . 20.0 111.225 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.6 p -121.61 40.71 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.131 0.491 . . . . 20.0 110.747 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 63.9 tttp -60.58 134.5 57.14 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.567 -0.742 . . . . 20.0 111.348 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.493 -0.765 . . . . 20.0 109.863 176.054 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 92.5 mtp . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.517 0.199 . . . . 20.0 110.708 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 54.75 73.55 0.4 Allowed 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.066 -0.516 . . . . 20.0 111.742 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -79.24 86.99 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.954 0.407 . . . . 20.0 110.192 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -122.64 130.36 52.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.091 -0.504 . . . . 20.0 110.254 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -165.15 -52.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.964 0.411 . . . . 20.0 110.458 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -92.43 -65.69 0.98 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.927 -0.579 . . . . 20.0 109.763 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' ASP . . . . . 0.41 ' HA ' ' OD1' ' A' ' 2' ' ' ASN . 1.0 OUTLIER 66.42 -1.42 1.25 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.935 -1.03 . . . . 20.0 112.779 172.783 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -91.79 -39.65 11.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.254 0.55 . . . . 20.0 110.396 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -85.67 -5.61 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.738 -0.665 . . . . 20.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.41 ' OD1' ' HA ' ' A' ' -1' ' ' ASP . 7.1 p30 -130.54 -159.54 0.97 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 20.0 109.827 177.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 67.17 42.52 2.29 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.572 0.701 . . . . 20.0 109.19 -174.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.43 166.48 21.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.957 -1.02 . . . . 20.0 111.111 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 58.19 42.12 22.55 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.308 0.575 . . . . 20.0 110.422 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -120.79 122.33 28.51 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.535 -0.757 . . . . 20.0 109.612 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.18 -30.45 64.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.626 2.217 . . . . 20.0 111.996 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 ttt 50.69 57.97 6.04 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.618 0.723 . . . . 20.0 110.554 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.7 m -120.95 174.19 5.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.36 -0.837 . . . . 20.0 110.601 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 m 62.23 47.53 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.596 0.56 . . . . 20.0 110.835 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -85.72 73.11 10.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.849 0.833 . . . . 20.0 109.933 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -82.13 136.25 35.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.018 -0.992 . . . . 20.0 110.638 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 62.95 -92.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.784 0.678 . . . . 20.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p 49.62 -159.52 0.07 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.398 0.679 . . . . 20.0 111.568 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -91.56 -24.43 5.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.117 -0.697 . . . . 20.0 109.117 171.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -51.29 -45.66 62.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.989 -1.005 . . . . 20.0 112.362 -174.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -59.55 -44.96 93.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 20.0 110.783 -175.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -78.56 -37.9 41.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 20.0 110.947 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -64.27 -40.89 96.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.297 -0.411 . . . . 20.0 110.677 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.3 p -72.64 -21.35 61.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.582 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -72.32 -36.86 68.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.524 -0.547 . . . . 20.0 109.524 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -66.1 -39.08 89.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 20.0 109.837 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.72 -36.39 83.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 20.0 109.686 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -67.75 -32.92 73.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 20.0 110.61 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.54 -30.03 69.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.233 0.54 . . . . 20.0 109.999 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -79.99 -24.92 40.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.757 -0.656 . . . . 20.0 110.25 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.26 -15.51 60.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.201 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -72.47 -31.74 65.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.927 -0.768 . . . . 20.0 108.927 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.5 t -74.5 -50.24 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.234 -0.893 . . . . 20.0 110.216 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.64 87.8 2.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.606 . . . . 20.0 109.67 177.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.0 m -82.19 -12.14 58.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.926 -0.579 . . . . 20.0 111.54 -172.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -101.63 33.21 3.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.524 0.678 . . . . 20.0 109.682 177.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.99 -36.02 82.6 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.301 -0.863 . . . . 20.0 109.515 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 67.7 -78.59 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.16 -0.927 . . . . 20.0 112.244 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -124.22 135.59 26.61 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.978 -0.379 . . . . 20.0 109.978 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.95 10.93 1.26 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.738 2.292 . . . . 20.0 112.567 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 70.29 97.66 0.04 OUTLIER Pre-proline 0 N--CA 1.461 0.099 0 O-C-N 124.253 0.97 . . . . 20.0 110.694 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -75.69 42.47 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.964 2.442 . . . . 20.0 112.115 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -170.38 76.49 0.08 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.844 -1.071 . . . . 20.0 108.716 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.453 HD12 ' H ' ' A' ' 40' ' ' ILE . 4.5 mp -78.2 119.15 76.23 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.78 -0.645 . . . . 20.0 110.121 -176.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.478 ' O ' HG23 ' A' ' 45' ' ' VAL . 30.5 Cg_endo -65.48 148.38 87.73 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.788 2.325 . . . . 20.0 111.74 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -64.93 -23.24 67.16 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.936 -0.574 . . . . 20.0 112.332 -170.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.43 -41.02 80.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 20.0 110.269 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -79.91 -32.36 40.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.753 -0.658 . . . . 20.0 110.727 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 41' ' ' PRO . 82.0 t -55.45 -47.09 78.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.883 0.373 . . . . 20.0 110.258 176.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.75 -45.2 92.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.684 -0.689 . . . . 20.0 110.489 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -60.93 -45.28 95.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.955 -0.566 . . . . 20.0 110.231 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -64.37 -37.5 87.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.029 -0.532 . . . . 20.0 111.057 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 mmt -72.69 -34.57 67.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.539 -0.3 . . . . 20.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.74 92.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.096 0.474 . . . . 20.0 109.924 174.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 21.9 mm-40 -68.03 -30.0 69.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.597 -0.729 . . . . 20.0 110.666 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 56' ' ' MET . 9.9 tpt180 -61.17 -52.63 64.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.659 . . . . 20.0 110.266 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 82.2 t80 -70.27 -30.07 67.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.889 -177.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.81 -66.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.279 -0.419 . . . . 20.0 112.059 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 20.1 pttm -74.76 -43.78 53.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 20.0 111.514 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 66.5 mtt -83.69 12.04 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.48 -0.327 . . . . 20.0 111.332 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 25.5 ttm180 -49.96 -40.47 44.01 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.454 0.645 . . . . 20.0 109.49 172.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HB3' ' OXT' ' A' ' 63' ' ' GLN . 99.3 mttt -131.19 -37.53 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.177 -0.92 . . . . 20.0 110.616 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -171.32 -79.26 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 110.341 -0.244 . . . . 20.0 110.341 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -124.21 -43.46 2.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.061 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.3 t -163.14 97.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.971 -0.291 . . . . 20.0 110.962 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 51.1 75.6 0.19 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.574 0.546 . . . . 20.0 111.722 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.446 ' OXT' ' HB3' ' A' ' 58' ' ' LYS . 47.5 mt-30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.428 -0.796 . . . . 20.0 110.784 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.97 0.414 . . . . 20.0 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -6' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' -5' ' ' TYR . 1.7 p-10 -148.95 -83.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 20.0 110.927 -177.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -5' ' ' TYR . . . . . 0.422 ' H ' ' CG ' ' A' ' -6' ' ' ASP . 97.1 m-85 -144.45 53.83 1.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.467 -0.568 . . . . 20.0 109.467 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' -4' ' ' LYS . 0.1 OUTLIER -85.87 -77.19 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.385 -0.37 . . . . 20.0 110.855 -174.802 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -119.46 62.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.172 0.511 . . . . 20.0 110.052 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 2' ' ' ASN . 20.7 m-20 -55.73 -63.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.161 -0.927 . . . . 20.0 111.853 -173.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -93.87 -16.18 24.3 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.976 -0.29 . . . . 20.0 110.879 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.81 -67.36 0.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 20.0 111.965 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -82.06 -16.53 49.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.322 0.489 . . . . 20.0 112.322 -172.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' -2' ' ' ASP . 48.8 m-80 -89.28 -65.24 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.85 -0.34 . . . . 20.0 110.727 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 66.45 177.89 0.22 Allowed 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.613 0.571 . . . . 20.0 111.302 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.75 174.54 0.25 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.826 -0.625 . . . . 20.0 110.797 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mp -113.29 70.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.174 0.512 . . . . 20.0 110.722 -177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -112.89 92.96 22.39 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.686 -0.688 . . . . 20.0 109.773 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.63 -167.27 0.42 Allowed 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.727 2.285 . . . . 20.0 112.638 -176.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 64.39 44.07 4.36 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.899 -0.591 . . . . 20.0 110.446 -177.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.97 101.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.55 -0.75 . . . . 20.0 109.342 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -141.26 -2.04 1.3 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.299 -0.41 . . . . 20.0 111.09 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -82.94 75.6 9.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.385 0.612 . . . . 20.0 110.309 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -108.13 27.07 9.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.609 -0.723 . . . . 20.0 109.703 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.04 39.12 23.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.325 -0.852 . . . . 20.0 110.905 -176.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -133.57 42.92 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.104 -0.953 . . . . 20.0 110.406 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.3 mm -106.16 -20.84 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 20.0 110.382 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -34.0 70.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.857 -178.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -60.52 -34.29 73.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.903 -0.59 . . . . 20.0 111.273 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.27 -30.96 25.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.067 0.46 . . . . 20.0 110.376 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -68.49 -15.49 63.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.517 -0.765 . . . . 20.0 110.47 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -57.49 -12.0 2.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.79 -0.641 . . . . 20.0 112.109 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -64.05 -25.91 68.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.715 0.293 . . . . 20.0 110.383 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -65.2 -34.61 78.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.28 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.64 -48.2 82.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.583 -0.735 . . . . 20.0 110.515 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -77.23 -25.78 51.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.946 0.403 . . . . 20.0 110.333 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -63.48 -48.12 78.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.057 -0.519 . . . . 20.0 109.85 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.44 ' O ' HG12 ' A' ' 29' ' ' VAL . 39.6 ptt180 -72.52 -11.21 60.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.025 0.441 . . . . 20.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.31 -30.94 25.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.244 0.545 . . . . 20.0 110.14 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -90.8 -15.8 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.659 -0.7 . . . . 20.0 111.358 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 26' ' ' ARG . 5.1 p -70.86 -19.7 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.413 0.625 . . . . 20.0 109.521 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.53 67.64 1.48 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.336 -0.847 . . . . 20.0 109.599 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.3 t -103.73 35.17 2.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.669 -0.696 . . . . 20.0 110.465 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.8 m 73.26 149.61 0.1 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.442 -0.799 . . . . 20.0 111.043 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.3 mt -115.12 -18.61 11.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.143 -0.481 . . . . 20.0 110.607 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.94 173.15 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.088 -0.505 . . . . 20.0 110.36 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -120.06 90.97 45.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.61 -0.268 . . . . 20.0 110.319 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -76.69 -7.98 17.88 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.525 2.15 . . . . 20.0 112.189 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -131.04 149.71 74.51 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.802 -0.635 . . . . 20.0 109.958 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.65 61.67 6.21 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.816 2.344 . . . . 20.0 111.254 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.67 134.2 45.19 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.381 -0.827 . . . . 20.0 110.925 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.7 mt -67.56 118.98 62.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.609 -0.723 . . . . 20.0 109.589 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.95 119.12 6.1 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.441 2.094 . . . . 20.0 112.398 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 35.3 m170 -72.35 -27.56 62.48 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.036 -0.727 . . . . 20.0 109.036 175.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.652 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 13.6 m-20 -56.82 -32.87 66.16 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.168 -0.924 . . . . 20.0 110.706 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.58 -41.68 86.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.557 . . . . 20.0 110.913 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.0 t -70.03 -39.31 77.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.475 0.655 . . . . 20.0 110.285 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 31.1 mt-10 -74.48 -18.89 60.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.135 -0.939 . . . . 20.0 111.32 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 26.8 mmm180 -54.65 -44.23 73.04 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.689 0.28 . . . . 20.0 110.872 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -68.11 -25.2 65.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.01 -0.541 . . . . 20.0 110.704 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 61.1 mtt -81.76 -43.25 18.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.361 0.601 . . . . 20.0 109.459 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.14 -25.2 66.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.251 -0.886 . . . . 20.0 111.293 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 57.2 mm-40 -56.94 -33.87 67.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.472 . . . . 20.0 111.34 177.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.526 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 4.3 mmp_? -92.03 -42.33 10.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.739 0.305 . . . . 20.0 111.679 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -88.03 -51.29 5.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.22 0.452 . . . . 20.0 112.22 -172.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 58' ' ' LYS . . . -79.33 -14.56 58.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.568 -174.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -90.64 -16.51 28.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.842 0.353 . . . . 20.0 110.469 175.872 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.5 tpt -89.06 -61.59 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.38 . . . . 20.0 110.842 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -105.92 -38.81 6.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.951 -0.3 . . . . 20.0 110.497 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' ALA . 22.8 ttmm 74.62 -39.94 0.43 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.769 -0.65 . . . . 20.0 112.609 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -79.86 44.79 0.66 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.219 0.533 . . . . 20.0 110.848 -177.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -178.04 177.35 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.118 -0.697 . . . . 20.0 109.118 177.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 m 60.38 46.04 10.38 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.549 0.531 . . . . 20.0 111.457 175.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -82.76 -11.79 58.02 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.985 -0.376 . . . . 20.0 109.985 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.254 -0.879 . . . . 20.0 110.611 179.474 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 27.2 ptm . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.58 0.229 . . . . 20.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -156.06 -40.08 0.08 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.72 0.295 . . . . 20.0 110.679 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -149.43 33.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.929 0.871 . . . . 20.0 109.418 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' -4' ' ' LYS . 26.8 tttm -104.29 52.25 0.76 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.528 -0.915 . . . . 20.0 108.528 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.6 t70 59.94 27.16 16.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 114.973 -1.012 . . . . 20.0 109.785 -175.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -78.2 -68.33 0.65 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.766 -0.652 . . . . 20.0 110.351 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 53.91 76.83 0.21 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.531 -0.759 . . . . 20.0 111.678 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -68.97 -31.91 71.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.064 0.459 . . . . 20.0 110.441 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -88.45 -10.15 50.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.628 -0.715 . . . . 20.0 110.37 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.7 m120 59.51 -86.98 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.827 -0.624 . . . . 20.0 110.46 -174.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -135.0 -53.27 0.8 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.574 -0.528 . . . . 20.0 109.574 174.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.65 25.6 1.98 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.943 -0.571 . . . . 20.0 110.413 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -101.14 115.16 29.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.961 -0.563 . . . . 20.0 109.69 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -68.29 117.71 52.22 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.424 -0.353 . . . . 20.0 110.426 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -66.9 100.69 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.497 2.131 . . . . 20.0 111.769 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.3 ttm -147.96 137.66 22.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.133 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.6 t -63.41 103.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.934 0.397 . . . . 20.0 110.778 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 p -79.69 -15.86 56.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -84.44 36.2 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.258 0.552 . . . . 20.0 110.384 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -84.83 153.29 23.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.637 -0.71 . . . . 20.0 109.585 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -143.51 156.39 44.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.481 -0.327 . . . . 20.0 110.523 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -133.02 128.19 35.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.225 0.536 . . . . 20.0 109.936 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.36 121.88 64.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.862 -0.608 . . . . 20.0 110.432 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.71 -35.4 79.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.322 -0.854 . . . . 20.0 110.834 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.2 -30.75 71.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 20.0 111.078 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -77.07 -37.09 55.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.028 0.442 . . . . 20.0 110.458 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -78.26 -30.47 48.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.099 -0.501 . . . . 20.0 110.909 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 p -72.62 -33.8 66.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 20.0 109.975 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -69.69 -37.47 76.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.997 -0.547 . . . . 20.0 109.91 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.533 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 24.8 t-20 -66.84 -37.74 85.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.334 -0.617 . . . . 20.0 109.334 175.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.52 -37.28 86.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.657 -0.701 . . . . 20.0 109.999 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -64.29 -33.48 75.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.393 -0.821 . . . . 20.0 110.09 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -77.61 -36.05 52.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 20.0 109.983 -179.32 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 32.3 mmt180 -60.38 -27.32 67.32 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.574 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.97 -28.21 69.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.989 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -82.69 -34.35 27.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.832 -0.622 . . . . 20.0 110.239 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -72.86 -51.55 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.913 -0.585 . . . . 20.0 110.695 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.83 75.7 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.057 -0.52 . . . . 20.0 110.68 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.5 m -70.36 -47.31 61.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.079 -0.509 . . . . 20.0 110.934 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -152.29 64.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.526 -0.546 . . . . 20.0 109.526 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.1 mt -109.13 19.63 19.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 20.0 111.141 -176.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.56 87.53 2.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.132 0.491 . . . . 20.0 110.198 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.59 122.02 18.55 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.203 -176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -89.1 16.52 1.8 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.056 2.504 . . . . 20.0 113.996 -176.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -141.48 89.22 9.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 121.023 0.44 . . . . 20.0 111.803 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -59.08 109.54 0.55 Allowed 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.43 2.087 . . . . 20.0 110.881 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.92 111.19 6.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 20.0 111.164 -176.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.0 mt -98.43 111.06 59.01 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.857 -0.61 . . . . 20.0 110.342 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HG2' ' HB2' ' A' ' 44' ' ' GLU . 52.7 Cg_endo -77.26 128.07 9.51 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.197 1.931 . . . . 20.0 110.81 176.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -63.82 -22.92 67.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 20.0 110.542 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.75 -32.96 74.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.417 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' HB2' ' HG2' ' A' ' 41' ' ' PRO . 30.0 tt0 -67.48 -40.81 85.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.168 0.508 . . . . 20.0 109.925 176.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.78 -50.74 57.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.709 -0.678 . . . . 20.0 110.771 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.34 -26.21 64.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.148 -0.478 . . . . 20.0 111.768 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -85.03 -65.32 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.91 0.386 . . . . 20.0 111.025 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 33.4 ttm180 -80.52 -58.58 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.948 -0.569 . . . . 20.0 111.601 -170.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 95.7 mmm -62.17 -35.43 78.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.792 -174.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.59 -43.05 89.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.75 0.309 . . . . 20.0 111.033 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.03 -22.18 62.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.016 0.436 . . . . 20.0 110.325 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 30.0 mmm180 -78.15 -39.37 41.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 20.0 109.857 176.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -64.08 -33.14 75.09 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.168 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.92 80.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.979 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.34 -5.25 48.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.942 -0.572 . . . . 20.0 111.036 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.0 mtp -90.76 -26.15 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 20.0 109.808 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -95.34 -42.31 8.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.545 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -100.65 137.9 38.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.136 -0.484 . . . . 20.0 110.518 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 40.91 46.78 2.45 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.379 1.049 . . . . 20.0 112.625 175.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -84.71 170.2 13.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.742 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.9 m 60.2 29.34 18.92 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.985 -0.552 . . . . 20.0 111.291 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -116.98 88.1 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.559 -0.534 . . . . 20.0 109.559 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.7 tm0? . . . . . 0 C--O 1.252 1.212 0 N-CA-C 109.294 -0.632 . . . . 20.0 109.294 179.034 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 17.6 tpt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.193 -0.299 . . . . 20.0 110.193 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.13 81.05 1.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.944 0.402 . . . . 20.0 110.525 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -139.29 56.72 1.67 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 20.0 109.789 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.417 ' O ' ' HD2' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -142.82 152.27 42.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.97 0.414 . . . . 20.0 111.352 -177.377 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.84 -21.67 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.549 . . . . 20.0 110.378 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -98.25 -49.33 4.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.669 -0.696 . . . . 20.0 110.674 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 15.5 t70 73.22 115.66 0.06 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.916 0.76 . . . . 20.0 110.411 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -75.2 0.36 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.403 -0.817 . . . . 20.0 112.95 -169.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.418 ' H ' ' HE3' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -88.41 0.32 56.36 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.651 -0.42 . . . . 20.0 109.873 177.174 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 60.83 32.26 20.09 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.455 -0.793 . . . . 20.0 110.332 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -85.49 86.55 7.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.939 -1.028 . . . . 20.0 110.314 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.21 136.21 33.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.119 -0.491 . . . . 20.0 109.702 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -99.69 18.68 17.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.164 0.507 . . . . 20.0 110.414 -177.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 p -120.43 127.65 26.2 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.572 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.27 121.15 8.39 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.662 2.241 . . . . 20.0 112.161 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.3 mtt -83.76 62.1 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.277 0.56 . . . . 20.0 110.546 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -90.33 151.22 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.59 -0.732 . . . . 20.0 110.464 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.2 p 51.87 78.41 0.12 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.589 0.755 . . . . 20.0 111.87 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -86.3 150.44 24.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.033 -0.53 . . . . 20.0 110.286 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -67.32 -24.85 65.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.223 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -85.48 80.17 9.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.833 -0.803 . . . . 20.0 108.833 170.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 p -70.64 123.42 21.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.479 -0.782 . . . . 20.0 111.951 -174.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.1 mt -102.28 -76.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.567 -0.742 . . . . 20.0 110.085 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.81 -35.33 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.254 0.549 . . . . 20.0 110.683 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' O ' ' HD2' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -64.27 -29.7 70.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.498 -0.773 . . . . 20.0 110.161 178.367 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.66 -38.73 62.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.096 -0.502 . . . . 20.0 109.91 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.45 -37.68 85.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.777 -0.647 . . . . 20.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 p -70.69 -44.84 66.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.535 -0.302 . . . . 20.0 110.97 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.434 ' HD2' ' O ' ' A' ' 17' ' ' GLN . 13.2 m-85 -64.71 -33.3 75.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.62 0.247 . . . . 20.0 111.223 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -70.72 -36.34 73.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.883 0.373 . . . . 20.0 110.177 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -60.08 -39.72 87.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.107 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -70.8 -39.55 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 20.0 110.365 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.3 -46.02 91.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 20.0 110.656 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -60.34 -35.74 76.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.532 -0.758 . . . . 20.0 111.109 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.91 -38.19 19.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.305 -0.407 . . . . 20.0 111.53 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.562 ' HD3' ' C ' ' A' ' 28' ' ' LYS . 10.2 tmtt? -70.1 -51.17 33.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.404 . . . . 20.0 110.38 -177.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -75.69 -30.46 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.355 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.65 -84.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.304 -0.862 . . . . 20.0 111.232 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 p -120.77 -57.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.66 0.267 . . . . 20.0 110.769 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 m -142.77 26.13 1.75 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.985 0.365 . . . . 20.0 111.985 -177.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.0 tp -88.41 57.91 4.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.559 0.695 . . . . 20.0 110.096 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.71 69.39 6.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.525 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -60.79 143.02 91.66 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.223 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.76 75.73 0.83 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.743 2.295 . . . . 20.0 112.251 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 64.5 mtp180 -64.01 133.15 95.5 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 20.0 111.25 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' ARG . 18.6 Cg_exo -66.51 136.01 41.34 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.41 2.073 . . . . 20.0 111.289 174.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.45 78.98 0.27 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.383 0.611 . . . . 20.0 111.786 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.3 pt -127.45 141.91 42.38 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.586 -0.734 . . . . 20.0 110.531 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -66.55 118.31 5.43 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.645 2.23 . . . . 20.0 112.031 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -88.27 -29.67 20.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.755 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -68.37 -34.27 75.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 20.0 110.839 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -66.82 -41.38 87.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.982 -0.553 . . . . 20.0 109.885 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.0 t -70.7 -47.35 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.745 . . . . 20.0 110.482 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.94 -41.0 77.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 20.0 111.502 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.5 ttp-105 -60.64 -37.35 81.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.486 . . . . 20.0 110.765 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -85.68 -36.1 20.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.531 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 45.5 tpp -63.22 -38.75 92.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.45 -0.795 . . . . 20.0 110.555 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.67 81.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 20.0 110.943 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.61 -45.23 87.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.532 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.21 -39.08 82.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.737 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -65.57 -33.98 77.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.636 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.82 -30.04 70.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.09 0.472 . . . . 20.0 110.626 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -80.79 -44.97 17.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.214 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.12 -36.32 79.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.674 -0.694 . . . . 20.0 110.99 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -66.77 -26.11 66.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.772 -0.649 . . . . 20.0 111.354 -177.026 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -85.39 -14.26 46.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.248 0.547 . . . . 20.0 110.183 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -95.13 174.39 7.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.488 -0.778 . . . . 20.0 110.274 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -88.36 80.17 7.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.892 -0.781 . . . . 20.0 108.892 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.3 m -144.93 60.14 1.31 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.2 -0.455 . . . . 20.0 111.082 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? 60.5 87.74 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.882 -0.599 . . . . 20.0 111.215 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.316 -0.85 . . . . 20.0 109.744 -178.578 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.411 0.148 . . . . 20.0 110.717 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 60.35 47.97 8.4 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.684 0.615 . . . . 20.0 112.176 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -104.88 112.57 25.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.855 -0.424 . . . . 20.0 109.855 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' A' ' -4' ' ' LYS . 0.3 OUTLIER -74.34 -50.45 18.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.659 -0.7 . . . . 20.0 109.47 -178.803 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -149.11 129.8 14.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.279 -0.873 . . . . 20.0 109.068 175.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -129.2 -67.72 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.368 -0.378 . . . . 20.0 110.334 -177.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 47.23 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.991 0.807 . . . . 20.0 112.667 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.52 -19.37 65.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.926 0.393 . . . . 20.0 110.872 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -83.8 -10.33 58.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.59 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 3' ' ' ARG . 82.0 m-20 65.36 -177.67 0.18 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.735 -0.666 . . . . 20.0 111.534 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 3' ' ' ARG . 26.1 mmt180 72.1 128.74 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.7 0.762 . . . . 20.0 112.824 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.41 147.19 40.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.265 -0.879 . . . . 20.0 109.317 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pp -82.43 26.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.092 0.473 . . . . 20.0 111.589 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 m 55.38 71.9 1.17 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.15 -0.932 . . . . 20.0 111.963 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.28 -34.12 2.24 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.222 1.948 . . . . 20.0 111.899 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.1 ttt -164.97 66.28 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.288 -0.634 . . . . 20.0 109.288 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.0 m -105.48 137.92 32.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.779 -0.646 . . . . 20.0 110.487 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.7 m -156.89 69.96 0.62 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.195 0.522 . . . . 20.0 110.127 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -78.71 63.92 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.513 0.673 . . . . 20.0 110.59 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -107.24 133.6 51.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.353 -0.84 . . . . 20.0 109.585 178.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -86.16 46.2 1.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.358 0.599 . . . . 20.0 110.336 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -67.7 152.68 45.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.217 -0.901 . . . . 20.0 110.97 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.556 ' O ' ' HB3' ' A' ' 20' ' ' SER . 27.6 pt -90.99 50.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.962 -0.563 . . . . 20.0 111.592 -177.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -91.27 -68.03 0.82 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.012 0.375 . . . . 20.0 112.012 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -90.23 -70.03 0.69 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.086 0.47 . . . . 20.0 111.978 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -90.3 -48.44 7.14 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.115 -172.151 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.505 ' HB2' ' HA ' ' A' ' 15' ' ' ILE . 86.8 m-20 -64.86 -14.47 59.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.311 0.485 . . . . 20.0 112.311 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.556 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 7.2 p -73.3 -48.14 36.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.966 0.412 . . . . 20.0 110.848 176.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -91.28 -44.6 9.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.259 -0.428 . . . . 20.0 111.339 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.483 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 12.3 m120 -60.01 -43.74 95.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.407 -0.361 . . . . 20.0 111.459 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.5 -34.67 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.17 0.51 . . . . 20.0 110.605 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -72.28 -29.28 63.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.179 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.67 -49.22 12.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.805 -0.634 . . . . 20.0 110.222 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 81.2 mtp180 -61.59 -38.24 86.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 20.0 111.14 -176.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.29 -20.5 63.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.39 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -82.62 -43.71 16.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.082 -0.508 . . . . 20.0 109.852 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 82.3 t -62.71 -47.81 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 20.0 110.28 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.46 110.74 6.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.342 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 t -66.59 -19.74 65.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.462 . . . . 20.0 110.674 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -94.99 89.86 5.75 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.263 -0.643 . . . . 20.0 109.263 175.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.19 -38.65 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.723 -0.473 . . . . 20.0 109.723 -178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.53 57.96 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.399 0.619 . . . . 20.0 110.031 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.15 152.98 96.09 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.492 -0.777 . . . . 20.0 110.13 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.61 91.54 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.954 2.436 . . . . 20.0 111.739 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -164.01 141.31 5.55 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.485 -0.779 . . . . 20.0 109.335 -174.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.15 152.1 32.23 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.551 2.168 . . . . 20.0 110.723 173.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.69 78.97 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.315 0.578 . . . . 20.0 111.586 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.69 128.45 18.95 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.279 -0.873 . . . . 20.0 108.915 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.66 127.29 13.77 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.885 2.39 . . . . 20.0 111.951 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -61.26 -30.09 70.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.513 . . . . 20.0 111.195 -175.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.97 -33.67 76.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.083 0.468 . . . . 20.0 110.132 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.05 -38.02 64.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.575 -0.739 . . . . 20.0 109.678 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.05 -51.08 73.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.852 -0.613 . . . . 20.0 110.666 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -57.81 -29.39 64.86 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.117 0.484 . . . . 20.0 110.657 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 47' ' ' ARG . 45.1 ttm180 -71.92 -60.44 2.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.772 177.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -65.15 -38.13 89.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.329 . . . . 20.0 111.299 -175.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 52.4 tpp -64.04 -29.47 70.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.315 -0.402 . . . . 20.0 110.927 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.08 -51.0 71.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 20.0 111.134 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.06 -27.81 61.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 20.0 110.496 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -64.13 -44.43 92.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 20.0 110.57 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -65.06 -36.4 84.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.521 . . . . 20.0 110.61 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.6 -45.33 53.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 20.0 110.872 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -66.63 -23.61 66.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.673 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.1 ttm -65.93 -31.3 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.912 -0.585 . . . . 20.0 110.281 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -79.85 -29.04 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.018 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 tttm 70.12 -69.6 0.17 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.215 -0.902 . . . . 20.0 111.117 177.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -164.25 18.14 0.06 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.823 -0.436 . . . . 20.0 109.823 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 61.6 -91.37 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.22 -0.9 . . . . 20.0 110.032 -174.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.7 t 44.79 73.35 0.16 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.871 0.732 . . . . 20.0 112.26 172.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -85.22 57.11 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.709 0.766 . . . . 20.0 110.136 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.26 -0.882 . . . . 20.0 109.025 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.347 -0.242 . . . . 20.0 110.347 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -124.54 124.03 41.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.567 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -128.21 106.85 9.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.239 -0.437 . . . . 20.0 110.0 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -93.73 60.24 2.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.395 0.617 . . . . 20.0 110.835 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -95.36 -6.57 40.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.243 -0.889 . . . . 20.0 110.284 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.52 -38.3 2.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.539 -0.755 . . . . 20.0 110.604 -177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -1' ' ' ASP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 2' ' ' ASN . 3.6 m-20 57.26 77.03 0.29 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.497 0.665 . . . . 20.0 110.546 -177.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.3 -18.6 60.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.305 -0.861 . . . . 20.0 111.307 -175.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -89.99 -18.39 26.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.261 0.553 . . . . 20.0 110.396 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' HB3' ' HB3' ' A' ' -1' ' ' ASP . 53.1 t30 -79.42 92.66 5.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.686 -0.688 . . . . 20.0 111.18 -175.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 60.58 50.47 5.72 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.6 -0.727 . . . . 20.0 112.142 174.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.18 28.28 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.384 0.612 . . . . 20.0 110.217 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.8 tp -141.92 129.86 21.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.338 -0.846 . . . . 20.0 109.728 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -68.0 133.32 91.92 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.798 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.17 -5.54 17.32 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.859 2.373 . . . . 20.0 111.908 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.1 mtp -136.22 166.08 24.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.366 -0.834 . . . . 20.0 109.48 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.21 127.52 28.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.137 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.3 m -81.05 65.54 6.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.125 -0.489 . . . . 20.0 111.151 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -87.22 154.54 20.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.771 -0.649 . . . . 20.0 109.917 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -83.69 -21.18 32.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.539 -0.541 . . . . 20.0 109.539 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -127.65 124.89 39.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.664 -0.698 . . . . 20.0 109.635 175.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -97.22 126.63 42.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.13 0.49 . . . . 20.0 110.17 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 15' ' ' ILE . 3.5 mp -69.55 132.13 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.597 -0.729 . . . . 20.0 109.77 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -45.93 -39.71 9.18 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.492 0.923 . . . . 20.0 113.492 -170.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' HG2' HG22 ' A' ' 15' ' ' ILE . 11.4 pt20 -63.94 -24.33 67.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.767 0.318 . . . . 20.0 111.729 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -90.59 -14.05 33.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.891 0.377 . . . . 20.0 110.489 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.36 -30.66 71.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.445 . . . . 20.0 110.919 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -67.99 -34.14 75.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.147 0.499 . . . . 20.0 110.43 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -73.79 -33.44 64.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 20.0 109.977 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 7.2 m120 -57.52 -45.44 84.99 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.708 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -59.71 -43.06 94.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.482 -0.327 . . . . 20.0 111.324 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -62.2 -42.07 98.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 20.0 110.275 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.19 -43.39 78.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 20.0 110.131 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 98.6 mtt180 -62.95 -36.3 82.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.158 -0.473 . . . . 20.0 110.94 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.23 -24.97 65.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.152 0.501 . . . . 20.0 110.908 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -90.51 -6.23 55.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.568 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG13 ' OG ' ' A' ' 32' ' ' SER . 42.0 t -59.41 -55.52 23.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.646 -0.252 . . . . 20.0 111.596 -177.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 66.88 -69.46 0.13 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.318 0.647 . . . . 20.0 111.889 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -156.45 83.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.813 0.815 . . . . 20.0 110.725 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.429 ' OG ' HG13 ' A' ' 29' ' ' VAL . 57.7 p -156.34 111.33 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 20.0 109.579 177.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -79.31 61.89 3.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.113 0.482 . . . . 20.0 111.732 -174.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.74 118.32 23.82 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.349 -0.612 . . . . 20.0 109.349 174.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -100.72 112.02 63.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 20.0 111.204 -173.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 94.6 Cg_endo -82.65 34.85 0.56 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 123.035 2.49 . . . . 20.0 112.473 -178.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 37' ' ' ARG . 6.3 mpt_? 72.52 147.72 0.12 Allowed Pre-proline 0 N--CA 1.468 0.449 0 CA-C-N 115.45 -0.796 . . . . 20.0 111.245 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.12 68.18 6.69 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.839 2.359 . . . . 20.0 112.749 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.3 141.87 43.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.712 -0.676 . . . . 20.0 109.98 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.5 mt 67.09 107.74 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 123.699 0.624 . . . . 20.0 110.879 -177.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -63.32 133.93 42.77 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.226 1.951 . . . . 20.0 111.205 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 18.1 p80 -76.69 0.63 19.67 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.517 -0.473 . . . . 20.0 110.845 -176.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.31 -36.13 70.71 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.702 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.46 -43.33 88.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.784 -0.644 . . . . 20.0 109.906 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.62 -40.45 84.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.347 -0.842 . . . . 20.0 110.675 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 46.5 mm-40 -55.17 -42.5 73.26 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.848 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -69.76 -40.14 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.569 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -62.01 -39.24 91.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.443 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.2 tpp -78.65 -31.48 46.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.583 -0.735 . . . . 20.0 110.515 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.76 92.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.766 -0.652 . . . . 20.0 112.004 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.37 -23.04 67.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.885 0.374 . . . . 20.0 111.16 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -71.26 -51.93 21.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.15 -0.477 . . . . 20.0 109.721 177.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.488 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 54.7 m-85 -68.83 -27.46 65.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 20.0 111.03 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.42 82.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.731 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -74.18 -28.83 61.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.401 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.7 mtp -78.11 -7.61 57.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 20.0 110.945 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 98.5 mtt180 -95.32 -22.96 17.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.022 0.439 . . . . 20.0 110.26 176.755 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -81.42 -49.22 10.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.964 -0.754 . . . . 20.0 108.964 173.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -117.55 97.63 5.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.168 -0.924 . . . . 20.0 108.865 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -80.71 149.84 29.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.359 -0.382 . . . . 20.0 110.86 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 p 52.22 81.89 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.735 0.814 . . . . 20.0 111.95 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -87.98 -3.54 58.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.987 -0.551 . . . . 20.0 110.415 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.582 -0.735 . . . . 20.0 110.007 176.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 30.8 mmt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.645 -0.502 . . . . 20.0 109.645 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -138.96 33.15 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.243 0.544 . . . . 20.0 110.128 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -86.39 -54.54 4.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.687 -0.688 . . . . 20.0 111.239 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -118.87 8.58 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.291 0.567 . . . . 20.0 110.555 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -152.01 116.05 4.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.19 -0.914 . . . . 20.0 110.445 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -109.7 -46.79 3.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.846 0.831 . . . . 20.0 108.945 174.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -149.44 30.7 0.75 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 107.648 -1.242 . . . . 20.0 107.648 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -90.34 -49.84 6.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.361 -1.291 . . . . 20.0 110.223 -173.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -86.07 -17.13 35.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.456 -0.793 . . . . 20.0 109.243 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -89.39 158.58 17.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.176 -0.92 . . . . 20.0 110.336 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -101.55 131.69 47.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.529 0.204 . . . . 20.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.3 99.34 2.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.223 -0.444 . . . . 20.0 111.136 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.08 134.29 55.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.584 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 p -159.35 139.24 8.61 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.175 -0.466 . . . . 20.0 109.877 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.79 114.94 2.15 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.948 2.432 . . . . 20.0 112.482 -176.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mtm -86.62 52.76 2.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.843 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.3 m -92.53 131.65 39.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.409 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.3 m -128.51 40.57 3.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.026 0.441 . . . . 20.0 110.871 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -163.35 145.89 10.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.914 -0.584 . . . . 20.0 110.277 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -106.6 90.17 3.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.405 0.621 . . . . 20.0 110.396 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -111.33 24.33 12.96 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.489 -0.778 . . . . 20.0 110.204 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 17' ' ' GLN . 17.6 m -81.28 67.39 7.2 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.697 0.76 . . . . 20.0 110.093 -178.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -84.72 -47.67 17.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.171 -0.922 . . . . 20.0 111.117 -175.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -65.24 -41.94 93.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.797 -0.638 . . . . 20.0 111.655 -173.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.459 ' HB2' HG22 ' A' ' 14' ' ' THR . 2.4 mp0 -61.96 -25.86 67.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.705 0.288 . . . . 20.0 111.497 -177.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -80.23 -33.05 38.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.928 0.394 . . . . 20.0 110.704 -177.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -92.03 -22.29 20.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.197 0.443 . . . . 20.0 112.197 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 p -77.84 -8.88 58.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.238 0.459 . . . . 20.0 112.238 -174.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -46.97 -38.92 11.45 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.329 0.492 . . . . 20.0 112.329 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -87.06 -23.91 24.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 20.0 111.108 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.05 -46.03 25.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.944 -0.571 . . . . 20.0 110.607 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 41' ' ' PRO . 68.4 t-105 -69.15 -23.27 63.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.2 0.524 . . . . 20.0 109.624 177.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.7 tp -65.37 -38.06 88.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.794 -0.639 . . . . 20.0 109.465 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -73.93 -32.29 63.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.115 176.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.57 84.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.348 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.4 -40.99 94.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.417 -0.81 . . . . 20.0 109.932 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.48 -54.51 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.771 -0.649 . . . . 20.0 111.264 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.27 -91.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.1 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -146.66 -59.96 0.3 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.886 -0.143 . . . . 20.0 111.307 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.5 m 67.49 -61.27 0.36 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.602 0.761 . . . . 20.0 111.833 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.78 99.2 1.32 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.432 -0.581 . . . . 20.0 109.432 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.24 29.87 5.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.28 0.562 . . . . 20.0 110.149 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.6 131.54 94.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.455 -0.793 . . . . 20.0 110.52 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.2 -6.32 18.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.547 2.164 . . . . 20.0 111.818 177.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -100.58 145.25 30.0 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.715 -0.675 . . . . 20.0 109.259 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.48 112.28 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.788 2.325 . . . . 20.0 112.003 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.11 129.82 44.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.077 -0.511 . . . . 20.0 111.163 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.8 pt -96.65 146.81 31.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.609 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 35.5 Cg_exo -60.39 118.46 5.34 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.533 2.156 . . . . 20.0 111.548 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -79.78 -4.79 53.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.972 0.415 . . . . 20.0 110.494 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -57.76 -35.65 71.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.33 173.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 35.9 tt0 -65.83 -40.62 91.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.531 -0.758 . . . . 20.0 110.383 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.85 -42.83 97.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.189 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.06 -37.85 86.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.834 -0.621 . . . . 20.0 109.337 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 47' ' ' ARG . 1.8 tpp180 -66.43 -32.18 73.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 20.0 110.897 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 30.0 mmm180 -77.94 -41.81 35.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.155 0.502 . . . . 20.0 110.025 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.7 mmt -76.06 -19.47 58.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 20.0 111.576 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.57 -38.68 72.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 20.0 111.131 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -70.41 -29.14 65.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.761 -0.654 . . . . 20.0 110.341 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -79.3 -29.62 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 20.0 110.336 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 56' ' ' MET . 76.9 t80 -58.02 -31.17 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.674 -0.694 . . . . 20.0 111.173 -176.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.01 86.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 20.0 110.986 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -88.82 -24.72 22.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.102 0.477 . . . . 20.0 110.394 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.472 ' HB3' ' HA ' ' A' ' 53' ' ' PHE . 53.7 tpp -67.74 -24.77 65.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.989 -0.55 . . . . 20.0 110.608 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -59.13 -34.21 71.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.032 -0.531 . . . . 20.0 110.532 177.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -169.44 103.33 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.031 0.443 . . . . 20.0 110.829 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.05 3.49 17.41 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.037 -0.529 . . . . 20.0 110.608 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -57.09 -74.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 20.0 111.033 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 m -129.86 36.13 4.08 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.115 -0.698 . . . . 20.0 109.115 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HG2' ' H ' ' A' ' 63' ' ' GLN . 47.6 tttm 67.07 180.0 0.22 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 114.918 -1.037 . . . . 20.0 109.69 -176.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.46 ' H ' ' HG2' ' A' ' 62' ' ' LYS . 78.4 mt-30 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 117.896 -1.05 . . . . 20.0 110.885 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.723 0.297 . . . . 20.0 110.564 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -137.09 83.69 2.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.334 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -156.72 87.66 1.02 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.662 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.55 -25.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.239 -0.437 . . . . 20.0 110.856 175.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -126.34 33.7 4.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.568 0.699 . . . . 20.0 110.482 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.94 -43.4 83.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.6 -0.727 . . . . 20.0 110.034 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 59.05 83.94 0.12 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.778 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.54 -25.14 67.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 20.0 110.218 177.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.436 ' HA ' HD23 ' A' ' 5' ' ' LEU . 39.8 ttpt -68.81 -24.43 64.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.328 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.48 -24.73 18.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.244 -0.434 . . . . 20.0 109.982 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -144.41 128.16 17.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.864 0.32 . . . . 20.0 111.864 -177.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 72.41 -68.56 0.22 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.823 0.849 . . . . 20.0 112.244 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 1' ' ' LYS . 2.3 tm? 58.39 80.09 0.19 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.284 0.564 . . . . 20.0 109.564 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -88.36 109.73 30.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.776 -0.647 . . . . 20.0 110.394 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 5' ' ' LEU . 72.5 Cg_endo -79.37 158.27 25.93 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.552 2.168 . . . . 20.0 111.277 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.2 mtp -76.39 75.94 3.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.313 0.577 . . . . 20.0 110.324 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.78 139.09 25.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.482 -0.781 . . . . 20.0 110.552 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 m -112.0 18.37 18.83 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.232 0.539 . . . . 20.0 110.211 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -95.67 136.11 36.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.64 -0.709 . . . . 20.0 109.835 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -121.71 126.22 48.42 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.994 -0.548 . . . . 20.0 111.226 -174.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 58.55 20.9 8.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.824 -0.625 . . . . 20.0 111.9 175.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -79.59 127.62 32.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.581 0.705 . . . . 20.0 112.869 -171.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -90.69 158.08 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.043 -0.98 . . . . 20.0 108.475 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -45.14 -49.8 11.7 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.187 0.44 . . . . 20.0 112.187 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -67.09 -35.62 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 20.0 111.326 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -71.94 -15.48 62.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.076 0.465 . . . . 20.0 110.447 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -65.99 -15.05 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.532 176.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -87.18 -20.66 26.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.368 0.604 . . . . 20.0 109.766 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -96.27 -13.79 23.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.421 -0.809 . . . . 20.0 110.366 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -45.6 -24.1 0.31 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.846 -1.07 . . . . 20.0 113.599 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.66 -37.48 68.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 20.0 110.703 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -72.04 -37.08 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 20.0 110.365 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.34 -28.98 62.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.531 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -65.54 -31.91 73.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.18 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.8 72.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.285 0.565 . . . . 20.0 110.038 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -73.22 -27.1 61.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.402 -0.817 . . . . 20.0 110.11 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.2 t -77.69 -36.78 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.048 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.54 -28.41 69.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.896 -0.593 . . . . 20.0 110.944 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 p -100.84 17.81 21.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.418 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.5 t -141.43 118.36 11.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 20.0 110.007 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.0 tp -81.98 -30.16 31.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.898 0.38 . . . . 20.0 110.59 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.21 108.97 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.34 -0.391 . . . . 20.0 111.238 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -107.87 124.47 34.73 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 108.872 -0.788 . . . . 20.0 108.872 172.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.06 -11.32 23.3 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.765 2.31 . . . . 20.0 114.042 -172.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -139.27 60.63 17.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 111.653 0.242 . . . . 20.0 111.653 -175.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -88.8 52.33 1.75 Allowed 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.715 2.276 . . . . 20.0 111.537 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.12 167.99 22.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.512 -0.767 . . . . 20.0 111.061 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.7 mt -122.85 128.93 25.19 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.464 -0.789 . . . . 20.0 109.345 177.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.12 118.43 2.4 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.891 2.394 . . . . 20.0 112.483 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -88.89 -36.42 15.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.503 -0.317 . . . . 20.0 110.239 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.56 -50.51 73.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 20.0 111.146 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.66 -47.73 83.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.373 . . . . 20.0 111.179 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.67 -48.83 81.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.237 -0.438 . . . . 20.0 110.712 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.18 -45.3 85.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.12 -0.491 . . . . 20.0 111.343 -176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -64.74 -33.59 76.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.341 . . . . 20.0 110.812 -176.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -77.18 -35.84 55.54 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.11 -0.495 . . . . 20.0 110.522 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.4 mmt -76.15 -34.22 59.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.045 -0.525 . . . . 20.0 110.558 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.7 -40.44 72.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.052 -0.522 . . . . 20.0 111.26 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.54 -40.43 97.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.801 -0.636 . . . . 20.0 110.114 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -70.71 -44.42 66.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 20.0 110.518 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.605 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 23.9 m-85 -63.6 -30.31 71.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.864 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.97 -31.43 70.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.987 0.422 . . . . 20.0 111.043 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -77.87 -44.26 27.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.038 -0.528 . . . . 20.0 110.958 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 53' ' ' PHE . 26.2 ptm -84.83 -1.67 56.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.856 0.36 . . . . 20.0 111.51 -176.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 43.3 ttp180 -70.45 -45.24 66.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.921 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -165.48 139.76 4.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.994 -0.548 . . . . 20.0 109.861 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.82 95.95 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.858 0.361 . . . . 20.0 110.437 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -89.99 157.18 17.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.94 -0.573 . . . . 20.0 109.784 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 m 62.4 27.26 16.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.384 0.612 . . . . 20.0 110.237 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -129.08 56.99 1.65 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.414 -0.812 . . . . 20.0 109.04 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.573 -0.74 . . . . 20.0 109.973 -174.445 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 121.12 0.486 . . . . 20.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -153.41 168.62 25.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.529 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -150.07 90.54 1.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 20.0 109.557 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 70.65 -55.29 0.63 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.662 0.785 . . . . 20.0 111.387 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -99.46 115.0 28.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.11 -0.496 . . . . 20.0 109.98 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -70.34 -47.58 60.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.354 -0.61 . . . . 20.0 109.354 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 53.5 91.26 0.03 OUTLIER 'General case' 0 C--O 1.236 0.349 0 CA-C-N 114.775 -1.102 . . . . 20.0 112.641 173.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.96 -10.47 59.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.746 -0.661 . . . . 20.0 109.871 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -84.41 0.1 50.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.447 -0.797 . . . . 20.0 110.377 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p30 39.65 62.06 1.28 Allowed 'General case' 0 N--CA 1.47 0.555 0 O-C-N 124.134 0.896 . . . . 20.0 112.271 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -97.87 47.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.645 -0.707 . . . . 20.0 110.698 -177.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.73 69.51 0.98 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.586 -0.733 . . . . 20.0 109.917 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 mp -76.81 91.99 3.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.869 -0.605 . . . . 20.0 110.786 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m 60.14 77.74 0.36 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.361 -0.836 . . . . 20.0 111.772 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.78 -46.81 26.9 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.594 2.196 . . . . 20.0 111.826 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -141.62 113.84 8.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.346 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -90.57 90.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.32 0.581 . . . . 20.0 110.359 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 p -107.21 119.11 38.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.546 -0.752 . . . . 20.0 110.29 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -108.07 133.72 51.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.539 -0.3 . . . . 20.0 110.455 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -111.15 75.54 0.93 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.414 0.626 . . . . 20.0 110.433 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -112.59 -103.5 0.4 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.687 -0.688 . . . . 20.0 110.506 177.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.5 p -102.43 -2.12 29.4 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.976 -0.29 . . . . 20.0 111.484 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.0 mt -51.72 -55.36 9.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.763 0.316 . . . . 20.0 111.25 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -65.11 -41.45 94.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 20.0 110.611 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.92 -49.04 79.33 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.095 -0.502 . . . . 20.0 111.368 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.95 -31.49 72.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.413 -175.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 95.9 m-20 -90.7 -15.33 30.5 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.841 -0.344 . . . . 20.0 111.687 -178.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -51.1 -53.45 34.04 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.232 0.456 . . . . 20.0 112.232 -176.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -71.35 -25.02 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.929 0.395 . . . . 20.0 110.539 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -75.01 -42.8 56.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.09 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 19' ' ' ASN . 13.2 mm-40 -67.92 -39.46 83.54 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.63 -0.507 . . . . 20.0 109.63 178.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -63.98 -38.77 92.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 20.0 110.208 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.0 -26.03 65.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.889 -0.596 . . . . 20.0 111.045 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -90.41 -48.27 7.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.064 0.459 . . . . 20.0 110.644 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.18 -5.08 42.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.871 -0.604 . . . . 20.0 112.308 -173.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -17.16 59.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.643 0.259 . . . . 20.0 111.18 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.26 -49.91 50.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 20.0 109.896 175.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -171.92 -78.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.656 -0.702 . . . . 20.0 110.398 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.8 p -138.83 35.39 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.328 0.585 . . . . 20.0 110.177 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -80.01 94.85 6.0 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.546 -0.752 . . . . 20.0 112.214 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.3 mt -104.09 -1.43 27.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.461 0.648 . . . . 20.0 109.426 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.13 -176.74 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.967 -1.015 . . . . 20.0 110.089 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.529 ' OD2' ' HD3' ' A' ' 37' ' ' ARG . 29.1 t70 -106.44 114.17 62.39 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.612 -0.267 . . . . 20.0 110.838 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.38 120.92 7.7 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.697 2.264 . . . . 20.0 111.608 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.529 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 13.4 ptt180 -159.12 77.19 3.1 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 121.166 0.508 . . . . 20.0 110.621 -174.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.47 -25.32 75.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.898 2.399 . . . . 20.0 113.164 -177.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.5 -58.87 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.029 0.381 . . . . 20.0 112.029 -177.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.8 mt -120.15 106.43 40.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.754 0.311 . . . . 20.0 111.469 -175.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -80.26 119.35 3.81 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.554 2.169 . . . . 20.0 111.844 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.406 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 16.1 m-70 -87.36 -20.48 26.67 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.314 -0.241 . . . . 20.0 111.305 -178.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -64.83 -29.94 70.92 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.766 0.284 . . . . 20.0 111.766 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -82.44 -29.93 30.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.832 0.349 . . . . 20.0 110.998 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.48 -50.22 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.031 0.443 . . . . 20.0 110.569 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.76 -40.02 82.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.763 -0.653 . . . . 20.0 111.202 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -66.56 -30.2 70.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.394 . . . . 20.0 111.176 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -90.64 -30.0 17.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.907 0.384 . . . . 20.0 111.184 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 43.8 tpp -90.48 -47.93 7.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.067 -0.515 . . . . 20.0 112.282 -172.417 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.03 -63.68 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.908 0.707 . . . . 20.0 112.908 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.04 -31.73 69.11 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.812 0.339 . . . . 20.0 111.805 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -68.86 -41.32 78.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.916 0.389 . . . . 20.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -77.17 -34.23 56.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.976 0.417 . . . . 20.0 110.345 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.07 70.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.914 -0.584 . . . . 20.0 110.898 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.71 -31.66 70.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.491 . . . . 20.0 110.614 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.5 mtp -78.88 -14.94 58.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.905 -0.588 . . . . 20.0 110.51 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -109.54 9.04 25.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.535 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt 60.48 82.35 0.16 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.635 -0.711 . . . . 20.0 109.611 -173.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -42.15 109.03 0.11 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 114.89 -1.05 . . . . 20.0 113.656 -169.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 60' ' ' ARG . 30.0 ttt180 -146.2 21.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.348 -0.842 . . . . 20.0 109.283 176.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 m -76.03 116.91 17.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.744 -0.662 . . . . 20.0 110.698 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -129.1 26.03 5.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.376 0.608 . . . . 20.0 110.275 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.268 -0.873 . . . . 20.0 109.497 178.52 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.763 0.316 . . . . 20.0 110.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -116.99 -63.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 20.0 110.244 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -82.49 91.25 6.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.557 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -84.72 98.69 10.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.394 -0.595 . . . . 20.0 109.394 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 69.39 -170.94 0.18 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.277 -0.874 . . . . 20.0 110.714 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -77.33 -56.45 4.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.288 0.566 . . . . 20.0 110.718 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -89.35 162.44 15.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.887 -176.547 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -84.91 1.23 48.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.934 0.873 . . . . 20.0 109.196 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -70.1 -4.29 20.53 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 114.537 -1.211 . . . . 20.0 111.128 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -58.04 141.81 48.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 20.0 110.248 177.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.644 ' HA ' ' OG ' ' A' ' 6' ' ' SER . 14.5 ptm180 -138.27 57.83 1.69 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.55 0.69 . . . . 20.0 111.221 -173.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.1 -59.2 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.476 -0.784 . . . . 20.0 110.462 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.92 21.27 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.375 0.607 . . . . 20.0 109.75 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.644 ' OG ' ' HA ' ' A' ' 3' ' ' ARG . 31.0 m -77.22 139.59 64.85 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.27 -0.877 . . . . 20.0 111.568 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.452 ' HG3' ' OD1' ' A' ' 43' ' ' ASP . 70.1 Cg_endo -75.06 78.54 2.89 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.774 2.316 . . . . 20.0 111.352 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.7 mtm -79.45 46.43 0.74 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.681 -0.69 . . . . 20.0 110.97 -175.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.5 p -166.91 43.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 122.093 0.949 . . . . 20.0 109.617 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.3 t -59.84 -33.08 71.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.313 -0.858 . . . . 20.0 110.013 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -157.17 146.43 20.18 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.546 -0.752 . . . . 20.0 108.988 172.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -86.95 2.38 49.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.18 0.514 . . . . 20.0 110.758 -178.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -97.6 149.02 22.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.52 -0.764 . . . . 20.0 109.667 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -164.39 149.72 10.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.598 -0.519 . . . . 20.0 109.598 -175.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 15' ' ' ILE . 2.5 mp -75.37 130.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.435 -0.58 . . . . 20.0 109.435 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.75 -32.21 69.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.319 -0.855 . . . . 20.0 111.681 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.92 -29.9 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 20.0 110.82 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' HG3' ' HB ' ' A' ' 15' ' ' ILE . 31.7 mt-10 -71.53 -38.05 71.09 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.386 0.612 . . . . 20.0 109.577 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -71.92 -33.46 68.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.32 -0.855 . . . . 20.0 110.605 -173.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.1 m -64.25 -33.22 75.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.919 0.39 . . . . 20.0 110.23 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -80.57 -36.02 33.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 20.0 109.98 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -58.14 -47.63 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.943 -0.571 . . . . 20.0 109.674 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.09 -36.99 85.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.784 -0.644 . . . . 20.0 110.479 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -72.67 -46.24 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.366 -0.379 . . . . 20.0 110.995 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.26 -45.6 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 20.0 110.899 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -67.61 -29.74 69.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 20.0 110.939 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.41 -32.33 32.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.085 0.469 . . . . 20.0 110.634 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -73.44 -71.06 0.33 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.742 -0.663 . . . . 20.0 109.916 179.582 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.673 HG13 ' H ' ' A' ' 30' ' ' ALA . 3.4 p -104.71 -70.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.735 -0.211 . . . . 20.0 111.34 176.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.673 ' H ' HG13 ' A' ' 29' ' ' VAL . . . 172.11 -167.07 0.02 OUTLIER 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.602 0.761 . . . . 20.0 109.216 -173.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.8 m 75.8 131.78 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.613 0.571 . . . . 20.0 111.886 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.0 p -83.02 51.79 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 20.0 110.808 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.5 tp 65.13 -80.19 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.355 -0.839 . . . . 20.0 111.704 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.34 -179.21 5.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.818 0.342 . . . . 20.0 110.81 -173.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -102.97 95.34 6.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.714 -0.847 . . . . 20.0 108.714 176.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -76.05 116.72 4.46 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.66 2.24 . . . . 20.0 112.707 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.551 ' NH2' ' HB3' ' A' ' 6' ' ' SER . 92.3 mtt180 -134.7 66.76 70.08 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.475 -0.33 . . . . 20.0 111.699 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 37' ' ' ARG . 4.2 Cg_exo -76.81 -17.8 15.44 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.244 1.963 . . . . 20.0 110.416 171.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.61 166.52 21.03 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.607 -1.179 . . . . 20.0 110.619 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 40' ' ' ILE . 3.0 mp -70.91 124.04 90.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.088 -0.505 . . . . 20.0 109.645 176.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -67.63 119.87 6.89 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.411 2.074 . . . . 20.0 111.926 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -67.34 -10.03 47.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.1 0.476 . . . . 20.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 4.2 m-20 -63.78 -29.6 70.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.938 -0.573 . . . . 20.0 110.198 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.26 -29.52 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.423 0.63 . . . . 20.0 109.682 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.2 t -70.99 -39.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.447 -0.797 . . . . 20.0 109.767 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.99 -42.59 72.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.614 -0.721 . . . . 20.0 109.918 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 27.4 mmt180 -62.88 -40.94 99.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.619 -0.718 . . . . 20.0 110.698 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -67.23 -39.67 86.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.959 -0.564 . . . . 20.0 111.073 -177.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.2 mtm -82.92 -21.47 34.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.394 -0.366 . . . . 20.0 111.412 -176.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.32 71.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 20.0 112.137 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.93 -22.82 64.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.525 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.0 mtm105 -87.54 -41.35 13.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.891 0.376 . . . . 20.0 110.205 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -67.9 -10.2 51.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 20.0 111.075 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -59.9 -26.17 65.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.981 176.135 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.42 -35.6 40.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.113 0.482 . . . . 20.0 110.278 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -82.94 -25.27 32.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.575 . . . . 20.0 111.306 -175.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 22.9 ptt180 -66.32 -20.44 66.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.242 0.544 . . . . 20.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -76.53 -44.74 33.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.056 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.81 53.02 1.21 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.395 0.617 . . . . 20.0 111.081 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 57' ' ' ARG . 16.9 ptm180 -152.13 162.12 41.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.464 -0.789 . . . . 20.0 109.018 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.7 m -125.96 128.88 48.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.84 0.352 . . . . 20.0 110.927 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -150.36 138.68 20.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.042 -0.526 . . . . 20.0 109.77 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.691 -0.671 . . . . 20.0 109.6 -179.272 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.739 0.304 . . . . 20.0 110.219 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -90.21 164.97 14.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.354 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -125.34 79.55 1.81 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.217 0.532 . . . . 20.0 110.586 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -74.62 -44.65 49.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.469 -0.787 . . . . 20.0 109.36 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -82.15 153.48 25.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.349 -0.841 . . . . 20.0 109.661 178.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.596 ' HB2' ' HB2' ' A' ' 2' ' ' ASN . 5.5 m-20 -74.88 -41.18 60.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.787 -0.642 . . . . 20.0 111.044 -173.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 17.2 t70 54.44 -87.32 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.204 0.94 . . . . 20.0 112.331 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -75.4 -22.53 57.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.072 0.463 . . . . 20.0 110.519 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -92.14 1.13 57.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.005 -0.543 . . . . 20.0 109.907 176.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.596 ' HB2' ' HB2' ' A' ' -2' ' ' ASP . 9.8 t30 -102.21 -50.14 3.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.683 -0.69 . . . . 20.0 111.179 -177.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.97 -67.93 0.6 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.827 -0.624 . . . . 20.0 111.614 -171.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.89 160.54 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.067 -0.345 . . . . 20.0 110.067 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.436 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 97.1 mt 56.8 55.99 5.8 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.448 0.468 . . . . 20.0 111.045 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -83.85 109.71 20.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.47 -0.567 . . . . 20.0 109.47 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 5' ' ' LEU . 92.5 Cg_endo -82.92 140.01 9.95 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.431 2.087 . . . . 20.0 112.186 -177.66 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.6 ptm -80.26 111.79 16.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.542 -0.54 . . . . 20.0 109.542 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 67.6 t 69.77 106.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 115.705 -0.679 . . . . 20.0 110.287 -175.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.2 m -62.47 106.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 20.0 111.92 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -114.04 144.02 43.8 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.296 -0.631 . . . . 20.0 109.296 171.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -96.57 -27.53 14.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.444 -0.343 . . . . 20.0 111.371 -173.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -153.59 -57.33 0.12 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.857 0.318 . . . . 20.0 111.857 -175.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m 61.68 97.93 0.03 OUTLIER 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.318 0.58 . . . . 20.0 110.766 -176.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.506 HG22 ' H ' ' A' ' 18' ' ' GLU . 4.1 mp -80.28 94.69 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.92 -0.582 . . . . 20.0 109.89 -177.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HA ' ' ND2' ' A' ' 19' ' ' ASN . 8.4 mm-40 -62.28 -32.42 73.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.921 -178.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -61.9 -30.06 70.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 20.0 110.553 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' H ' HG22 ' A' ' 15' ' ' ILE . 8.8 tp10 -91.32 -58.54 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.2 -0.455 . . . . 20.0 111.713 -178.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 16' ' ' GLU . 9.6 p30 -66.71 -20.29 65.94 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.17 0.433 . . . . 20.0 112.17 -168.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.4 m -73.79 -29.71 62.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 20.0 110.461 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -90.38 -36.74 14.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 20.0 110.178 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -66.23 -20.53 66.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.669 -0.696 . . . . 20.0 110.72 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -58.41 -57.09 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.526 -0.306 . . . . 20.0 111.306 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -73.67 -20.11 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.987 0.422 . . . . 20.0 111.01 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -75.86 -27.69 57.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.27 0.557 . . . . 20.0 109.843 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -86.09 -37.41 18.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 20.0 110.11 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.49 -1.04 25.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.571 . . . . 20.0 111.757 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 31' ' ' THR . 23.1 pttm -64.63 -16.56 62.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 20.0 110.815 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.1 p -73.54 -19.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 20.0 110.714 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.15 -38.68 6.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.223 0.535 . . . . 20.0 109.851 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 92.8 m -145.34 109.54 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.533 -0.758 . . . . 20.0 109.582 175.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.4 m -78.48 61.03 2.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.005 0.431 . . . . 20.0 110.954 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt 59.51 -88.73 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.213 -0.903 . . . . 20.0 111.761 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.56 86.13 2.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.99 0.424 . . . . 20.0 110.197 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -118.54 123.18 29.4 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.112 -0.495 . . . . 20.0 110.297 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -72.45 -24.22 19.42 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.223 1.948 . . . . 20.0 111.465 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.487 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 15.7 tpt180 -179.26 -55.01 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.31 -0.859 . . . . 20.0 109.84 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 73.8 Cg_endo -73.24 153.63 51.21 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.872 1.715 . . . . 20.0 111.775 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.69 94.62 8.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.784 0.326 . . . . 20.0 110.324 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.468 HD12 ' H ' ' A' ' 40' ' ' ILE . 3.5 mp -64.22 123.95 84.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.929 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.49 120.05 7.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.781 2.321 . . . . 20.0 112.335 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -63.8 -20.03 65.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.391 -0.368 . . . . 20.0 110.595 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -60.27 -32.16 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 20.0 110.977 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.91 -38.85 87.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.389 . . . . 20.0 110.434 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.3 t -68.75 -46.33 79.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.912 -0.585 . . . . 20.0 110.317 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.69 -33.15 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.434 -0.803 . . . . 20.0 110.394 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.634 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 74.7 ttt180 -65.74 -43.93 87.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 20.0 109.855 176.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -59.37 -35.54 74.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.521 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.1 mtt -74.35 -38.94 63.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.868 -0.606 . . . . 20.0 110.227 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.65 71.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 20.0 111.076 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 9.7 mm-40 -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.812 -0.631 . . . . 20.0 110.271 176.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -79.84 -44.87 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 20.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -66.26 -21.85 66.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 20.0 110.749 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.49 72.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 20.0 111.186 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -69.18 -38.15 78.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.097 0.475 . . . . 20.0 110.529 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.2 mtp -80.16 -16.28 55.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.766 -0.652 . . . . 20.0 110.373 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -88.56 -0.45 57.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.532 -0.758 . . . . 20.0 110.303 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -80.13 59.21 3.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.086 -0.506 . . . . 20.0 111.067 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -99.0 131.14 45.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.878 -0.601 . . . . 20.0 109.737 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -75.84 -6.83 52.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.559 0.219 . . . . 20.0 111.059 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.4 t -63.87 105.99 0.93 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.6 -0.518 . . . . 20.0 109.6 175.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HB2' ' NZ ' ' A' ' 62' ' ' LYS . 9.7 mtmp? -132.87 79.93 1.87 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.994 -0.548 . . . . 20.0 109.58 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.251 1.153 0 O-C-N 124.031 0.832 . . . . 20.0 110.24 -179.115 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -7' ' ' MET . . . . . 0.438 ' O ' ' HB2' ' A' ' -6' ' ' ASP . 1.5 mpt? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.294 -0.632 . . . . 20.0 109.294 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -6' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' -5' ' ' TYR . 3.8 m-20 69.95 134.42 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 O-C-N 124.058 0.849 . . . . 20.0 109.931 -171.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -5' ' ' TYR . . . . . 0.494 ' HB3' ' O ' ' A' ' -6' ' ' ASP . 50.3 t80 73.83 -51.9 0.69 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.054 0.542 . . . . 20.0 110.263 -172.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -163.79 155.78 17.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.769 -0.456 . . . . 20.0 109.769 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -101.91 66.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.516 0.674 . . . . 20.0 110.667 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -79.61 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.754 -0.657 . . . . 20.0 111.149 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 37.2 t70 57.29 55.95 5.48 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.863 0.84 . . . . 20.0 108.872 -170.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -67.77 -26.89 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.919 -1.037 . . . . 20.0 111.321 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -77.55 -17.45 57.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.15 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 70.39 100.9 0.06 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.422 -0.808 . . . . 20.0 111.12 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -97.25 26.33 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 20.0 110.753 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.08 28.44 5.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.131 -177.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 58.73 50.74 8.4 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.448 0.642 . . . . 20.0 110.865 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 p -158.4 113.96 1.71 Allowed Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.202 -0.908 . . . . 20.0 109.73 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.81 -51.65 9.24 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.321 2.681 . . . . 20.0 112.334 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.8 mmt 56.26 44.0 25.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.374 0.607 . . . . 20.0 111.256 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -116.94 9.0 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.697 -0.853 . . . . 20.0 108.697 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t 60.59 40.11 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.64 -1.164 . . . . 20.0 110.02 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -97.0 53.13 1.18 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.575 -0.739 . . . . 20.0 110.265 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -64.38 -55.68 19.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.468 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -148.8 67.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.072 0.463 . . . . 20.0 110.152 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 t -150.09 87.35 1.46 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.842 0.83 . . . . 20.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.492 HD12 ' N ' ' A' ' 15' ' ' ILE . 4.1 mp -99.83 127.75 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.499 -0.773 . . . . 20.0 110.328 -176.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.52 -44.72 89.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.599 -0.728 . . . . 20.0 110.661 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 36.2 tt0 -67.72 -36.06 79.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.964 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' CB ' ' HB ' ' A' ' 15' ' ' ILE . 37.1 tt0 -65.6 -40.16 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 20.0 110.367 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -70.39 -26.75 63.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 20.0 110.708 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -66.83 -35.69 80.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.388 -0.597 . . . . 20.0 109.388 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.415 ' CE2' ' HG2' ' A' ' 17' ' ' GLN . 29.5 m-85 -72.45 -36.56 68.55 Favored 'General case' 0 CA--C 1.523 -0.073 0 CA-C-N 116.364 -0.38 . . . . 20.0 110.03 174.211 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.505 ' HB3' ' SD ' ' A' ' 49' ' ' MET . 93.4 m-20 -58.35 -39.31 79.17 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.984 -0.553 . . . . 20.0 110.957 178.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -63.55 -35.0 79.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.946 0.403 . . . . 20.0 110.492 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -72.77 -40.16 66.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 20.0 110.453 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.2 -39.29 93.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.305 0.574 . . . . 20.0 109.809 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.52 ' O ' HG12 ' A' ' 29' ' ' VAL . 71.6 ttt180 -67.01 -32.72 74.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.301 -0.863 . . . . 20.0 110.705 178.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.11 71.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.824 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -82.27 -24.69 34.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.706 -0.679 . . . . 20.0 111.959 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 26' ' ' ARG . 8.8 p -81.02 -18.43 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.26 0.553 . . . . 20.0 110.632 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.02 29.36 7.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 20.0 111.163 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 m -85.02 57.53 4.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.33 0.586 . . . . 20.0 110.881 -177.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.7 m -156.55 141.9 17.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.93 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -77.46 63.88 2.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.175 0.512 . . . . 20.0 110.509 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.43 -158.44 0.59 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.626 -0.716 . . . . 20.0 110.118 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -59.06 141.31 86.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.787 0.327 . . . . 20.0 110.757 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.23 127.11 22.89 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.04 2.493 . . . . 20.0 112.658 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -81.58 132.63 54.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.845 -0.616 . . . . 20.0 109.425 175.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -68.67 149.77 73.85 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.887 2.391 . . . . 20.0 112.433 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.44 70.26 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.389 0.614 . . . . 20.0 110.787 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 22.0 pt -89.33 138.82 28.47 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.618 -0.719 . . . . 20.0 110.711 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 40' ' ' ILE . 36.4 Cg_exo -61.28 152.5 71.84 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.796 2.331 . . . . 20.0 111.459 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -65.15 -16.29 63.34 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.329 -0.396 . . . . 20.0 111.479 -176.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.98 -23.76 65.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.168 0.509 . . . . 20.0 110.336 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.16 -47.11 12.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 20.0 110.267 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.4 t -64.51 -31.23 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.246 -0.888 . . . . 20.0 110.785 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -46.67 -42.54 16.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.758 -0.655 . . . . 20.0 111.15 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 30.6 ttp180 -77.61 -49.29 14.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.688 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -61.79 -40.67 96.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.934 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' A' ' 22' ' ' ASN . 53.4 ttm -65.93 -38.72 89.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.814 0.34 . . . . 20.0 110.173 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.49 94.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 20.0 110.573 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 55.7 mt-10 -65.61 -45.12 84.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 20.0 110.373 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 56' ' ' MET . 56.4 ttp180 -65.41 -32.69 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 20.0 111.137 -178.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.04 -49.61 75.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.006 0.432 . . . . 20.0 110.395 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.89 -22.21 53.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.49 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 24.4 ttpp -72.08 -23.62 61.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.189 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 92.9 mmm -75.58 -13.32 60.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 20.0 110.361 176.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -94.7 -58.72 2.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 20.0 109.599 174.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.46 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -132.3 133.3 43.89 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.315 -0.994 . . . . 20.0 108.315 177.2 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -127.25 -56.25 1.33 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.015 0.435 . . . . 20.0 111.328 -175.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -112.95 154.16 26.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 20.0 110.562 -172.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 m -72.53 89.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.941 -0.572 . . . . 20.0 111.114 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -67.2 138.53 57.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.217 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.457 -0.783 . . . . 20.0 109.612 -179.342 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.691 0.281 . . . . 20.0 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -124.68 -82.02 0.64 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 20.0 110.559 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -164.71 168.37 18.04 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.206 -0.665 . . . . 20.0 109.206 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 61.87 63.02 1.17 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.758 0.79 . . . . 20.0 109.836 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -92.19 52.28 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.327 -0.851 . . . . 20.0 111.354 -174.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.71 -37.71 87.6 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.491 0.662 . . . . 20.0 110.218 174.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -96.7 80.46 3.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.486 -0.779 . . . . 20.0 109.733 174.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -86.37 1.32 51.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.463 -0.79 . . . . 20.0 109.756 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -78.93 -8.85 59.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.472 -0.785 . . . . 20.0 110.172 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -56.66 134.7 54.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.286 -0.87 . . . . 20.0 110.07 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -78.37 -14.88 59.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.932 0.396 . . . . 20.0 110.899 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 63.72 19.85 11.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.48 -0.782 . . . . 20.0 111.674 178.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tt -87.06 72.04 10.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.437 0.637 . . . . 20.0 109.521 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 m -153.21 92.18 3.28 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.771 -0.65 . . . . 20.0 110.3 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.65 -45.78 13.1 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.593 2.195 . . . . 20.0 111.442 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.2 tpp 49.99 75.54 0.17 Allowed 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.923 0.765 . . . . 20.0 111.527 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 p -133.87 106.74 9.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.552 0.692 . . . . 20.0 109.912 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.2 p -120.71 64.28 0.85 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.566 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -100.06 37.43 1.65 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.968 -0.56 . . . . 20.0 109.854 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -63.41 127.07 29.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.367 -0.833 . . . . 20.0 110.515 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -94.26 40.32 1.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.236 0.541 . . . . 20.0 110.038 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 p -134.23 67.95 1.5 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.414 -0.812 . . . . 20.0 110.938 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 17' ' ' GLN . 80.7 mt -97.63 133.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.526 -0.761 . . . . 20.0 109.578 177.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -61.1 -27.91 68.71 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.974 -0.557 . . . . 20.0 111.502 -175.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.567 ' H ' HG22 ' A' ' 15' ' ' ILE . 97.0 mt-30 -71.37 -12.43 61.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.904 -0.589 . . . . 20.0 110.961 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' HG3' ' HB ' ' A' ' 15' ' ' ILE . 46.9 mt-10 -90.46 -48.72 6.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.807 0.337 . . . . 20.0 110.37 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.569 ' HA ' ' HB3' ' A' ' 22' ' ' ASN . 1.1 p-10 -76.01 -15.67 60.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.265 -0.425 . . . . 20.0 112.072 -176.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 p -64.87 -47.39 78.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.01 0.434 . . . . 20.0 110.276 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -80.84 -21.97 40.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.762 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.569 ' HB3' ' HA ' ' A' ' 19' ' ' ASN . 27.9 t-20 -70.22 -23.06 62.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.218 176.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.94 -33.33 74.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.78 -0.645 . . . . 20.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -70.7 -36.91 73.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 20.0 109.712 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.3 -37.5 87.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.966 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -62.47 -39.23 92.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.425 -0.807 . . . . 20.0 110.417 175.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.27 -34.49 70.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 20.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.76 -46.46 82.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.752 -0.658 . . . . 20.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.62 -30.06 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.004 0.43 . . . . 20.0 110.713 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.0 76.95 9.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.261 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.8 t -68.92 140.74 55.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 20.0 111.017 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 m -88.38 5.17 43.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.415 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.78 8.68 44.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 20.0 110.376 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.27 137.64 53.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.634 . . . . 20.0 110.139 177.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 14.4 m-20 -73.7 126.97 89.26 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 20.0 110.739 -176.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 6.1 Cg_exo -77.89 55.05 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.847 2.365 . . . . 20.0 111.412 175.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 74.7 ttt180 -129.85 99.1 20.67 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.681 -0.69 . . . . 20.0 110.274 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 39.0 Cg_endo -67.13 110.12 1.9 Allowed 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.494 2.129 . . . . 20.0 112.522 -178.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.536 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -154.67 144.99 22.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.743 -0.662 . . . . 20.0 109.766 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.4 mt -103.47 101.26 22.28 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.852 0.358 . . . . 20.0 111.063 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 39' ' ' ALA . 88.1 Cg_endo -92.19 158.4 3.18 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.223 2.615 . . . . 20.0 112.003 175.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -73.22 -21.13 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.793 -0.447 . . . . 20.0 109.793 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.41 -37.23 85.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.643 -0.708 . . . . 20.0 110.498 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 34.5 tt0 -64.79 -45.75 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.609 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 49' ' ' MET . 47.7 t -65.95 -42.87 92.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.113 -0.494 . . . . 20.0 110.098 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.43 -48.7 79.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.623 -0.717 . . . . 20.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -65.85 -36.38 83.29 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.01 -0.276 . . . . 20.0 110.6 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 21.1 mmm180 -62.1 -40.07 94.6 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 121.259 -0.176 . . . . 20.0 110.718 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 26.4 mmt -57.86 -36.76 72.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 20.0 110.94 178.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.19 -52.07 7.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.064 -0.517 . . . . 20.0 111.125 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 53.1 mt-10 -64.84 -33.41 75.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.246 -0.433 . . . . 20.0 111.709 -174.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -61.28 -32.54 72.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.144 0.497 . . . . 20.0 110.296 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -90.06 -41.75 11.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.808 -0.633 . . . . 20.0 110.298 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.35 77.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 20.0 111.796 -177.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 51' ' ' GLU . 5.7 mptp? -61.27 -24.9 66.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.507 -0.315 . . . . 20.0 111.089 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.7 ttp -81.01 -47.14 14.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.882 0.372 . . . . 20.0 110.518 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -67.61 -40.37 84.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 20.0 110.765 -177.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm 57.79 69.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.275 0.56 . . . . 20.0 110.624 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -71.19 -26.89 63.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.5 -0.773 . . . . 20.0 110.231 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.403 ' HD2' HH11 ' A' ' 60' ' ' ARG . 39.0 ttm180 -62.69 -65.03 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.586 -0.733 . . . . 20.0 110.256 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 m -155.31 123.74 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.841 -0.618 . . . . 20.0 109.659 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' HG3' ' H ' ' A' ' 63' ' ' GLN . 17.8 ptmt -112.13 -51.28 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.642 0.258 . . . . 20.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.496 ' H ' ' HG3' ' A' ' 62' ' ' LYS . 21.5 mm-40 . . . . . 0 C--O 1.245 0.821 0 N-CA-C 109.01 -0.737 . . . . 20.0 109.01 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.336 0.112 . . . . 20.0 110.931 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -79.66 -51.96 8.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 20.0 111.162 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -77.33 90.84 3.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.995 -0.548 . . . . 20.0 109.882 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -94.16 4.13 54.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.911 -0.586 . . . . 20.0 110.397 -175.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.53 130.73 36.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.919 -0.582 . . . . 20.0 109.777 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -87.46 -47.23 8.92 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.867 -0.79 . . . . 20.0 108.867 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -165.39 79.43 0.31 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.061 -0.972 . . . . 20.0 109.48 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -90.61 -50.74 5.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.068 0.461 . . . . 20.0 110.174 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -93.09 -61.68 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 20.0 109.645 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.5 t30 178.33 86.78 0.01 OUTLIER 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.91 0.756 . . . . 20.0 109.833 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -110.44 -19.36 12.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.336 0.589 . . . . 20.0 109.643 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.97 59.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mp -122.8 54.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 20.0 110.943 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -80.37 136.87 52.45 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.219 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -81.83 64.93 8.56 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.686 2.257 . . . . 20.0 112.576 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -72.99 149.9 42.9 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.849 -0.426 . . . . 20.0 109.849 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.3 t -118.28 107.38 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.674 0.273 . . . . 20.0 110.553 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 m 60.47 49.13 7.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.614 -0.721 . . . . 20.0 110.352 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -133.77 55.91 1.87 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.397 -0.82 . . . . 20.0 110.269 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -70.3 129.05 38.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.164 -0.471 . . . . 20.0 110.703 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.04 152.8 42.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.158 -0.682 . . . . 20.0 109.158 177.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -116.57 87.03 2.61 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.086 0.469 . . . . 20.0 111.005 -175.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -94.75 113.36 29.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.48 -0.563 . . . . 20.0 109.48 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.99 -29.74 65.5 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.827 0.677 . . . . 20.0 112.827 -169.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.83 -57.63 9.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.585 0.231 . . . . 20.0 110.962 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -75.83 -31.51 59.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 20.0 110.979 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.427 ' N ' HD22 ' A' ' 19' ' ' ASN . 0.9 OUTLIER -75.24 -12.22 60.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.101 -0.499 . . . . 20.0 111.792 -177.289 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.2 p -48.97 -44.34 40.81 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.72 0.295 . . . . 20.0 111.251 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -68.34 -38.88 81.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.004 0.43 . . . . 20.0 110.55 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -64.57 -31.92 73.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.782 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.39 -41.45 97.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.066 0.46 . . . . 20.0 110.051 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -66.09 -38.83 89.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.795 -0.639 . . . . 20.0 110.059 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.6 mt -64.84 -41.95 95.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 20.0 109.969 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.31 -41.91 90.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.654 -0.703 . . . . 20.0 110.268 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.9 -29.32 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 20.0 111.256 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -80.67 -21.18 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.178 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' LEU . 71.7 t -96.97 -55.9 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 111.982 0.364 . . . . 20.0 111.982 -175.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.58 150.42 34.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.962 0.411 . . . . 20.0 111.243 -172.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 m -101.73 -22.73 14.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.402 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -98.59 -77.39 0.51 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.148 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -121.8 124.7 44.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.71 -0.223 . . . . 20.0 110.46 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.02 -23.31 13.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.813 0.34 . . . . 20.0 111.278 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -126.97 84.19 64.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.388 -0.369 . . . . 20.0 110.418 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.97 133.8 26.04 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.541 2.161 . . . . 20.0 112.144 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.422 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.2 mmt180 -91.57 150.42 41.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.281 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 37' ' ' ARG . 2.7 Cg_exo -74.96 70.13 5.34 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.848 2.366 . . . . 20.0 111.599 176.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.62 131.43 35.5 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.46 -0.791 . . . . 20.0 110.365 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.6 pt -93.28 142.25 25.03 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.471 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.58 120.0 7.62 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.522 2.148 . . . . 20.0 110.866 174.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -60.53 -19.98 58.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.735 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.23 -23.29 63.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.645 0.26 . . . . 20.0 110.973 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -71.24 -27.51 63.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.474 0.654 . . . . 20.0 109.736 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 49' ' ' MET . 76.3 t -69.59 -44.48 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.477 -0.783 . . . . 20.0 109.703 176.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.05 -33.89 76.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.491 -0.777 . . . . 20.0 110.38 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -60.78 -38.36 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.596 -0.729 . . . . 20.0 110.677 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -78.03 -28.04 48.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 20.0 110.71 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.3 mmt -62.82 -24.92 68.0 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.078 -0.51 . . . . 20.0 111.589 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.79 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 20.0 111.86 -177.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.05 -33.8 74.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.754 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -63.78 -44.6 92.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.287 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -71.54 -34.29 69.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.96 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.26 94.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.913 0.387 . . . . 20.0 110.814 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -72.6 -30.1 64.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.33 -0.395 . . . . 20.0 110.814 178.125 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.7 ttm -75.03 -28.52 60.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.282 -0.417 . . . . 20.0 110.652 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -62.22 -42.37 99.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.809 -0.632 . . . . 20.0 110.354 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 53.35 58.35 5.32 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.036 0.446 . . . . 20.0 110.798 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -82.2 44.41 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.858 0.837 . . . . 20.0 110.094 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -93.68 69.33 4.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.829 -1.078 . . . . 20.0 109.927 -177.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -71.31 -19.35 62.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.206 0.527 . . . . 20.0 110.778 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -94.23 45.88 1.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.037 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 . . . . . 0 C--O 1.249 1.061 0 CA-C-N 115.555 -0.748 . . . . 20.0 110.342 -178.941 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.974 0.416 . . . . 20.0 110.943 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -116.69 161.13 19.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.322 -0.399 . . . . 20.0 110.795 177.768 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -116.99 154.16 31.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.136 -179.011 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 72.15 -44.03 0.58 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.549 0.74 . . . . 20.0 111.878 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -73.36 0.75 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.051 0.453 . . . . 20.0 110.665 175.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.78 -35.54 63.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.341 -0.845 . . . . 20.0 111.262 177.052 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -79.64 96.44 6.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.001 -0.545 . . . . 20.0 111.094 -179.531 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -90.63 0.64 57.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.94 -0.573 . . . . 20.0 109.66 174.506 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.66 -50.83 22.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.473 -0.785 . . . . 20.0 111.117 -173.787 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -71.54 -11.89 61.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.36 0.6 . . . . 20.0 110.379 -179.325 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -105.94 11.92 31.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.057 -0.52 . . . . 20.0 110.626 176.136 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.56 31.08 1.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.281 0.562 . . . . 20.0 110.569 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.498 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 10.0 mp -97.71 69.38 2.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.778 -0.646 . . . . 20.0 109.908 178.93 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -90.67 107.92 23.75 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.048 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 5' ' ' LEU . 51.8 Cg_exo -55.63 -33.79 88.22 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.665 2.244 . . . . 20.0 111.449 177.88 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 tpt 51.54 52.73 14.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.3 0.571 . . . . 20.0 110.424 174.536 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 m -98.74 36.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.591 0.71 . . . . 20.0 111.059 -177.153 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 p -82.43 104.93 13.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.333 -0.849 . . . . 20.0 109.686 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -83.67 106.45 15.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.846 -176.059 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -117.5 13.69 14.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.194 0.521 . . . . 20.0 109.871 175.173 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -151.78 30.09 0.59 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.253 -0.885 . . . . 20.0 111.093 -177.155 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 45.2 p 49.54 72.96 0.27 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.333 -0.849 . . . . 20.0 112.416 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.9 mt -74.39 -28.27 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.363 0.601 . . . . 20.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -49.74 -27.14 4.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.966 -1.016 . . . . 20.0 112.989 178.608 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -61.45 -36.75 81.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.666 0.269 . . . . 20.0 111.302 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.32 -26.66 56.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.543 0.211 . . . . 20.0 111.027 -178.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -84.06 -15.23 48.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.366 0.603 . . . . 20.0 110.297 177.958 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.2 t -71.89 -10.55 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.389 -0.823 . . . . 20.0 111.58 -177.781 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -54.11 -30.24 47.95 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 111.906 0.335 . . . . 20.0 111.906 -176.11 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.7 -41.36 97.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 20.0 110.902 178.989 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -83.34 -32.36 26.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.119 0.485 . . . . 20.0 109.994 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -65.78 -35.64 81.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.319 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.3 tm? -63.18 -36.57 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.561 -0.533 . . . . 20.0 109.561 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -60.73 -37.03 80.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.242 0.544 . . . . 20.0 110.232 177.348 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.635 ' HA ' ' OG1' ' A' ' 31' ' ' THR . . . -70.43 -28.47 65.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.698 -0.683 . . . . 20.0 110.879 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 1.9 tpmt? -82.78 -27.48 30.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.771 -0.649 . . . . 20.0 110.633 -178.255 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 25' ' ' LEU . 92.8 t -66.78 -66.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 110.217 -0.29 . . . . 20.0 110.217 176.334 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.0 -31.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.99 0.424 . . . . 20.0 111.012 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.635 ' OG1' ' HA ' ' A' ' 27' ' ' ALA . 1.9 m 63.08 26.17 15.28 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.373 -0.83 . . . . 20.0 110.46 179.261 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.4 p 48.52 37.22 8.66 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.581 -0.736 . . . . 20.0 111.622 -174.578 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 31' ' ' THR . 88.1 mt -113.91 113.97 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.888 -0.596 . . . . 20.0 109.997 178.702 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 59.15 31.11 20.99 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.742 0.651 . . . . 20.0 111.026 -179.041 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -105.04 130.75 22.59 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.553 -0.749 . . . . 20.0 109.477 179.602 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.79 -21.91 65.69 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.103 2.535 . . . . 20.0 113.175 -176.649 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 55.01 81.07 0.27 Allowed Pre-proline 0 C--O 1.236 0.353 0 O-C-N 123.302 0.376 . . . . 20.0 111.473 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.29 161.42 16.75 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.852 2.368 . . . . 20.0 111.664 178.017 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.54 108.9 0.17 Allowed 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.7 0.625 . . . . 20.0 111.573 -177.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.9 mt -74.95 121.94 86.38 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.372 -0.831 . . . . 20.0 110.791 -175.103 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.3 133.89 60.27 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.554 2.17 . . . . 20.0 111.001 174.366 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.488 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 62.1 t60 -66.94 -28.21 68.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.695 -0.23 . . . . 20.0 111.116 -173.279 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.56 -28.9 64.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.083 0.468 . . . . 20.0 109.978 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 28.5 tt0 -77.93 -32.41 51.59 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.853 -0.612 . . . . 20.0 110.129 179.189 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 49' ' ' MET . 98.1 t -56.88 -49.59 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.819 -0.438 . . . . 20.0 109.819 174.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 5.7 mm-40 -57.29 -39.36 75.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.536 -0.757 . . . . 20.0 110.343 177.581 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -67.89 -44.87 76.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.822 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 90.8 mtt180 -60.76 -35.33 76.13 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.106 -179.274 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.9 mmt -57.25 -32.13 66.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 20.0 111.831 -176.746 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.21 91.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.919 0.39 . . . . 20.0 110.83 177.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.92 -21.8 40.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.365 0.602 . . . . 20.0 110.127 179.163 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 56' ' ' MET . 57.9 ttt180 -66.12 -22.78 66.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.349 -0.841 . . . . 20.0 111.058 -175.191 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -60.25 -36.2 77.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.023 0.439 . . . . 20.0 110.282 174.859 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.77 -32.56 23.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.048 -0.524 . . . . 20.0 110.01 175.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 52' ' ' ARG . 14.7 tppt? -57.34 -37.7 72.97 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.599 -0.728 . . . . 20.0 110.657 178.561 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 24.6 mmt -57.82 -29.21 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 20.0 111.414 -179.528 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -82.75 -22.19 34.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.331 -0.395 . . . . 20.0 111.65 -174.184 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -159.34 60.8 0.39 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.435 0.636 . . . . 20.0 110.707 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.0 -21.65 40.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.6 0.714 . . . . 20.0 109.16 175.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -142.4 158.42 43.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.514 -1.221 . . . . 20.0 109.231 -177.547 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -92.77 -16.44 25.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.534 -0.303 . . . . 20.0 111.293 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -178.56 -37.82 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.962 0.41 . . . . 20.0 110.593 177.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.776 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.666 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.541 0.21 . . . . 20.0 111.455 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -115.42 -1.17 12.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 20.0 111.393 -175.04 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -129.03 146.81 50.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.867 0.365 . . . . 20.0 111.017 -178.65 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -118.12 -0.36 11.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.602 0.715 . . . . 20.0 109.675 176.964 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.91 144.96 48.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.151 -0.931 . . . . 20.0 109.712 179.439 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.97 -32.28 73.76 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.97 -0.559 . . . . 20.0 110.574 178.594 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 21.9 t70 32.46 -79.5 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 O-C-N 125.373 1.671 . . . . 20.0 114.857 167.746 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.94 -25.25 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.929 0.491 . . . . 20.0 112.049 -176.606 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -92.67 1.23 57.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.5 -0.318 . . . . 20.0 111.755 -178.584 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.439 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 93.8 m-20 -75.25 71.57 2.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.061 0.458 . . . . 20.0 111.231 -179.268 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -72.48 -19.39 61.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.371 0.605 . . . . 20.0 109.861 179.242 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.44 -32.39 58.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.418 -0.81 . . . . 20.0 110.646 176.013 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 2' ' ' ASN . 67.5 tp -81.6 -48.48 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.033 178.791 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -115.91 99.47 52.61 Favored Pre-proline 0 N--CA 1.446 -0.674 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.137 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.92 -40.85 82.59 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.577 2.185 . . . . 20.0 111.162 176.307 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.5 ttm -100.37 106.08 17.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.61 -0.723 . . . . 20.0 109.43 173.274 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.71 129.15 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.79 -178.296 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -70.43 114.97 9.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.547 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -100.55 162.5 12.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.96 0.409 . . . . 20.0 110.336 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -91.05 29.69 1.34 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.066 178.546 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.1 114.4 4.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.687 -0.688 . . . . 20.0 109.998 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.8 m -150.94 116.59 5.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.196 -0.456 . . . . 20.0 110.152 -178.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 tp -70.64 148.25 10.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.84 -0.618 . . . . 20.0 110.409 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.78 -31.51 69.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.564 -0.744 . . . . 20.0 112.244 -175.907 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -73.1 -15.84 61.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.753 0.311 . . . . 20.0 110.826 -177.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -80.46 -39.97 27.11 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.815 -0.809 . . . . 20.0 108.815 174.222 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -64.17 -45.4 88.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.418 -0.81 . . . . 20.0 110.667 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 p -67.73 -40.56 84.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.376 -0.375 . . . . 20.0 111.143 -178.668 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -68.03 -35.95 79.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.993 -0.373 . . . . 20.0 109.993 178.584 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -69.81 -32.79 71.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.021 0.438 . . . . 20.0 110.151 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -64.92 -41.15 95.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 20.0 109.72 173.459 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -64.16 -41.87 96.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.617 -0.72 . . . . 20.0 110.08 175.373 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.04 -36.68 80.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.747 -0.66 . . . . 20.0 110.396 178.193 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -60.31 -38.93 85.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.587 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.48 67.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.205 0.526 . . . . 20.0 110.707 178.992 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -72.98 -43.76 61.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.61 -0.723 . . . . 20.0 110.172 177.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.64 -36.49 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.74 178.142 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -79.05 80.77 5.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.13 -0.486 . . . . 20.0 110.815 177.483 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.1 m -92.07 -34.95 14.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.157 -0.474 . . . . 20.0 111.381 -176.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.4 t -127.08 48.46 2.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.401 0.619 . . . . 20.0 110.256 -177.752 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.575 HD23 ' HA ' ' A' ' 30' ' ' ALA . 4.1 mm? -110.82 96.55 6.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.6 -0.727 . . . . 20.0 109.963 179.153 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.83 172.97 12.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.769 -179.394 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -118.86 82.87 21.54 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.455 -0.339 . . . . 20.0 110.471 178.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.26 96.71 0.81 Allowed 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.433 2.088 . . . . 20.0 112.028 -178.779 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -140.63 83.95 14.28 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 121.355 0.598 . . . . 20.0 110.851 179.622 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.36 159.68 29.32 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.508 2.139 . . . . 20.0 112.539 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 69.01 -81.17 0.03 OUTLIER 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.446 -0.797 . . . . 20.0 112.263 176.323 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.6 pt -133.69 133.49 22.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 20.0 111.773 -173.055 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.26 144.79 33.64 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.645 2.23 . . . . 20.0 111.405 174.329 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -73.51 -10.74 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.36 . . . . 20.0 111.802 -174.272 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.2 -54.57 45.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.981 0.419 . . . . 20.0 111.394 -176.245 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -68.79 -33.82 74.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.963 -0.562 . . . . 20.0 111.003 -178.296 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.24 -50.3 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.736 -0.468 . . . . 20.0 109.736 176.552 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.29 -41.59 89.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.313 -0.858 . . . . 20.0 110.827 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.58 -55.06 39.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.942 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -67.47 -31.89 72.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.49 -0.323 . . . . 20.0 110.855 -178.463 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 54.2 tpp -67.98 -43.75 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.395 -0.366 . . . . 20.0 110.523 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.23 74.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 20.0 110.668 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.31 -26.42 68.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.969 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -65.12 -32.49 74.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.21 0.529 . . . . 20.0 110.391 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 56' ' ' MET . 73.8 t80 -90.52 -27.62 19.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.769 177.888 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.36 -48.74 11.55 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.295 -0.412 . . . . 20.0 111.786 -177.759 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 34.3 mmtp -80.31 0.1 34.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.256 -0.429 . . . . 20.0 111.946 -172.225 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 4.6 ppp? -80.11 -20.99 43.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.333 -0.617 . . . . 20.0 109.333 173.599 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 57' ' ' ARG . 5.9 tpm_? -88.21 -42.11 12.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.611 -0.722 . . . . 20.0 110.006 176.882 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 22.0 pttp -149.17 129.01 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.069 -0.514 . . . . 20.0 109.975 176.219 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.75 61.19 6.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.102 0.477 . . . . 20.0 110.319 -179.204 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -152.5 137.78 17.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.838 -0.619 . . . . 20.0 109.815 -177.369 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m -99.66 -6.57 26.99 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.792 0.293 . . . . 20.0 111.792 -175.349 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -64.13 130.67 44.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.647 0.26 . . . . 20.0 110.677 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.66 -0.686 . . . . 20.0 110.111 -177.893 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.949 -0.389 . . . . 20.0 109.949 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -151.23 171.54 17.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.138 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -134.76 38.64 3.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.91 -0.587 . . . . 20.0 109.72 176.282 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -72.1 -27.23 62.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.603 -0.726 . . . . 20.0 110.817 -177.261 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.453 ' HA ' ' OD2' ' A' ' 0' ' ' ASP . 9.2 p-10 -96.35 33.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.29 0.567 . . . . 20.0 110.762 -179.046 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -72.13 -48.42 43.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.635 . . . . 20.0 111.103 -177.757 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.92 -43.99 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.054 -0.521 . . . . 20.0 111.494 -175.088 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 0' ' ' ASP . . . . . 0.453 ' OD2' ' HA ' ' A' ' -3' ' ' ASP . 3.6 p30 -73.64 -7.77 53.3 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.764 0.316 . . . . 20.0 111.358 -178.08 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -67.39 -29.87 69.51 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.526 -0.546 . . . . 20.0 109.526 173.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -95.98 70.62 2.88 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.18 -0.674 . . . . 20.0 109.18 177.745 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -103.53 10.18 37.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.34 -0.845 . . . . 20.0 110.5 -178.938 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.58 78.39 9.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.683 -0.69 . . . . 20.0 110.606 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.61 HD23 ' H ' ' A' ' 5' ' ' LEU . 2.6 pt? -107.86 147.12 31.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.011 -0.54 . . . . 20.0 109.853 177.402 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 t -84.48 120.06 73.78 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.512 -0.551 . . . . 20.0 109.512 177.061 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.07 92.45 0.64 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.502 2.135 . . . . 20.0 111.779 -179.625 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ptp -89.04 51.25 2.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.416 0.626 . . . . 20.0 110.845 -177.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.44 107.43 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.667 -0.697 . . . . 20.0 109.281 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -140.19 -10.34 1.12 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.889 0.329 . . . . 20.0 111.889 -176.761 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -88.07 128.04 35.41 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.064 -0.254 . . . . 20.0 110.463 179.315 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 t80 68.18 167.69 0.26 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.979 0.8 . . . . 20.0 110.111 -177.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 65.27 19.76 11.75 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.894 0.378 . . . . 20.0 110.844 -179.352 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.431 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 11.5 p -84.34 -177.72 6.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.055 -0.52 . . . . 20.0 111.248 -177.62 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' ' 14' ' ' THR . 50.5 mm 75.68 -42.57 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 123.586 0.554 . . . . 20.0 110.989 179.092 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.49 -18.98 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.827 -0.624 . . . . 20.0 111.756 -178.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -70.8 -27.8 64.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.964 0.411 . . . . 20.0 110.251 176.391 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 21' ' ' TYR . 43.1 mt-10 -86.35 -35.08 20.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.049 -0.523 . . . . 20.0 111.494 -172.998 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -78.96 -33.72 44.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.5 -0.48 . . . . 20.0 111.005 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -76.48 -14.06 60.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.149 0.499 . . . . 20.0 110.073 176.313 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 82.4 t80 -60.51 -29.56 69.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.463 -0.79 . . . . 20.0 110.433 177.601 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -66.33 -36.04 81.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.036 0.446 . . . . 20.0 110.181 176.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.91 -32.77 57.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 20.0 109.977 178.16 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 68.5 t-105 -62.34 -39.06 91.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 20.0 110.342 174.364 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.8 -46.04 89.84 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.131 -0.692 . . . . 20.0 109.131 175.744 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -58.92 -36.48 74.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.86 -0.609 . . . . 20.0 110.59 177.313 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 31' ' ' THR . . . -64.3 -44.79 90.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 20.0 111.13 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.79 -32.98 71.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.034 -0.53 . . . . 20.0 111.106 -177.758 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.9 t -82.39 -45.64 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 20.0 112.031 -177.133 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.38 -47.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.989 0.737 . . . . 20.0 112.989 -172.43 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' A' ' 27' ' ' ALA . 7.3 m -83.09 59.57 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.64 0.733 . . . . 20.0 111.223 -173.401 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 t -110.61 95.89 5.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.665 -0.698 . . . . 20.0 109.478 178.331 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 33' ' ' LEU . 2.8 mm? -83.81 -26.52 29.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.237 0.541 . . . . 20.0 109.659 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -126.84 151.4 48.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.081 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 4.3 p-10 -72.32 157.97 88.29 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.311 -0.625 . . . . 20.0 109.311 176.372 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 35' ' ' ASP . 55.3 Cg_endo -69.84 49.19 0.71 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.993 2.462 . . . . 20.0 113.431 -177.8 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.579 ' N ' ' HD2' ' A' ' 38' ' ' PRO . 65.2 ttt180 -71.17 -47.57 13.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.595 . . . . 20.0 111.546 175.455 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 37' ' ' ARG . 8.9 Cg_endo -50.85 112.95 0.88 Allowed 'Trans proline' 0 C--N 1.363 1.306 0 C-N-CA 122.42 2.08 . . . . 20.0 111.444 175.272 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.6 122.49 31.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.797 -0.638 . . . . 20.0 112.083 -171.305 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.517 ' HB ' ' HD2' ' A' ' 41' ' ' PRO . 17.0 pt -86.63 165.62 31.77 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.549 -0.75 . . . . 20.0 109.555 173.674 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 40' ' ' ILE . 41.0 Cg_exo -37.66 135.77 0.48 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.118 2.545 . . . . 20.0 113.076 176.98 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -61.96 -28.57 69.64 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.719 -0.673 . . . . 20.0 111.861 -171.647 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.25 -25.8 66.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 20.0 110.708 -179.661 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -81.87 -45.68 15.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 20.0 110.151 178.053 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -61.42 -53.11 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 20.0 111.379 -176.337 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.07 -27.06 68.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.897 -0.592 . . . . 20.0 111.598 -176.507 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.3 ttp-105 -76.84 -29.11 55.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.086 0.47 . . . . 20.0 110.87 -177.217 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.672 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 2.4 mmp_? -90.62 -29.82 17.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 20.0 111.586 -179.32 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.4 mtt -82.31 -19.2 39.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.569 -0.287 . . . . 20.0 111.662 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.72 -58.72 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.353 0.408 . . . . 20.0 112.004 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.52 -29.27 64.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.219 -0.446 . . . . 20.0 111.518 -177.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -69.39 -32.77 72.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.932 0.396 . . . . 20.0 110.377 -179.334 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.5 -30.67 71.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.336 178.55 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.14 -40.25 82.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.902 -0.59 . . . . 20.0 110.513 177.206 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -71.49 -32.24 68.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.289 177.787 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.1 ttm -62.06 -26.47 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.699 -0.682 . . . . 20.0 110.658 178.436 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -64.05 -29.24 70.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.563 177.119 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -84.16 -20.59 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.302 0.572 . . . . 20.0 109.99 178.308 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -77.51 -10.43 59.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.655 -0.702 . . . . 20.0 111.088 -178.209 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -137.95 45.33 2.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.053 -0.521 . . . . 20.0 110.605 178.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.0 t -125.63 143.55 50.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.637 -179.122 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -100.23 99.07 9.7 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.903 -0.406 . . . . 20.0 109.903 175.702 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 C--O 1.245 0.823 0 CA-C-O 118.428 -0.796 . . . . 20.0 109.994 179.339 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.256 0.074 . . . . 20.0 111.006 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 55.21 47.68 21.11 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.298 0.374 . . . . 20.0 110.342 -176.93 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 63.5 t80 65.2 -82.66 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.379 -0.828 . . . . 20.0 110.362 -175.142 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -157.4 23.62 0.29 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.379 -0.971 . . . . 20.0 108.379 175.104 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -119.67 48.32 1.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.904 -1.044 . . . . 20.0 110.186 -177.769 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -77.35 -43.99 30.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 20.0 109.508 176.606 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' -1' ' ' ASP . . . . . 0.479 ' HB3' ' HB3' ' A' ' 2' ' ' ASN . 57.9 m-20 -104.03 72.25 1.08 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.547 -0.751 . . . . 20.0 109.656 173.368 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 0' ' ' ASP . . . . . 0.405 ' OD2' ' HG3' ' A' ' 1' ' ' LYS . 7.6 p-10 -69.01 -30.42 68.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.925 -0.58 . . . . 20.0 111.07 -177.371 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.405 ' HG3' ' OD2' ' A' ' 0' ' ' ASP . 46.5 mttp -94.23 -47.59 6.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.602 179.773 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.479 ' HB3' ' HB3' ' A' ' -1' ' ' ASP . 8.4 p30 40.9 48.11 2.7 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.478 0.711 . . . . 20.0 112.369 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -152.89 -24.29 0.16 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.05 -0.523 . . . . 20.0 111.226 -177.516 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 70.78 -56.83 0.61 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.713 0.805 . . . . 20.0 111.951 -179.125 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.2 tp 54.71 71.79 0.51 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.323 0.583 . . . . 20.0 111.221 178.304 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 p -67.87 141.29 94.51 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.723 -0.671 . . . . 20.0 110.603 177.584 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.37 55.9 4.29 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.121 2.547 . . . . 20.0 113.139 -178.288 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 42.07 -160.6 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.414 1.085 . . . . 20.0 112.699 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.7 t -91.66 104.66 15.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.558 -0.534 . . . . 20.0 109.558 175.059 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 m -85.65 50.78 2.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.198 0.523 . . . . 20.0 110.837 -176.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -129.17 148.48 51.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.587 . . . . 20.0 109.749 179.628 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -123.45 113.09 18.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.257 -0.429 . . . . 20.0 110.388 -177.687 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -117.1 -84.4 0.64 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.972 -0.381 . . . . 20.0 109.972 176.184 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 p 40.5 67.75 0.47 Allowed 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.65 0.593 . . . . 20.0 112.094 -178.643 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm 61.9 66.83 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-O 121.463 0.649 . . . . 20.0 110.498 -178.989 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -79.86 -39.73 29.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.918 -176.981 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -58.64 -36.01 73.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.272 -0.422 . . . . 20.0 111.609 -173.072 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -71.94 -45.77 59.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.999 0.428 . . . . 20.0 110.542 -178.091 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -72.09 -30.66 65.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.694 -178.616 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.488 ' HA ' ' HB3' ' A' ' 24' ' ' TRP . 34.6 t -70.54 -20.59 62.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.699 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -81.26 -32.8 33.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.52 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -90.83 -56.32 3.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.306 -0.406 . . . . 20.0 111.612 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -89.99 -56.44 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.527 -170.813 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.488 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 70.1 t-105 -65.43 -19.25 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.331 . . . . 20.0 111.045 -174.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.9 -35.7 61.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.051 0.453 . . . . 20.0 110.309 176.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -75.19 -27.46 59.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.56 -0.745 . . . . 20.0 110.881 -178.014 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.15 -24.0 23.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.248 0.546 . . . . 20.0 110.735 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -72.24 -17.95 61.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.546 -178.407 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -71.01 -21.22 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.466 0.65 . . . . 20.0 110.132 176.982 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.24 27.28 15.47 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 114.881 -1.054 . . . . 20.0 112.018 177.14 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.2 m -60.4 -36.68 78.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 20.0 110.99 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.7 m -116.41 31.05 6.97 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.967 -0.561 . . . . 20.0 109.962 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.2 tp -127.08 94.34 3.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.363 -178.382 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.24 123.14 48.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.796 -0.638 . . . . 20.0 110.252 177.806 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -72.31 120.6 81.33 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.265 -0.425 . . . . 20.0 110.536 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.24 90.4 0.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.403 2.069 . . . . 20.0 111.141 175.725 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -67.84 123.88 88.1 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.959 -0.564 . . . . 20.0 109.583 178.917 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.65 114.3 2.08 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.628 2.219 . . . . 20.0 112.321 -176.591 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.74 156.63 18.4 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.552 -0.749 . . . . 20.0 110.216 179.314 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.7 mt -58.92 119.09 34.67 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 20.0 109.932 176.657 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.97 128.79 25.21 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.336 2.024 . . . . 20.0 111.349 -178.32 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 55.0 t-80 -61.81 -24.86 67.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.661 -176.64 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.56 -36.57 78.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.848 177.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.92 -28.75 63.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.268 0.556 . . . . 20.0 110.119 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -76.76 -51.46 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.428 -0.806 . . . . 20.0 110.421 179.021 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 12.0 pt-20 -70.33 -19.06 63.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 20.0 111.448 -177.041 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 4.1 tmt_? -57.19 -33.23 67.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.493 -0.558 . . . . 20.0 109.493 174.306 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -62.54 -44.94 95.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.231 177.577 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 46' ' ' GLU . 1.8 mpt? -66.07 -31.98 73.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 20.0 110.723 -178.95 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.36 75.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.731 176.51 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.07 -20.27 59.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.085 -0.507 . . . . 20.0 110.559 179.566 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -67.97 -39.61 83.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.409 -0.814 . . . . 20.0 110.043 175.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -72.76 -26.44 61.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.405 0.622 . . . . 20.0 109.929 177.747 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.6 -1.53 31.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.447 -0.797 . . . . 20.0 110.892 178.104 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 8.0 ttpm? -61.69 -25.7 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.636 177.273 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.4 mmt -69.23 -15.57 63.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.022 -0.535 . . . . 20.0 111.524 -178.871 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.42 -43.64 98.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.083 0.468 . . . . 20.0 110.234 177.596 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -138.91 -142.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.775 -0.648 . . . . 20.0 109.735 -179.498 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 55' ' ' LYS . 14.3 mm-40 66.09 176.65 0.22 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.652 0.739 . . . . 20.0 112.135 175.28 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.33 14.01 7.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.249 -0.887 . . . . 20.0 109.747 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 m -102.01 86.69 2.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.509 -0.769 . . . . 20.0 110.967 -176.909 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -85.12 135.94 33.76 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.809 -0.441 . . . . 20.0 109.809 177.163 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.507 -0.758 . . . . 20.0 109.939 -179.588 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 121.007 0.432 . . . . 20.0 110.614 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -120.51 168.21 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.382 -179.014 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -160.8 130.65 5.02 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.481 -0.563 . . . . 20.0 109.481 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 63.8 tttp 66.26 104.32 0.04 OUTLIER 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.978 0.799 . . . . 20.0 110.894 -178.826 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.95 128.99 38.41 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.261 -0.644 . . . . 20.0 109.261 176.284 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -130.68 -66.87 0.74 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.994 0.426 . . . . 20.0 111.313 -173.501 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -81.46 94.9 6.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.964 -0.562 . . . . 20.0 109.833 -178.136 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.67 -10.95 59.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.623 -0.717 . . . . 20.0 110.739 -175.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 47.0 mmtm -90.96 -17.48 26.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 20.0 110.272 -179.198 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 68.99 -79.42 0.04 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.435 -0.802 . . . . 20.0 111.284 175.697 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -135.64 72.3 1.44 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.887 0.375 . . . . 20.0 110.172 179.356 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 56.5 61.6 2.62 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.557 -0.747 . . . . 20.0 111.361 178.165 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 3.0 tm? -75.34 -36.67 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.001 -0.545 . . . . 20.0 110.114 -179.21 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -129.22 99.66 21.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.446 -0.343 . . . . 20.0 111.151 -174.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.96 -48.56 17.76 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.77 2.313 . . . . 20.0 111.377 174.923 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.7 mtt 71.15 147.25 0.07 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.612 0.72 . . . . 20.0 112.447 174.736 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -102.38 68.13 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.499 -0.773 . . . . 20.0 109.53 177.625 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 p -78.89 45.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.642 -0.708 . . . . 20.0 111.187 -177.553 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -105.18 -7.32 19.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.679 -0.692 . . . . 20.0 110.507 -176.453 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -79.64 71.97 6.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.849 -0.614 . . . . 20.0 110.574 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 15' ' ' ILE . 35.0 mt-10 -69.31 163.49 24.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.214 -0.903 . . . . 20.0 110.557 -179.601 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.36 39.84 0.16 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.357 0.599 . . . . 20.0 112.534 -178.054 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.418 ' H ' ' C ' ' A' ' 13' ' ' GLU . 86.7 mt -145.77 -44.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 107.388 -1.338 . . . . 20.0 107.388 173.796 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -64.47 -38.83 92.37 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.189 -1.369 . . . . 20.0 111.366 178.828 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -57.68 -43.79 85.34 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.68 0.276 . . . . 20.0 111.362 -177.673 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 31.3 tt0 -66.59 -42.43 86.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.332 0.587 . . . . 20.0 110.315 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -67.22 -26.06 66.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.951 -179.52 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.9 m -61.49 -29.81 70.21 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.015 -0.539 . . . . 20.0 111.881 -175.804 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE2' ' HA ' ' A' ' 18' ' ' GLU . 52.2 p90 -104.93 -33.5 8.34 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.164 -0.614 . . . . 20.0 111.25 177.498 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -66.53 -61.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.982 -0.287 . . . . 20.0 111.703 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 23' ' ' GLU . 4.4 mm-40 -68.27 -34.35 76.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.232 . . . . 20.0 111.171 -176.744 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.86 -56.88 15.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 20.0 110.117 179.007 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.03 -42.8 96.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.349 -179.003 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -60.77 -33.69 73.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 20.0 111.04 -178.384 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 31' ' ' THR . . . -64.14 -41.84 97.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.807 0.337 . . . . 20.0 111.338 -179.573 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -78.2 -33.22 50.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.737 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.2 t -70.03 -51.9 35.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.411 -0.359 . . . . 20.0 111.114 178.462 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.78 101.7 2.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.763 0.316 . . . . 20.0 111.167 -177.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -75.99 92.66 3.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.431 -0.35 . . . . 20.0 110.681 176.828 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t 71.01 138.56 0.04 OUTLIER 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.686 -0.688 . . . . 20.0 111.173 -178.542 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.7 mt -93.64 -5.42 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.996 -0.547 . . . . 20.0 110.158 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.11 134.09 42.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.1 177.486 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 35.4 m-20 -79.3 121.69 83.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.518 -0.31 . . . . 20.0 110.876 -177.646 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 15.1 Cg_exo -69.48 66.93 1.6 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.093 2.528 . . . . 20.0 112.269 176.27 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 22.6 mmm180 -96.37 -46.55 0.25 Allowed Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.747 -0.661 . . . . 20.0 111.723 177.848 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 17.3 Cg_exo -67.14 148.74 81.52 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.648 1.565 . . . . 20.0 111.275 174.449 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 67.68 -170.83 0.19 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.774 0.671 . . . . 20.0 111.372 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.406 HG12 ' H ' ' A' ' 40' ' ' ILE . 9.1 pt -71.77 126.54 91.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.107 0.48 . . . . 20.0 111.75 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.14 149.49 32.27 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.621 2.214 . . . . 20.0 111.04 176.283 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -62.29 -19.83 63.68 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.05 0.389 . . . . 20.0 112.05 -174.325 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.13 -41.59 70.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.63 0.253 . . . . 20.0 110.659 177.424 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.4 -29.34 63.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.067 0.461 . . . . 20.0 110.088 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 49' ' ' MET . 90.4 t -62.97 -47.67 91.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.557 . . . . 20.0 110.367 176.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 40.7 mt-10 -76.44 -19.65 57.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.368 -0.378 . . . . 20.0 111.581 -179.461 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -85.19 -67.92 0.76 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.973 0.416 . . . . 20.0 111.197 176.484 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -83.5 -47.97 10.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 20.0 111.44 -172.832 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 95.4 mmm -72.92 -17.56 61.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.35 -0.386 . . . . 20.0 111.74 -174.26 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . -47.32 -40.89 18.15 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.675 0.62 . . . . 20.0 112.675 -178.781 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.84 -29.9 69.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.122 0.487 . . . . 20.0 110.933 -177.869 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -91.12 -26.95 18.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.923 -0.58 . . . . 20.0 110.383 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.02 -27.52 69.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.711 . . . . 20.0 110.237 178.54 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 -21.47 65.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.8 176.257 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -87.8 -36.17 17.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.302 177.086 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 48.6 tpp -78.43 -36.78 45.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.025 -0.534 . . . . 20.0 111.229 -177.154 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HA ' ' NE ' ' A' ' 57' ' ' ARG . 6.2 tpm_? -79.43 -10.15 59.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.26 0.552 . . . . 20.0 110.314 -179.401 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 3.4 ttmp? -76.72 122.95 25.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.708 -0.678 . . . . 20.0 110.088 178.435 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.06 154.94 40.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.989 -0.551 . . . . 20.0 110.157 -178.884 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.9 mtm180 -67.08 91.69 0.22 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 20.0 111.983 -174.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 t -102.79 -22.58 13.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.24 -0.652 . . . . 20.0 109.24 175.266 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.36 115.13 27.29 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.106 -0.701 . . . . 20.0 109.106 178.453 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.737 -0.649 . . . . 20.0 109.889 177.087 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.459 0.171 . . . . 20.0 110.909 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.46 -74.97 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.652 0.263 . . . . 20.0 111.354 -178.316 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.92 79.62 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.535 -0.302 . . . . 20.0 111.335 -174.541 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -128.41 2.05 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.711 0.291 . . . . 20.0 110.88 177.705 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -78.67 -43.42 26.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.448 -0.342 . . . . 20.0 110.699 -177.738 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -109.26 -68.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.789 0.328 . . . . 20.0 110.778 175.935 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -167.54 -174.42 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.424 -0.353 . . . . 20.0 110.885 -178.792 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.74 -44.24 90.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 20.0 111.74 -177.036 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -80.49 -36.01 33.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.606 -0.27 . . . . 20.0 110.671 -176.73 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 74.07 -40.93 0.47 Allowed 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.851 0.72 . . . . 20.0 112.327 174.768 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -133.52 39.52 3.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.714 0.292 . . . . 20.0 111.126 -177.019 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.36 -50.09 74.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 20.0 111.097 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 mp -96.62 81.89 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.191 -0.459 . . . . 20.0 109.766 178.542 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -68.93 135.6 89.75 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.445 179.661 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.03 84.56 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.781 2.321 . . . . 20.0 112.393 -179.074 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.8 ttt -91.45 55.79 2.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.538 0.685 . . . . 20.0 109.797 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.1 -8.06 10.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.606 -0.725 . . . . 20.0 110.502 -178.209 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 t -119.97 173.47 7.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.723 -0.671 . . . . 20.0 110.002 -178.85 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.87 -39.43 77.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.18 0.514 . . . . 20.0 109.898 177.15 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -99.0 134.06 42.37 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.565 -0.743 . . . . 20.0 109.968 177.059 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.72 -6.47 59.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.689 0.756 . . . . 20.0 109.921 177.522 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 p -86.71 65.73 9.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.461 -0.791 . . . . 20.0 111.88 -176.149 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.2 mt -75.08 -32.49 26.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.426 0.632 . . . . 20.0 109.653 176.277 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.24 -12.31 39.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.323 -0.853 . . . . 20.0 110.701 178.864 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -37.32 81.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.471 0.653 . . . . 20.0 109.445 175.77 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' HD2' ' A' ' 21' ' ' TYR . 35.8 mt-10 -73.98 -16.1 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.39 0.614 . . . . 20.0 110.283 -178.94 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -85.83 -17.03 36.82 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.491 -0.777 . . . . 20.0 109.456 176.577 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -65.92 -19.57 65.92 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.862 -0.608 . . . . 20.0 111.16 -179.031 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.432 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 97.5 m-85 -64.16 -27.95 69.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.155 0.502 . . . . 20.0 109.904 175.779 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -73.47 -34.03 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 20.0 109.884 175.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -71.13 -44.45 65.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.558 -0.746 . . . . 20.0 109.696 179.68 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -67.25 -17.69 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.652 -0.703 . . . . 20.0 111.148 178.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 tt -57.64 -41.92 82.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.301 178.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.463 ' H ' ' HD2' ' A' ' 26' ' ' ARG . 3.0 mpt_? -68.9 -28.84 67.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.318 0.58 . . . . 20.0 109.724 179.314 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.93 -0.07 26.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.469 -0.787 . . . . 20.0 111.347 -178.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -87.04 -25.08 24.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.062 0.458 . . . . 20.0 109.941 175.84 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -100.14 -17.79 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.249 0.547 . . . . 20.0 110.147 177.395 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.94 148.97 31.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.741 -178.749 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.3 m 59.96 48.0 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.429 0.633 . . . . 20.0 110.923 177.706 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.4 m -80.29 78.16 6.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.541 . . . . 20.0 110.515 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.05 29.6 7.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.089 -0.505 . . . . 20.0 110.532 -179.068 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 66.16 109.7 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 O-C-N 124.113 0.883 . . . . 20.0 111.695 179.498 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.56 127.16 65.77 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.887 176.837 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.36 1.28 9.15 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.534 2.156 . . . . 20.0 111.628 175.736 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -103.32 124.99 36.3 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.723 -0.671 . . . . 20.0 110.675 -178.508 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -74.35 130.26 13.8 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.177 1.918 . . . . 20.0 111.529 174.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.53 122.41 32.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.218 -0.446 . . . . 20.0 110.657 -177.435 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.4 mt -88.98 118.16 68.96 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.183 -0.462 . . . . 20.0 110.788 -179.343 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -57.59 118.65 5.56 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.399 2.066 . . . . 20.0 110.905 173.232 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -87.13 -30.56 20.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.92 0.341 . . . . 20.0 111.92 -172.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.672 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 28.5 t70 -63.87 -42.34 97.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 20.0 110.221 -178.924 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -56.16 -43.45 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.8 -0.637 . . . . 20.0 111.229 178.182 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.87 -42.15 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.46 -178.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.72 -35.43 76.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 20.0 110.447 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 25.6 mmt180 -58.84 -45.35 90.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 20.0 110.922 179.361 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.4 -38.04 89.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.974 0.416 . . . . 20.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.7 mtt -69.84 -41.47 74.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.237 179.045 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.41 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.609 -0.723 . . . . 20.0 111.251 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 43.1 mt-10 -63.24 -26.38 68.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.048 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -78.35 -47.18 18.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.218 -0.446 . . . . 20.0 109.942 176.813 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.485 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 36.5 m-85 -67.05 -34.45 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 20.0 111.029 -179.05 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.67 92.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.369 -0.378 . . . . 20.0 111.173 179.49 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -68.12 -26.04 65.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.216 0.531 . . . . 20.0 110.307 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.8 ttp -70.3 -17.49 63.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.64 -0.709 . . . . 20.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 53' ' ' PHE . 2.8 mpt_? -84.29 10.67 9.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.334 176.108 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 68.62 102.44 0.05 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.352 -0.84 . . . . 20.0 111.367 179.172 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 70.41 159.41 0.19 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.416 -0.811 . . . . 20.0 112.061 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -120.94 2.56 10.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.539 -0.755 . . . . 20.0 110.543 -176.871 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.5 t 60.22 40.65 17.74 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.294 -0.867 . . . . 20.0 110.196 -179.032 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -121.38 143.72 49.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.832 -0.622 . . . . 20.0 110.198 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.391 -0.814 . . . . 20.0 109.649 175.844 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.787 0.327 . . . . 20.0 110.961 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -85.63 135.57 33.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.211 -0.292 . . . . 20.0 110.211 -179.754 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -119.82 161.61 20.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.493 179.026 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 64.05 26.37 14.01 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.835 0.709 . . . . 20.0 110.516 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -164.08 152.5 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.248 -0.887 . . . . 20.0 109.026 179.443 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -110.49 4.45 20.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.099 0.407 . . . . 20.0 112.099 -175.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.45 100.34 9.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.645 -0.502 . . . . 20.0 109.645 177.464 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -82.44 0.32 42.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.627 -0.715 . . . . 20.0 110.933 -175.436 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -91.23 -21.13 21.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.012 -0.54 . . . . 20.0 111.17 179.322 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.1 m-20 64.12 24.06 13.37 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.542 -0.753 . . . . 20.0 110.045 -176.825 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -119.02 13.87 13.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.976 -0.556 . . . . 20.0 111.13 -172.62 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.98 -33.58 63.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.368 0.604 . . . . 20.0 109.791 175.13 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -118.71 158.15 26.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.247 -0.888 . . . . 20.0 108.839 175.879 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m 73.76 132.21 0.04 OUTLIER Pre-proline 0 C--O 1.236 0.35 0 O-C-N 123.91 0.756 . . . . 20.0 111.298 178.859 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.67 138.65 38.6 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.423 2.082 . . . . 20.0 111.221 177.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.7 ttp -79.33 68.51 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.466 0.65 . . . . 20.0 110.428 -177.3 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.9 m -91.11 22.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.745 -0.661 . . . . 20.0 110.563 178.666 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.4 p -81.05 58.57 3.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.554 -0.748 . . . . 20.0 110.777 -179.235 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.36 21.58 7.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.661 0.743 . . . . 20.0 110.458 179.773 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -84.81 164.32 18.55 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.847 -1.069 . . . . 20.0 109.772 177.783 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -85.91 26.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.451 . . . . 20.0 110.779 178.437 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 p -115.0 34.04 5.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.992 -0.549 . . . . 20.0 111.284 -178.908 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.0 mt -82.8 -52.34 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 20.0 109.655 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.42 -44.32 97.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.314 -0.857 . . . . 20.0 110.147 177.59 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.28 -37.11 81.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.488 -0.778 . . . . 20.0 110.903 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.87 -38.39 88.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 20.0 110.292 -178.984 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -68.01 -31.36 70.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.756 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -71.52 -37.8 71.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.158 0.504 . . . . 20.0 109.807 175.289 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.509 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 83.6 t80 -67.34 -36.1 80.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.027 178.355 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.404 ' HA ' HD12 ' A' ' 25' ' ' LEU . 6.4 t30 -58.81 -33.68 70.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.451 -0.795 . . . . 20.0 111.192 178.713 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.77 -34.46 78.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.307 -0.406 . . . . 20.0 110.751 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 16.7 m0 -76.66 -22.55 53.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.141 -0.482 . . . . 20.0 110.796 -179.708 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 22' ' ' ASN . 91.5 mt -66.37 -22.04 66.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 20.0 110.956 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -65.3 -19.85 66.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 20.0 110.739 178.289 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.99 -15.37 32.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 20.0 111.196 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -74.43 -34.76 63.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.708 -176.847 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.91 -10.6 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.352 0.596 . . . . 20.0 110.516 178.992 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.34 62.21 5.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.299 0.571 . . . . 20.0 110.598 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.2 m -110.85 141.5 44.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.743 -0.662 . . . . 20.0 110.162 179.03 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 m 59.62 71.42 0.58 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.103 0.478 . . . . 20.0 110.761 177.741 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 33' ' ' LEU . 2.6 mm? -85.83 120.81 27.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.011 -0.541 . . . . 20.0 110.188 -178.608 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -121.04 82.26 1.9 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.123 -0.49 . . . . 20.0 109.875 177.111 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -75.08 127.17 87.14 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.739 -0.664 . . . . 20.0 110.654 -178.159 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.03 46.58 2.23 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.018 2.479 . . . . 20.0 112.096 178.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' H ' ' HD2' ' A' ' 38' ' ' PRO . 98.5 mtt180 -89.36 -52.08 0.35 Allowed Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.477 -0.783 . . . . 20.0 110.97 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD2' ' H ' ' A' ' 37' ' ' ARG . 53.3 Cg_endo -70.28 142.43 45.61 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.714 1.61 . . . . 20.0 111.632 174.745 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.56 133.97 51.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.091 -0.504 . . . . 20.0 110.265 179.343 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.467 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 17.8 pt -67.07 122.84 84.48 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.28 -0.418 . . . . 20.0 111.194 -177.623 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 40' ' ' ILE . 15.3 Cg_exo -68.23 163.26 36.9 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.993 2.462 . . . . 20.0 111.743 178.76 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 11.3 p-80 -68.05 -15.66 63.69 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.404 -0.362 . . . . 20.0 110.697 -176.891 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -68.24 -22.2 64.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.381 -0.372 . . . . 20.0 110.906 177.194 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 10.4 mm-40 -70.96 -40.54 71.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.36 -0.607 . . . . 20.0 109.36 174.859 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.53 -35.09 71.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.424 -0.807 . . . . 20.0 110.212 177.359 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 14.7 mm-40 -57.79 -44.38 86.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 20.0 110.959 178.105 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.606 ' HA ' ' HB2' ' A' ' 51' ' ' GLU . 18.2 ptt180 -80.77 -19.18 45.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.346 -0.541 . . . . 20.0 111.442 -177.664 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 2.7 mmp_? -60.2 -53.36 58.63 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.72 -0.474 . . . . 20.0 109.72 173.1 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.402 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 22.6 ptp -92.13 -53.73 4.13 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.052 0.76 . . . . 20.0 113.052 -177.449 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 49' ' ' MET . . . -91.87 -65.18 1.03 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.297 0.851 . . . . 20.0 113.297 -169.649 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . 28.9 mt-10 -62.45 -17.01 58.44 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.104 0.409 . . . . 20.0 112.104 -169.877 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HD3' ' O ' ' A' ' 48' ' ' ARG . 34.4 ptt180 -54.22 -27.91 37.67 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.697 0.284 . . . . 20.0 110.713 175.084 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' O ' ' HG3' ' A' ' 56' ' ' MET . 33.0 t80 -63.39 -44.02 95.92 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.983 -0.377 . . . . 20.0 109.983 176.843 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 58' ' ' LYS . . . -67.14 -37.26 83.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.283 0.564 . . . . 20.0 109.98 175.653 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.23 -39.73 87.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.223 -0.898 . . . . 20.0 111.299 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.609 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 5.5 ppp? -78.28 -21.1 50.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.739 0.304 . . . . 20.0 110.943 -179.675 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 84.6 mtp180 -79.73 -37.09 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 20.0 110.69 178.621 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 58.5 pttt -87.97 15.42 7.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 20.0 110.822 177.662 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 63.22 35.38 12.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.428 -0.805 . . . . 20.0 112.484 170.936 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.81 115.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.404 0.44 . . . . 20.0 111.633 178.331 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.0 m -85.38 37.48 0.68 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.218 -0.301 . . . . 20.0 111.668 -177.19 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 59.88 84.55 0.12 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.835 -0.621 . . . . 20.0 111.626 179.336 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.663 -0.684 . . . . 20.0 109.623 176.935 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 67.8 mtt . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.803 0.335 . . . . 20.0 110.749 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -133.74 -83.66 0.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.937 0.399 . . . . 20.0 110.34 177.605 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' -5' ' ' TYR . . . . . 0.426 ' C ' ' HD2' ' A' ' -4' ' ' LYS . 82.3 t80 -160.11 86.79 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.247 177.602 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.541 ' NZ ' ' HB3' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -169.11 92.71 0.27 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.382 0.611 . . . . 20.0 110.208 175.315 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.97 12.54 11.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.808 -0.633 . . . . 20.0 109.943 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.54 ' OD2' ' HA ' ' A' ' 2' ' ' ASN . 13.4 t70 -71.94 -36.46 69.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.349 -0.841 . . . . 20.0 110.478 -174.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 70.12 157.12 0.16 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.357 -0.838 . . . . 20.0 110.624 178.228 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.54 -6.52 15.3 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.985 0.422 . . . . 20.0 111.692 -177.251 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -90.84 -4.94 56.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.908 -0.587 . . . . 20.0 110.225 176.849 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.54 ' HA ' ' OD2' ' A' ' -2' ' ' ASP . 3.6 t-20 50.07 55.25 9.73 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.314 0.487 . . . . 20.0 112.314 169.328 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 66.24 7.25 4.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.221 -0.899 . . . . 20.0 112.524 173.769 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.47 50.86 1.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.174 0.511 . . . . 20.0 111.505 -176.895 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -122.56 11.39 9.87 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.809 0.814 . . . . 20.0 109.013 176.114 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -90.17 114.65 61.7 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 114.961 -1.018 . . . . 20.0 110.045 177.249 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.87 -19.58 23.41 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.413 2.075 . . . . 20.0 113.224 -176.118 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.7 ttt 59.3 60.04 2.48 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.839 0.828 . . . . 20.0 109.469 -176.428 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.8 p -81.43 133.99 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.364 -0.835 . . . . 20.0 111.222 -175.971 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 p -135.68 44.77 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.425 0.631 . . . . 20.0 110.046 176.309 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -99.85 -12.59 19.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.476 -0.784 . . . . 20.0 111.28 -174.898 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.79 114.29 4.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.736 -0.468 . . . . 20.0 109.736 179.102 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -150.04 85.59 1.41 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.081 -0.509 . . . . 20.0 109.705 -177.159 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.425 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 1.3 p -149.36 131.06 15.0 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.269 -0.423 . . . . 20.0 111.096 -178.947 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' A' ' 14' ' ' THR . 48.4 mm 77.14 -48.63 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 115.705 -0.68 . . . . 20.0 112.326 177.058 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -37.75 83.35 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.792 0.293 . . . . 20.0 111.792 -173.698 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 20' ' ' SER . 15.8 mm100 -67.33 -15.51 63.73 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.044 0.387 . . . . 20.0 112.044 -175.82 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -67.55 -47.66 69.2 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.763 -0.458 . . . . 20.0 109.763 177.434 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -86.49 -29.14 22.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.998 -0.547 . . . . 20.0 110.89 179.139 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 17' ' ' GLN . 19.2 m -70.8 -17.06 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.707 -0.224 . . . . 20.0 110.992 179.627 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -66.24 -37.44 85.53 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.541 -0.54 . . . . 20.0 109.541 174.684 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.6 t-20 -61.25 -43.78 98.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.783 -0.644 . . . . 20.0 109.602 175.784 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -64.38 -53.97 40.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.807 -0.633 . . . . 20.0 110.822 177.498 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.462 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 54.5 t90 -61.67 -38.12 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 20.0 111.635 -175.764 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.97 -44.55 97.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 20.0 110.998 -177.062 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 18.3 ptt180 -85.88 -9.85 56.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.004 0.43 . . . . 20.0 111.057 179.377 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.92 -6.29 58.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.825 176.233 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 29.3 mtpp -65.43 -17.85 64.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 20.0 111.092 178.895 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.9 p -80.85 -17.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.305 0.574 . . . . 20.0 110.354 177.912 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.34 74.85 9.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.281 -178.099 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -132.03 24.88 4.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.541 -0.754 . . . . 20.0 109.932 179.031 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 m -81.15 -15.68 55.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.53 -0.759 . . . . 20.0 110.843 -177.523 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.3 tp -72.86 -29.59 63.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.123 0.487 . . . . 20.0 110.016 178.202 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.93 65.71 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 20.0 109.667 174.064 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -65.27 134.93 95.91 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.689 -178.002 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -63.64 149.23 91.42 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.141 2.561 . . . . 20.0 112.479 -174.015 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -90.18 131.51 38.6 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.915 -0.584 . . . . 20.0 110.106 -179.002 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.07 47.87 1.87 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.697 2.264 . . . . 20.0 111.815 176.586 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.45 59.64 0.33 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.135 -0.938 . . . . 20.0 109.61 -178.793 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.22 124.41 68.4 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.435 -0.802 . . . . 20.0 110.368 -177.543 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -77.4 142.14 20.81 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.375 2.05 . . . . 20.0 111.833 177.631 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -72.34 -7.61 50.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.205 0.526 . . . . 20.0 110.114 178.184 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.565 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 15.9 m-20 -67.16 -23.08 65.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.421 -0.809 . . . . 20.0 110.166 175.134 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.42 -37.72 84.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.683 -0.69 . . . . 20.0 110.4 -179.643 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.71 -42.78 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.705 -0.68 . . . . 20.0 110.193 177.767 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -63.45 -37.61 87.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 20.0 110.622 179.136 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 42.1 mtp-105 -62.2 -47.82 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.952 0.406 . . . . 20.0 110.397 178.623 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -71.5 -33.19 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 20.0 110.917 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 46.4 tpp -68.22 -34.52 76.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.182 0.515 . . . . 20.0 109.706 177.775 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.53 96.01 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.826 -0.624 . . . . 20.0 110.218 174.378 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.21 -46.8 88.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.633 . . . . 20.0 110.073 175.919 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.58 -49.81 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.317 -0.856 . . . . 20.0 110.471 -177.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.33 -40.6 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 20.0 111.143 -178.662 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.76 -53.15 36.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.986 -0.552 . . . . 20.0 111.742 -176.647 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -80.69 -12.13 59.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.518 -0.31 . . . . 20.0 111.706 -174.583 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.4 ttp -62.7 -43.84 97.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.013 0.435 . . . . 20.0 110.388 177.66 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -97.57 -29.36 13.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.772 -0.649 . . . . 20.0 109.937 176.703 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 0.4 OUTLIER 72.85 -50.29 0.7 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.846 0.858 . . . . 20.0 111.524 177.126 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.74 88.94 6.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.124 0.487 . . . . 20.0 110.687 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 61' ' ' SER . 52.3 mtp180 -78.96 116.88 19.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.706 -0.679 . . . . 20.0 109.836 177.696 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 60' ' ' ARG . 41.3 t 70.81 120.6 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.198 0 O-C-N 123.893 0.746 . . . . 20.0 110.884 -178.941 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -70.53 -22.17 62.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.251 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.625 -0.716 . . . . 20.0 110.607 -178.22 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 17.8 ptp . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 121.381 0.61 . . . . 20.0 110.642 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.56 -8.67 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.33 0.586 . . . . 20.0 110.519 -178.573 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -94.4 75.03 3.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.19 -0.67 . . . . 20.0 109.19 178.44 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.59 ' HA ' ' HB2' ' A' ' 0' ' ' ASP . 69.3 mmtt -134.93 30.46 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.299 -0.409 . . . . 20.0 111.736 -174.656 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -128.91 -24.69 2.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.002 0.371 . . . . 20.0 112.002 -176.85 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.24 -67.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.721 0.296 . . . . 20.0 110.903 -178.206 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -115.49 -27.1 7.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 20.0 110.735 179.128 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 0' ' ' ASP . . . . . 0.59 ' HB2' ' HA ' ' A' ' -4' ' ' LYS . 1.9 m-20 -72.41 0.78 9.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.804 -0.635 . . . . 20.0 112.26 -173.714 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -85.76 -22.8 27.55 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.792 0.33 . . . . 20.0 110.456 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -73.93 -62.85 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.299 -0.41 . . . . 20.0 110.237 -178.271 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 60.97 -154.38 0.37 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.62 178.496 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 74.29 -36.28 0.33 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.456 0.702 . . . . 20.0 111.445 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -135.26 130.56 35.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.759 -0.459 . . . . 20.0 109.759 174.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -141.15 83.82 13.44 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.488 -0.56 . . . . 20.0 109.488 179.172 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -92.1 19.37 0.99 Allowed 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.014 2.476 . . . . 20.0 112.862 -177.483 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.0 ptm -138.57 42.58 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.422 . . . . 20.0 111.017 -178.464 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.9 t -73.0 -41.03 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 20.0 110.497 -178.013 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.8 t 73.68 -9.42 1.21 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.556 -0.747 . . . . 20.0 111.763 176.92 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -125.09 158.17 34.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.973 0.416 . . . . 20.0 111.151 -177.515 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CD2' ' HG3' ' A' ' 13' ' ' GLU . 41.0 t80 -147.8 141.0 25.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.475 -0.784 . . . . 20.0 108.936 174.854 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' HG3' ' CD2' ' A' ' 12' ' ' PHE . 46.7 mt-10 73.98 -40.43 0.46 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.417 0.687 . . . . 20.0 112.129 -178.962 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.1 p -71.15 133.56 46.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.069 0.461 . . . . 20.0 111.744 -176.541 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.571 HG22 ' H ' ' A' ' 18' ' ' GLU . 57.8 mt -131.76 91.55 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.868 -0.605 . . . . 20.0 109.968 178.235 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -34.2 70.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.95 -0.568 . . . . 20.0 111.08 -178.138 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.64 -39.03 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 20.0 111.142 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.571 ' H ' HG22 ' A' ' 15' ' ' ILE . 43.3 tt0 -78.13 -29.08 48.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.264 0.554 . . . . 20.0 109.932 -179.27 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -64.12 -25.21 67.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.64 -0.709 . . . . 20.0 111.337 -179.144 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.0 p -61.2 -48.16 82.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.859 0.362 . . . . 20.0 110.026 -179.77 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -59.28 -37.83 78.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.221 178.316 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -67.11 -43.94 81.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.453 -0.794 . . . . 20.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -68.1 -42.85 79.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.106 -177.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -67.11 -28.05 67.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 20.0 110.855 177.907 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 58.7 tp -74.13 -36.06 64.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.195 0.521 . . . . 20.0 109.79 176.68 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.483 ' NH1' ' HA ' ' A' ' 30' ' ' ALA . 3.1 tmt_? -74.44 -31.99 62.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.779 -0.646 . . . . 20.0 109.798 178.96 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.87 92.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.918 -0.583 . . . . 20.0 112.073 -178.188 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -72.72 -20.57 61.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 20.0 110.556 -178.832 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -85.62 -63.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.024 176.654 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' NH1' ' A' ' 26' ' ' ARG . . . 49.94 37.73 14.54 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.801 0.44 . . . . 20.0 112.062 -179.585 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m 53.18 31.12 10.92 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.538 0.685 . . . . 20.0 111.171 -178.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -138.76 28.23 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.359 0.599 . . . . 20.0 109.669 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tt -154.97 95.84 1.79 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.801 -0.814 . . . . 20.0 108.801 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -138.74 106.04 5.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.855 -178.025 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 33.9 m-20 -70.46 135.47 86.38 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.43 -0.581 . . . . 20.0 109.43 177.408 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 14.6 Cg_exo -69.47 -1.04 7.55 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.755 2.303 . . . . 20.0 112.474 -179.191 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 63.1 83.26 0.2 Allowed Pre-proline 0 CA--C 1.529 0.135 0 CA-C-N 115.195 -0.911 . . . . 20.0 111.04 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.48 112.1 2.28 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.58 2.187 . . . . 20.0 111.34 178.439 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.29 81.19 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.025 -0.534 . . . . 20.0 111.312 -176.435 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.86 120.61 82.41 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.656 -0.702 . . . . 20.0 109.465 177.983 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -63.38 127.04 18.98 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.194 1.929 . . . . 20.0 111.742 -177.857 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.453 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 13.9 p-80 -63.88 -21.37 66.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.692 -179.262 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -62.35 -39.72 94.04 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.09 0.471 . . . . 20.0 110.12 175.275 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -73.69 -37.98 65.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.476 -0.784 . . . . 20.0 110.234 -178.648 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.28 -42.1 86.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.245 179.11 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 48.8 mt-10 -58.11 -44.5 87.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.206 0.527 . . . . 20.0 110.963 176.818 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -74.32 -31.37 62.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.548 -177.003 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -74.43 -43.05 57.99 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.747 -0.66 . . . . 20.0 109.973 178.626 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.8 tpp -68.68 -24.12 64.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.707 -178.147 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -57.57 -32.81 67.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 20.0 110.958 176.809 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.56 -23.34 53.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.039 178.493 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -81.4 -19.04 43.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.133 0.492 . . . . 20.0 109.896 179.322 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.496 ' O ' ' HG2' ' A' ' 56' ' ' MET . 20.9 m-85 -73.6 -9.32 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.83 -0.623 . . . . 20.0 111.055 177.614 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.43 -15.26 10.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 20.0 112.065 -178.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -63.89 -17.34 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 20.0 111.261 178.381 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 25.2 ptt? -71.31 7.05 1.44 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.156 0.503 . . . . 20.0 111.257 178.927 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -60.77 -28.03 68.42 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.137 -0.69 . . . . 20.0 109.137 171.856 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -88.15 11.2 16.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 20.0 111.049 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.17 -32.8 17.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.905 0.383 . . . . 20.0 110.602 -179.1 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -119.27 24.87 10.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.318 -0.401 . . . . 20.0 111.457 -175.308 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.8 m 51.15 54.43 11.2 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.544 -0.753 . . . . 20.0 111.551 178.507 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -88.0 91.24 8.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.223 0.535 . . . . 20.0 110.807 -177.655 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.384 -0.817 . . . . 20.0 110.558 178.805 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.022 0.439 . . . . 20.0 110.862 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -123.88 -171.38 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.715 -0.476 . . . . 20.0 109.715 177.966 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -70.32 144.91 51.56 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.905 -0.406 . . . . 20.0 109.905 176.826 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -99.97 126.06 46.08 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.966 -0.383 . . . . 20.0 109.966 177.246 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.1 t0 69.47 123.91 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.282 0.989 . . . . 20.0 110.31 -175.411 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.53 -19.71 60.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.771 -176.339 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -115.2 50.82 0.95 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.018 -179.406 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -55.01 -19.63 7.37 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.828 0.677 . . . . 20.0 112.828 -173.594 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -64.89 -40.67 95.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.561 0.22 . . . . 20.0 111.582 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -133.76 -36.55 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.694 0.283 . . . . 20.0 111.175 -178.509 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 72.78 -59.32 0.57 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.176 0.99 . . . . 20.0 111.719 177.163 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.87 116.44 1.03 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.566 -0.531 . . . . 20.0 109.566 179.503 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.505 HD11 ' O ' ' A' ' 56' ' ' MET . 31.1 tp -84.43 -28.33 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.284 0.564 . . . . 20.0 109.882 -179.565 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -124.79 74.85 65.0 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.336 -0.987 . . . . 20.0 108.336 171.677 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -69.72 -31.08 21.39 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.537 2.158 . . . . 20.0 112.771 -171.21 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.0 mtm 71.23 -44.54 0.59 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.857 0.723 . . . . 20.0 110.776 -177.166 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.3 p -82.11 143.74 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.35 -0.611 . . . . 20.0 109.35 172.612 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 m 71.88 135.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.684 0.615 . . . . 20.0 110.704 -177.242 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 65.44 96.41 0.05 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.908 -0.587 . . . . 20.0 111.015 -176.198 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.497 ' H ' HD11 ' A' ' 15' ' ' ILE . 95.6 m-85 -77.88 69.6 4.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.829 -0.623 . . . . 20.0 111.242 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 59.79 85.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.776 -0.647 . . . . 20.0 111.199 178.622 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p 52.5 84.46 0.05 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.633 -0.712 . . . . 20.0 112.115 179.399 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.497 HD11 ' H ' ' A' ' 12' ' ' PHE . 32.2 mm -59.28 125.04 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.331 -0.85 . . . . 20.0 110.431 177.441 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.68 -24.63 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 20.0 111.715 -177.282 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' H ' HG22 ' A' ' 15' ' ' ILE . 96.5 mt-30 -65.98 -24.59 66.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.469 -0.332 . . . . 20.0 110.627 178.441 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -70.68 -7.09 42.0 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.358 0.599 . . . . 20.0 110.142 -178.84 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.6 m-20 -67.62 -22.59 65.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.93 -0.396 . . . . 20.0 109.93 174.013 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' ' HD1' ' A' ' 24' ' ' TRP . 14.3 t -70.45 -20.79 62.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 20.0 109.926 178.757 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.477 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 92.4 t80 -59.96 -32.2 70.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.267 176.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.02 -30.87 71.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.791 -0.64 . . . . 20.0 110.555 178.882 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.07 -42.13 89.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 20.0 110.045 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.438 ' HD1' ' O ' ' A' ' 20' ' ' SER . 58.0 m95 -66.82 -25.14 66.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.817 -0.629 . . . . 20.0 110.532 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 21' ' ' TYR . 84.4 mt -75.81 -47.69 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.979 -0.555 . . . . 20.0 110.038 176.427 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -65.91 -29.58 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 20.0 111.083 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.98 96.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.131 0.491 . . . . 20.0 110.398 175.295 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -71.68 -39.05 70.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.615 -0.72 . . . . 20.0 110.83 178.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 25' ' ' LEU . 84.4 t -63.31 -35.41 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.011 0.434 . . . . 20.0 111.03 179.333 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.74 -22.66 66.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 20.0 110.778 178.729 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.4 p -109.2 58.94 0.6 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.537 179.036 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.3 p -76.07 77.89 2.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.906 -0.588 . . . . 20.0 111.406 -177.74 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.2 tp -76.03 -29.26 58.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.066 -0.515 . . . . 20.0 109.771 177.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.97 137.2 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 20.0 110.358 177.942 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -70.77 137.22 85.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.84 -17.8 52.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.81 2.34 . . . . 20.0 112.037 178.343 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 61.55 104.37 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.233 0 O-C-N 123.788 0.68 . . . . 20.0 112.022 171.089 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -50.92 140.87 38.02 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 123.023 2.482 . . . . 20.0 112.051 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 72.23 140.39 0.05 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.999 0.812 . . . . 20.0 111.507 -177.716 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.5 mt 67.17 91.45 0.07 OUTLIER Pre-proline 0 C--O 1.234 0.26 0 CA-C-N 115.41 -0.814 . . . . 20.0 110.833 -176.593 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -67.25 119.83 6.86 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.955 2.436 . . . . 20.0 111.601 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.75 -28.55 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.508 -0.315 . . . . 20.0 110.98 -177.804 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.05 -26.97 64.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.855 0.359 . . . . 20.0 110.138 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -75.22 -33.85 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.241 0.544 . . . . 20.0 110.683 176.586 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 49' ' ' MET . 60.4 t -74.15 -44.59 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.8 -0.636 . . . . 20.0 110.295 179.128 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.47 -42.89 99.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.497 -0.774 . . . . 20.0 111.424 -178.61 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -69.07 -22.42 64.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 20.0 110.837 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -81.15 -29.64 34.66 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.499 -0.556 . . . . 20.0 109.499 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.3 mmt -66.13 -28.46 68.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.657 -0.701 . . . . 20.0 110.266 175.595 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.37 90.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.767 177.38 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -67.08 -34.13 77.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 20.0 110.467 177.816 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.43 -33.19 73.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.993 -0.548 . . . . 20.0 110.781 178.673 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -62.08 -32.9 73.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.148 0.499 . . . . 20.0 110.497 177.694 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.9 -33.38 75.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.939 -0.573 . . . . 20.0 110.374 177.351 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -83.67 -22.31 32.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.309 177.083 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.505 ' O ' HD11 ' A' ' 5' ' ' LEU . 1.9 tmt? -65.07 -46.81 79.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 20.0 109.547 174.439 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -64.88 -42.94 94.4 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.518 -0.549 . . . . 20.0 109.518 176.787 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.5 tptt 66.23 114.86 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.932 0.716 . . . . 20.0 112.932 170.597 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 69.24 92.08 0.09 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.817 -1.083 . . . . 20.0 112.073 174.746 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -122.29 -178.88 4.0 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.322 -0.622 . . . . 20.0 109.322 174.102 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.4 p 47.12 80.98 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.501 0.501 . . . . 20.0 111.034 -176.74 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -55.88 128.06 33.28 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.058 -0.519 . . . . 20.0 111.222 -176.069 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.675 -0.679 . . . . 20.0 109.803 -179.627 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' -7' ' ' MET . . . . . 0.646 ' HA ' ' O ' ' A' ' -3' ' ' ASP . 71.2 mtm . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 120.69 0.281 . . . . 20.0 111.285 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.82 -51.34 70.0 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.006 -0.543 . . . . 20.0 111.57 -175.648 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -89.53 -72.75 0.54 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.936 -0.575 . . . . 20.0 110.115 -178.423 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -117.53 160.26 21.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.784 -0.644 . . . . 20.0 109.292 179.754 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.646 ' O ' ' HA ' ' A' ' -7' ' ' MET . 38.7 t70 62.39 74.6 0.43 Allowed 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.555 0.535 . . . . 20.0 110.321 176.68 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.36 -60.07 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.582 -0.735 . . . . 20.0 111.891 -174.026 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -83.03 102.8 12.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.552 0.692 . . . . 20.0 110.496 179.764 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.45 -39.77 22.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.56 -0.745 . . . . 20.0 110.255 -179.402 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -82.12 -10.85 59.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.617 -0.719 . . . . 20.0 110.271 -179.126 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.9 m120 64.19 50.13 2.47 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.218 -0.901 . . . . 20.0 110.448 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 3' ' ' ARG . 42.1 ttp180 -75.59 62.79 1.47 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.521 0.677 . . . . 20.0 111.022 -177.416 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.97 -50.93 0.6 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.468 -0.787 . . . . 20.0 109.023 175.293 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -109.7 42.48 1.49 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.369 -0.832 . . . . 20.0 108.87 171.475 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.36 130.47 94.21 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.973 -1.012 . . . . 20.0 111.459 -176.47 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.31 131.58 28.75 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.804 2.336 . . . . 20.0 112.082 -179.816 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 ttp 63.81 78.52 0.29 Allowed 'General case' 0 C--N 1.331 -0.197 0 O-C-N 123.782 0.676 . . . . 20.0 110.092 -177.846 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.49 -9.45 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.587 -0.733 . . . . 20.0 110.425 -178.544 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.7 p 48.89 85.55 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.411 0.684 . . . . 20.0 112.163 174.276 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -88.8 149.53 23.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.837 -0.62 . . . . 20.0 110.292 -179.671 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -138.82 135.41 34.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 72.43 148.42 0.09 Allowed 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.783 0.677 . . . . 20.0 112.45 175.445 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p 54.91 22.36 4.25 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.078 0.951 . . . . 20.0 112.781 177.566 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.0 mt -71.24 -42.24 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.022 -0.535 . . . . 20.0 110.419 -178.323 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -63.92 -29.18 70.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 20.0 110.604 179.608 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.28 -45.03 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 20.0 110.239 -179.089 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.48 -36.26 83.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.511 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -68.07 -37.03 80.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.47 176.015 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -67.96 -21.94 65.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.146 0.498 . . . . 20.0 110.549 178.158 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -85.65 -41.91 14.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.93 -0.577 . . . . 20.0 109.872 177.762 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.71 -37.39 84.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 20.0 111.195 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.79 -34.46 77.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.903 0.382 . . . . 20.0 110.274 179.08 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -67.75 -40.48 84.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.989 -0.551 . . . . 20.0 109.993 176.466 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.57 -31.37 72.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.26 0.552 . . . . 20.0 110.425 177.712 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.483 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 45.0 ttp180 -76.58 -29.55 56.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.69 179.193 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.62 -31.69 20.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.569 -177.813 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -69.73 -69.56 0.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.423 -0.353 . . . . 20.0 110.654 -178.537 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t -99.96 -69.12 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.857 -0.337 . . . . 20.0 110.695 177.365 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.483 ' O ' ' HA ' ' A' ' 26' ' ' ARG . . . -166.4 -47.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.078 0.466 . . . . 20.0 110.391 -179.797 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.6 m -157.07 -54.67 0.08 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.903 -0.589 . . . . 20.0 109.552 176.384 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 m 50.93 45.86 27.04 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.135 0.493 . . . . 20.0 111.773 174.887 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.94 94.1 2.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.473 -0.936 . . . . 20.0 108.473 177.499 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.03 -166.17 0.19 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.684 -175.795 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.7 m-20 -80.35 143.71 56.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-O 120.596 0.236 . . . . 20.0 110.475 178.563 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 24.0 Cg_exo -65.31 -15.18 48.82 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.809 2.339 . . . . 20.0 111.287 174.842 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -124.5 76.23 62.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 20.0 109.437 174.818 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -79.14 166.84 22.44 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.891 2.394 . . . . 20.0 112.274 -176.018 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 126.42 27.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.226 177.478 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt 65.85 99.11 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 O-C-N 123.837 0.711 . . . . 20.0 110.237 -173.189 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -55.43 124.52 16.48 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.881 2.387 . . . . 20.0 112.178 -179.041 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -65.63 -24.13 66.97 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.348 -0.387 . . . . 20.0 110.475 -178.271 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.45 -35.1 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.398 178.862 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -66.74 -46.67 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.638 -0.71 . . . . 20.0 109.895 178.587 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.16 -49.05 84.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.48 -0.782 . . . . 20.0 110.706 -179.666 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.41 -35.85 80.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.887 -176.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 47' ' ' ARG . 1.3 tpm_? -62.6 -48.97 77.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.959 -0.564 . . . . 20.0 110.153 178.693 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -73.58 -26.56 60.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 20.0 110.638 -179.677 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.41 ' HA ' ' HB3' ' A' ' 52' ' ' ARG . 49.4 tpp -64.57 -35.73 81.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.578 . . . . 20.0 111.021 -179.449 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.07 84.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.068 0.461 . . . . 20.0 110.663 178.625 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.49 -22.13 28.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 20.0 110.29 178.092 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HB3' ' HA ' ' A' ' 49' ' ' MET . 26.0 tpt180 -64.43 -33.79 76.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 20.0 110.056 177.361 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -56.4 -39.71 73.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.362 177.462 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.24 -30.64 54.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.013 -0.54 . . . . 20.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -78.28 -28.18 47.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.167 0.508 . . . . 20.0 110.724 -178.492 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.5 tpt -89.94 10.0 25.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.322 0.582 . . . . 20.0 110.39 -179.808 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.52 -46.09 91.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.295 179.195 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -96.83 99.79 11.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.585 0.707 . . . . 20.0 109.859 175.119 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' CD ' ' HA ' ' A' ' 62' ' ' LYS . 42.4 tt0 -85.65 106.62 17.06 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.468 -0.787 . . . . 20.0 110.516 -176.356 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -0.6 52.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 20.0 110.973 -178.088 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.7 t -167.16 123.51 1.15 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.844 -0.798 . . . . 20.0 108.844 178.664 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' HA ' ' CD ' ' A' ' 59' ' ' GLU . 20.4 tptm -60.3 115.64 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.928 0.394 . . . . 20.0 111.35 -174.75 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.354 -0.831 . . . . 20.0 110.19 178.812 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 50.7 ttm . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.705 0.288 . . . . 20.0 110.774 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -144.41 104.86 4.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.803 0.335 . . . . 20.0 111.164 -178.416 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -108.36 134.5 51.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.507 -0.553 . . . . 20.0 109.507 177.027 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -80.66 81.23 6.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.227 0.537 . . . . 20.0 109.631 -179.485 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.442 ' HB2' ' OD1' ' A' ' 0' ' ' ASP . 8.7 p-10 -96.72 113.69 25.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.892 -0.595 . . . . 20.0 109.922 177.274 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -131.45 -62.29 0.88 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.928 0.394 . . . . 20.0 110.593 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -83.76 58.27 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 20.0 111.126 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 0' ' ' ASP . . . . . 0.442 ' OD1' ' HB2' ' A' ' -3' ' ' ASP . 5.3 m-20 -90.28 1.34 56.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.272 0.558 . . . . 20.0 110.541 177.29 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -64.93 -16.64 63.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.408 -0.815 . . . . 20.0 110.883 177.136 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.426 ' OD1' ' HD2' ' A' ' 3' ' ' ARG . 44.6 t-20 69.16 -67.92 0.2 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.766 0.826 . . . . 20.0 110.842 -179.383 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.426 ' HD2' ' OD1' ' A' ' 2' ' ' ASN . 15.2 mmm180 -83.12 89.67 6.97 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.869 -0.419 . . . . 20.0 109.869 -177.379 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.79 74.54 8.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.562 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.6 mt -87.84 35.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.141 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -66.98 131.65 93.83 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.599 -0.728 . . . . 20.0 110.394 179.118 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -57.0 108.97 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.751 2.301 . . . . 20.0 112.202 -179.315 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.5 mtm -86.77 138.62 31.45 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.55 -0.537 . . . . 20.0 109.55 177.358 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 m -93.53 143.21 12.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.461 -0.336 . . . . 20.0 110.558 -178.224 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.4 p -97.26 113.41 25.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.255 -0.43 . . . . 20.0 110.124 176.967 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 68.97 -156.08 0.17 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.449 178.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -61.29 146.26 48.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.903 0.382 . . . . 20.0 111.5 -176.831 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -94.37 17.11 13.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.215 0.531 . . . . 20.0 110.888 179.332 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.8 p -83.37 7.31 17.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 20.0 111.252 -179.773 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.1 mt -57.54 -41.75 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 20.0 110.607 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.89 -42.18 88.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.656 -0.702 . . . . 20.0 110.444 177.327 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.25 -43.18 98.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.309 179.68 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.92 -41.48 97.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.945 -0.571 . . . . 20.0 110.468 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -65.82 -30.09 70.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 20.0 110.554 177.259 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 m -69.34 -41.25 76.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.099 -0.501 . . . . 20.0 109.936 176.914 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -61.82 -43.27 99.18 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.514 -0.312 . . . . 20.0 110.369 176.921 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.1 -35.58 77.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 20.0 110.421 177.127 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -68.11 -37.72 81.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.294 -179.064 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -71.4 -33.53 69.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 20.0 110.588 177.008 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.54 -41.12 96.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.339 0.59 . . . . 20.0 109.462 174.773 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -61.36 -41.38 96.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.167 -0.924 . . . . 20.0 110.427 176.083 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.08 79.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -69.0 -52.09 32.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.803 179.137 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 p -66.62 -24.04 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 20.0 111.476 -175.734 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.68 4.77 41.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.881 0.372 . . . . 20.0 111.589 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m 53.85 44.52 29.4 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.618 -0.719 . . . . 20.0 110.943 179.127 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 m -116.64 38.8 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 20.0 111.159 -175.67 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.73 144.12 33.93 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.3 -0.63 . . . . 20.0 109.3 175.776 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 55.39 56.96 5.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.421 0.629 . . . . 20.0 110.095 -175.39 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -62.52 135.87 95.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.258 -0.883 . . . . 20.0 111.45 -175.009 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.72 148.19 28.57 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.907 2.405 . . . . 20.0 112.27 -179.81 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 52.13 65.91 5.7 Favored Pre-proline 0 N--CA 1.464 0.225 0 CA-C-N 115.62 -0.718 . . . . 20.0 111.09 -179.28 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.38 -32.12 61.19 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.518 2.145 . . . . 20.0 112.189 -178.274 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . 49.07 70.81 0.43 Allowed 'General case' 0 C--O 1.238 0.467 0 O-C-N 123.825 0.703 . . . . 20.0 111.247 178.923 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.7 mt -94.83 109.61 44.89 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.252 -0.886 . . . . 20.0 110.1 -177.837 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.463 ' O ' HG23 ' A' ' 45' ' ' VAL . 22.4 Cg_exo -61.13 159.16 31.36 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.859 2.373 . . . . 20.0 112.436 178.828 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.523 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 14.5 t-80 -56.23 -43.74 78.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.387 0.137 . . . . 20.0 110.975 -176.228 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -62.31 -40.57 96.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.471 -0.332 . . . . 20.0 110.935 -179.205 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 59.2 mm-40 -62.9 -44.21 96.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.016 176.824 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 41' ' ' PRO . 88.9 t -57.08 -50.9 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.81 179.541 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 35.0 mt-10 -60.36 -46.37 90.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.334 -0.393 . . . . 20.0 111.469 -177.335 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -69.38 -44.68 71.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.228 -0.442 . . . . 20.0 111.24 -177.771 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 44' ' ' GLU . 2.7 mpt_? -74.64 -28.26 60.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.331 -0.395 . . . . 20.0 111.307 -176.492 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.436 ' HA ' ' HB2' ' A' ' 53' ' ' PHE . 45.3 ttm -65.44 -38.04 88.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.257 0.551 . . . . 20.0 110.213 177.355 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.73 -51.97 14.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.405 -0.816 . . . . 20.0 111.275 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.93 -66.08 0.96 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.044 0.387 . . . . 20.0 112.044 -174.178 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -64.6 -61.84 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.566 0.58 . . . . 20.0 112.566 -172.088 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 56' ' ' MET . 46.7 m-85 -60.27 -35.29 75.19 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.221 0.452 . . . . 20.0 112.221 -172.248 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.61 80.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.848 0.356 . . . . 20.0 111.001 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -76.74 -31.14 56.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.9 0.381 . . . . 20.0 110.351 179.574 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.462 ' HB3' ' HA ' ' A' ' 53' ' ' PHE . 21.8 ttt -60.88 -39.19 88.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 20.0 110.964 177.837 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -72.25 -43.79 63.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.396 . . . . 20.0 110.372 177.252 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 59' ' ' GLU . 87.3 tttt 61.49 97.69 0.03 OUTLIER 'General case' 0 C--O 1.236 0.385 0 O-C-N 123.635 0.585 . . . . 20.0 111.429 177.292 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' 58' ' ' LYS . 37.4 tt0 71.41 100.22 0.06 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.741 -0.663 . . . . 20.0 110.825 -179.233 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -83.94 45.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.96 -0.563 . . . . 20.0 110.937 -179.108 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -149.35 58.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.186 0.517 . . . . 20.0 110.542 179.579 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -89.88 102.29 14.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 20.0 109.588 174.772 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.513 -0.756 . . . . 20.0 109.682 -179.569 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 109.861 -0.422 . . . . 20.0 109.861 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -131.48 79.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.919 0.39 . . . . 20.0 111.086 178.925 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -151.27 155.63 39.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.187 175.459 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -149.17 -0.19 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.208 -0.451 . . . . 20.0 110.993 -178.057 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -127.05 122.91 35.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.583 -175.379 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -130.66 -68.1 0.7 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.513 -0.551 . . . . 20.0 109.513 171.672 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -177.29 -43.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.181 0.3 . . . . 20.0 111.799 173.336 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -67.93 -44.54 76.6 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.077 0.399 . . . . 20.0 112.077 -173.916 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -86.68 -1.99 58.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.45 -0.341 . . . . 20.0 111.149 -175.979 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -139.59 55.68 1.66 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.478 0.656 . . . . 20.0 110.75 -176.214 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -82.39 56.02 3.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.886 -0.597 . . . . 20.0 110.394 -179.774 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.23 -40.05 27.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.772 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 50.23 63.49 2.18 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.297 0.57 . . . . 20.0 110.296 -177.353 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m -136.63 86.55 22.45 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.588 -0.733 . . . . 20.0 110.136 -178.516 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -74.51 53.03 3.0 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.069 2.512 . . . . 20.0 112.603 -177.996 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.8 mtm -128.05 9.7 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.7 179.239 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 m -79.34 123.84 36.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.308 0.575 . . . . 20.0 110.621 -178.41 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.0 m -151.93 60.53 0.85 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.5 0.667 . . . . 20.0 109.957 179.663 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -110.85 166.64 10.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.146 -0.934 . . . . 20.0 110.095 -178.302 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.5 t80 68.21 115.81 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.956 0.785 . . . . 20.0 111.536 179.022 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.477 ' HG2' ' N ' ' A' ' 14' ' ' THR . 41.8 tt0 68.94 173.2 0.29 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.711 -0.677 . . . . 20.0 111.33 175.406 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.477 ' N ' ' HG2' ' A' ' 13' ' ' GLU . 40.0 p 56.69 58.05 4.37 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.966 0.906 . . . . 20.0 112.067 176.242 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.8 pt -135.68 161.33 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.447 -0.797 . . . . 20.0 111.058 177.711 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -54.59 38.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.189 -0.46 . . . . 20.0 112.126 -175.773 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.32 -27.49 68.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.937 0.347 . . . . 20.0 111.937 -174.005 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -74.11 -46.66 41.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.006 0.432 . . . . 20.0 109.849 178.499 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -68.14 -35.57 78.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.565 179.558 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.1 m -63.98 -34.51 78.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.673 178.55 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.07 -32.67 70.86 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.758 -0.46 . . . . 20.0 109.758 179.246 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -69.83 -32.45 70.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 20.0 109.924 177.464 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.51 -35.68 78.39 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.209 -0.451 . . . . 20.0 110.441 175.127 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.504 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 11.8 m95 -71.02 -35.4 72.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.072 -0.513 . . . . 20.0 110.334 176.466 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -40.35 85.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.342 0.591 . . . . 20.0 109.564 178.239 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -66.71 -27.47 67.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.688 177.779 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.5 0.05 44.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 20.0 111.388 -178.621 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 68.1 mttm -86.93 -11.95 49.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 20.0 110.957 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.96 -40.05 84.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.037 -0.529 . . . . 20.0 109.758 176.428 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.96 111.72 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.06 0.85 . . . . 20.0 112.339 176.994 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 p -76.67 61.4 1.82 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.816 177.107 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m -114.52 39.56 2.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 20.0 110.023 -179.713 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -99.43 -22.34 15.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.942 -0.572 . . . . 20.0 110.148 -178.869 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.7 73.45 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.883 -0.599 . . . . 20.0 110.861 -178.676 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -131.98 80.14 65.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.141 -0.481 . . . . 20.0 109.858 176.778 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.38 -12.07 12.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.524 2.149 . . . . 20.0 113.396 -175.569 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -130.3 90.22 42.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 20.0 111.084 -176.806 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.11 73.66 5.92 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.095 2.53 . . . . 20.0 111.386 175.501 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.27 -3.18 58.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.708 -0.678 . . . . 20.0 111.788 -176.475 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.0 mp -79.2 123.65 84.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.433 -0.58 . . . . 20.0 109.433 178.515 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.84 120.53 7.76 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.178 2.585 . . . . 20.0 112.662 -176.18 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -60.45 -33.23 72.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.264 -0.88 . . . . 20.0 111.644 -175.512 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.47 -35.24 77.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.982 0.42 . . . . 20.0 110.738 -178.949 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -79.21 -39.07 34.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.023 -0.535 . . . . 20.0 110.434 178.945 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.12 -51.61 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 20.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -60.42 -26.24 66.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.47 . . . . 20.0 111.235 179.919 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -80.57 -50.08 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.163 -0.471 . . . . 20.0 110.801 -179.122 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 75.9 ttt180 -75.11 -40.42 59.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 20.0 111.046 -176.162 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.5 ttm -62.91 -26.64 68.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 20.0 110.441 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.15 78.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.619 176.004 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -84.3 -27.08 28.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.741 -0.663 . . . . 20.0 109.567 179.519 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 31.1 mmm180 -76.43 -19.13 58.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.274 -0.875 . . . . 20.0 110.58 179.378 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -46.86 -46.53 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.445 0.698 . . . . 20.0 112.313 -174.798 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.71 -48.2 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.761 0.315 . . . . 20.0 111.377 -178.463 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -71.29 -26.13 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.302 0.573 . . . . 20.0 110.847 -177.738 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.3 ttt -68.25 -43.04 78.74 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.294 -0.866 . . . . 20.0 110.843 178.886 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -88.32 -58.85 2.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.989 -0.55 . . . . 20.0 111.043 -174.838 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 55.47 86.97 0.05 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.482 0.489 . . . . 20.0 111.369 -179.444 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.19 101.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.757 -0.656 . . . . 20.0 111.148 -179.319 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -99.84 -9.25 23.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.009 0.433 . . . . 20.0 110.975 -179.209 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.8 t -167.81 -73.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.82 -0.627 . . . . 20.0 109.804 178.773 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -105.74 -37.32 6.76 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.612 -0.884 . . . . 20.0 108.612 174.42 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 114.383 -1.28 . . . . 20.0 107.629 176.369 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 20.2 mmt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.931 0.396 . . . . 20.0 110.017 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -76.94 -74.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.581 -0.526 . . . . 20.0 109.581 176.549 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -75.79 154.05 36.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.565 -0.902 . . . . 20.0 108.565 172.564 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -132.99 155.49 49.06 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.972 0.415 . . . . 20.0 111.431 -170.225 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.04 178.71 4.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.568 -0.742 . . . . 20.0 109.263 176.457 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -60.91 -54.79 40.76 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.197 -0.668 . . . . 20.0 109.197 174.625 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -116.28 101.25 8.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.13 -0.941 . . . . 20.0 109.191 172.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -69.57 -27.53 65.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.115 -0.493 . . . . 20.0 110.994 -176.798 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -92.85 -12.59 30.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.163 178.376 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 69.55 -55.62 0.58 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.736 0.814 . . . . 20.0 112.326 177.496 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.5 151.66 21.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.463 -0.335 . . . . 20.0 111.074 -174.432 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.03 167.34 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 20.0 109.977 177.746 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.8 mt -125.42 113.77 17.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.667 0.27 . . . . 20.0 110.919 -177.59 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -77.73 134.48 65.1 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.118 176.838 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -78.0 134.86 13.48 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.504 2.136 . . . . 20.0 112.49 179.692 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ttt 57.89 64.75 1.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.391 178.615 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.3 m -134.95 131.44 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.456 176.158 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.8 m 63.24 43.59 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.467 0.651 . . . . 20.0 110.746 178.742 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.08 -169.82 1.58 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.491 -0.777 . . . . 20.0 108.951 177.161 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -56.93 -44.22 82.26 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.725 -0.39 . . . . 20.0 110.257 177.326 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 42.11 55.33 3.91 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.949 0.781 . . . . 20.0 112.379 172.889 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -97.12 34.86 1.67 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.32 0.581 . . . . 20.0 110.21 178.608 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.2 mt -128.01 28.15 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.621 -0.718 . . . . 20.0 109.072 -176.778 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.17 -58.91 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.38 -0.827 . . . . 20.0 111.486 -173.537 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.48 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -68.94 -39.08 79.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.296 -0.411 . . . . 20.0 110.884 -176.542 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.52 -40.36 73.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.545 -0.298 . . . . 20.0 111.124 -175.799 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -70.61 -27.98 64.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.329 -0.248 . . . . 20.0 110.329 179.738 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.7 m -64.85 -39.48 93.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.977 0.417 . . . . 20.0 110.603 178.075 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.48 ' HD1' ' O ' ' A' ' 17' ' ' GLN . 62.0 m-85 -78.65 -24.4 45.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.464 176.955 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -72.77 -48.07 41.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.094 -0.503 . . . . 20.0 110.425 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 24' ' ' TRP . 9.3 pt-20 -61.62 -41.12 97.03 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.076 0.465 . . . . 20.0 110.339 177.434 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.431 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 67.9 t-105 -65.33 -37.58 87.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.692 -0.685 . . . . 20.0 110.665 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 29' ' ' VAL . 34.0 tp -66.52 -40.7 89.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.365 -0.379 . . . . 20.0 110.168 179.13 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -59.52 -42.75 92.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.599 177.244 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' THR . . . -63.07 -34.59 77.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.929 179.268 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -78.03 -51.63 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 20.0 111.344 -178.867 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 25' ' ' LEU . 9.2 p -77.73 -33.33 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.06 0.393 . . . . 20.0 112.06 -171.884 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.421 ' C ' ' HG1' ' A' ' 31' ' ' THR . . . -99.77 -22.13 15.49 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.997 -0.281 . . . . 20.0 111.525 -176.553 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.421 ' HG1' ' C ' ' A' ' 30' ' ' ALA . 68.4 p 58.04 -75.46 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.339 1.055 . . . . 20.0 112.438 -177.612 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.1 t -90.21 115.7 27.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.143 -0.317 . . . . 20.0 110.143 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 33' ' ' LEU . 6.3 tt -75.24 -30.68 60.58 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.896 -0.779 . . . . 20.0 108.896 176.275 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.49 158.08 31.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.604 -0.725 . . . . 20.0 109.517 173.578 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -67.0 114.0 16.01 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.789 0.328 . . . . 20.0 110.822 -177.971 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -76.1 113.51 3.72 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.325 2.016 . . . . 20.0 111.994 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 ptm85 -119.88 131.88 24.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.252 -0.431 . . . . 20.0 110.532 179.67 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.77 79.49 2.25 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.724 2.283 . . . . 20.0 112.033 178.844 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.04 138.74 38.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.515 -0.766 . . . . 20.0 110.992 -179.489 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 40' ' ' ILE . 3.4 mp -76.01 122.9 87.82 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 20.0 109.579 178.308 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.49 118.58 2.63 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.334 2.689 . . . . 20.0 112.704 -178.547 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -69.34 -25.5 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 20.0 110.752 -177.263 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.05 -28.21 62.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.402 -179.72 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 34.3 tt0 -77.99 -36.71 48.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.005 -0.543 . . . . 20.0 110.364 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.7 t -75.43 -48.22 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 20.0 110.717 179.255 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -59.72 -34.92 73.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 20.0 111.762 -174.809 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 19.7 ptp180 -66.45 -33.96 76.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.794 0.33 . . . . 20.0 110.613 -179.077 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -85.95 -32.52 21.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.241 0.543 . . . . 20.0 110.09 178.942 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.7 tpp -66.58 -30.45 70.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.378 -0.828 . . . . 20.0 110.513 -179.272 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.25 78.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.778 -0.646 . . . . 20.0 111.323 177.794 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.41 -35.24 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.371 179.698 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -60.09 -45.66 92.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.852 -0.613 . . . . 20.0 110.406 178.317 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.27 -40.57 96.68 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.854 -0.612 . . . . 20.0 110.43 178.574 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.69 90.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.096 -0.502 . . . . 20.0 111.263 -178.729 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 10.9 mmpt? -71.14 -33.75 70.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.59 -178.053 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 ptm -84.74 -15.53 44.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.04 0.448 . . . . 20.0 110.579 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -88.02 -56.85 3.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.554 . . . . 20.0 110.624 179.841 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -142.89 96.26 2.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.211 -0.449 . . . . 20.0 110.447 -178.7 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.67 116.79 29.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.388 -0.369 . . . . 20.0 110.935 -179.778 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 59.4 -163.53 0.23 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.894 -0.594 . . . . 20.0 110.679 -177.402 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t 71.04 105.69 0.06 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.504 0.503 . . . . 20.0 111.587 175.822 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.89 88.74 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.761 -0.459 . . . . 20.0 109.761 175.281 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.581 -0.723 . . . . 20.0 110.287 -178.424 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 66.7 mtm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.071 -0.344 . . . . 20.0 110.071 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 69.19 -63.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.131 0.895 . . . . 20.0 111.435 -178.379 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -124.79 164.92 18.95 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.836 -0.431 . . . . 20.0 109.836 179.614 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -84.82 45.58 1.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.441 0.638 . . . . 20.0 110.139 177.09 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -140.71 37.27 1.82 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.042 -0.981 . . . . 20.0 108.481 179.048 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -80.15 -45.32 18.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.836 -1.075 . . . . 20.0 109.048 -179.06 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -119.39 148.9 42.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.869 -1.06 . . . . 20.0 109.656 177.418 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -86.31 1.52 50.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 20.0 110.988 -177.711 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -86.63 -11.18 52.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.904 -0.589 . . . . 20.0 110.403 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 64.7 30.05 12.62 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.396 -0.82 . . . . 20.0 110.571 -179.521 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -121.26 72.78 1.0 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.365 0.602 . . . . 20.0 110.043 -177.37 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.87 31.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.466 -0.788 . . . . 20.0 110.306 178.166 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.1 mt -94.31 56.3 2.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.393 -176.799 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -134.2 75.46 65.35 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.956 -0.565 . . . . 20.0 110.104 178.394 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -87.1 26.57 0.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.547 2.165 . . . . 20.0 112.572 -178.034 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.9 ttp 57.39 78.55 0.23 Allowed 'General case' 0 C--O 1.227 -0.092 0 CA-C-N 115.584 -0.735 . . . . 20.0 110.358 -176.811 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.6 m -87.32 34.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.243 -0.435 . . . . 20.0 111.838 -174.615 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.9 m 56.08 52.15 10.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.81 -0.632 . . . . 20.0 110.84 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 67.69 105.72 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.659 -0.701 . . . . 20.0 110.855 -179.174 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.436 ' C ' ' H ' ' A' ' 14' ' ' THR . 25.9 p90 -72.43 -39.64 67.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.27 -0.423 . . . . 20.0 109.96 176.941 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 67.2 -17.23 0.14 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.992 0.917 . . . . 20.0 113.39 173.124 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.436 ' H ' ' C ' ' A' ' 12' ' ' PHE . 5.9 p -66.44 136.93 56.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.863 -0.421 . . . . 20.0 109.863 175.406 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.753 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 47.2 mm -79.29 127.19 39.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.348 -0.612 . . . . 20.0 109.348 -178.252 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -54.13 -27.18 31.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.076 -0.511 . . . . 20.0 112.324 -175.745 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.546 ' H ' HG22 ' A' ' 15' ' ' ILE . 29.3 mm-40 -77.34 -15.88 59.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.463 0.542 . . . . 20.0 112.463 -179.679 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.753 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 10.3 pt-20 -84.81 0.62 50.17 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.744 -0.383 . . . . 20.0 110.59 -178.335 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.45 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 5.5 p30 -61.21 -32.27 72.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 20.0 110.224 -178.963 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 p -72.82 -27.38 61.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.876 -0.602 . . . . 20.0 111.289 -177.326 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.47 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 77.5 t80 -62.36 -43.29 99.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.604 -178.451 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -69.56 -31.76 70.14 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.417 -0.586 . . . . 20.0 109.417 178.83 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 19' ' ' ASN . 31.6 mm-40 -63.5 -42.9 98.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.815 -0.63 . . . . 20.0 110.496 177.47 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.47 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 17.4 m0 -66.25 -35.55 80.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.681 179.113 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.63 -38.66 80.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 20.0 110.355 178.129 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -62.8 -27.63 69.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.794 179.241 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.31 -30.62 17.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 20.0 111.244 179.126 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -67.11 -26.15 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.88 -0.6 . . . . 20.0 111.342 -176.146 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.93 -16.44 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.304 0.573 . . . . 20.0 110.683 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.79 67.93 1.27 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.962 -0.563 . . . . 20.0 109.959 176.022 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m -80.53 137.14 36.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.62 -0.718 . . . . 20.0 110.663 -178.745 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 p -94.54 145.22 24.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.703 -0.226 . . . . 20.0 110.763 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.6 mt 63.06 26.97 15.66 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.47 0.481 . . . . 20.0 111.233 179.669 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.52 139.17 7.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.59 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 19.3 m-20 -80.91 117.27 67.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 109.567 -0.531 . . . . 20.0 109.567 175.053 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 8.6 Cg_exo -72.85 72.43 3.2 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.805 2.337 . . . . 20.0 111.862 178.643 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 53.61 80.97 0.27 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.293 -0.867 . . . . 20.0 110.535 -177.13 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.19 108.08 1.68 Allowed 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.577 2.185 . . . . 20.0 112.18 -177.072 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.64 111.17 15.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.861 -0.608 . . . . 20.0 110.355 179.283 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.0 pt -109.07 120.91 44.42 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.109 -0.496 . . . . 20.0 110.431 179.359 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.95 119.4 6.17 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.446 2.097 . . . . 20.0 112.693 -176.787 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -80.23 -2.74 46.28 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.741 -0.466 . . . . 20.0 109.741 177.807 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -60.94 -24.04 65.75 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.744 -0.662 . . . . 20.0 110.914 177.342 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.77 -44.04 85.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 20.0 110.81 178.312 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.2 t -68.5 -44.99 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 20.0 110.529 -179.428 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.45 -41.72 98.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.726 -0.67 . . . . 20.0 110.394 -178.522 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -64.44 -35.8 82.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.223 0.535 . . . . 20.0 110.451 178.377 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -72.37 -39.26 68.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.482 -0.781 . . . . 20.0 110.743 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 42.3 tpp -76.74 -40.93 46.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.839 -177.438 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.44 62.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 20.0 111.72 -177.402 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -54.41 -35.29 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.127 -0.488 . . . . 20.0 111.501 -178.36 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -84.98 -26.94 26.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.865 0.364 . . . . 20.0 111.267 -177.703 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -85.43 -42.83 14.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.475 -0.33 . . . . 20.0 111.251 -176.859 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.99 79.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.02 -0.536 . . . . 20.0 111.652 -175.137 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.73 -33.77 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.407 -0.36 . . . . 20.0 111.273 -178.203 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 58.8 ttp -70.29 -35.19 73.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 20.0 110.371 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -84.87 -4.71 59.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.555 . . . . 20.0 110.822 179.405 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -74.91 -44.08 50.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.747 -0.464 . . . . 20.0 109.747 179.194 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -78.68 116.75 19.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 20.0 109.98 174.975 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.512 ' HA ' ' NE ' ' A' ' 60' ' ' ARG . 4.3 mmp_? -104.39 50.9 0.78 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.108 0.48 . . . . 20.0 109.872 177.334 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.8 t -65.71 130.31 42.83 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.63 -176.677 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.8 tttp 59.71 42.02 17.56 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.431 0.634 . . . . 20.0 110.47 176.527 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.724 -0.655 . . . . 20.0 110.327 -178.421 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.0 0.429 . . . . 20.0 110.348 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.76 -61.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.954 -0.566 . . . . 20.0 110.504 178.982 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -128.19 160.39 32.22 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.298 -0.41 . . . . 20.0 110.372 178.225 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 170.15 22.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.072 -0.714 . . . . 20.0 109.072 174.54 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -79.53 90.05 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.929 0.395 . . . . 20.0 111.59 -176.036 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -90.89 -40.45 11.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.92 -0.582 . . . . 20.0 110.308 176.055 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.49 -37.53 87.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.467 -0.788 . . . . 20.0 111.066 -177.386 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.28 -12.58 61.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 20.0 111.445 -178.286 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -75.37 -11.09 59.98 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.056 0.455 . . . . 20.0 110.533 178.559 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -118.6 147.8 43.36 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.792 -0.818 . . . . 20.0 108.792 177.163 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -83.5 61.45 6.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.474 0.654 . . . . 20.0 110.465 178.137 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.58 152.55 41.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.328 -0.851 . . . . 20.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.22 104.72 0.41 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.997 0.427 . . . . 20.0 110.064 178.769 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 8' ' ' MET . 9.3 m -120.14 137.01 25.45 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.767 -0.652 . . . . 20.0 110.108 -176.997 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.96 22.07 0.26 Allowed 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.874 2.382 . . . . 20.0 113.016 -177.993 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.42 ' H ' ' C ' ' A' ' 6' ' ' SER . 1.8 tmt? -68.91 -36.44 78.02 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.644 -0.502 . . . . 20.0 109.644 178.341 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.4 m -76.03 132.87 32.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.043 -0.526 . . . . 20.0 110.058 175.784 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 m -99.96 37.83 1.57 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.467 -0.333 . . . . 20.0 111.21 -175.55 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 68.85 161.49 0.2 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.788 -0.642 . . . . 20.0 111.342 -179.732 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -117.43 147.66 42.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.379 -178.194 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.41 144.72 32.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.323 178.357 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -90.16 120.87 31.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.29 -0.414 . . . . 20.0 110.091 175.96 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.616 HG22 ' H ' ' A' ' 18' ' ' GLU . 3.9 mp -92.13 105.66 16.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.553 -0.536 . . . . 20.0 109.553 177.433 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -63.91 -34.54 78.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 20.0 111.351 -174.861 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -74.93 -34.82 62.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.423 -178.208 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.616 ' H ' HG22 ' A' ' 15' ' ' ILE . 40.6 tt0 -79.33 -28.09 42.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.203 0.525 . . . . 20.0 109.697 -178.844 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -70.4 -17.27 63.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 20.0 110.686 174.531 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -69.64 -25.7 64.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.223 0.535 . . . . 20.0 109.606 176.024 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.478 ' HA ' ' HB3' ' A' ' 24' ' ' TRP . 54.2 m-85 -72.42 -18.24 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.4 177.504 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.4 t30 -70.78 -39.88 72.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.229 -0.656 . . . . 20.0 109.229 176.064 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -36.51 65.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.064 175.366 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.478 ' HB3' ' HA ' ' A' ' 21' ' ' TYR . 67.0 t-105 -59.91 -28.86 67.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.758 -0.655 . . . . 20.0 110.713 175.984 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 25' ' ' LEU . 3.0 tm? -58.93 -38.59 79.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.795 -0.446 . . . . 20.0 109.795 177.141 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -77.97 -21.19 51.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.822 -178.527 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.98 -36.07 16.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.209 -0.451 . . . . 20.0 111.131 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.41 -37.66 84.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.823 -0.626 . . . . 20.0 111.026 -177.358 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.68 -23.6 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.085 0.469 . . . . 20.0 110.908 179.751 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.88 -31.02 20.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 20.0 110.399 179.26 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 m -74.04 -44.13 55.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.174 177.419 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.8 m -83.35 60.55 5.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.177 0.513 . . . . 20.0 110.084 177.601 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.6 tp -87.92 -26.8 22.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.849 -0.614 . . . . 20.0 111.197 -175.907 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.11 58.22 1.83 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 20.0 110.45 179.1 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -111.17 144.98 31.54 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.879 -0.601 . . . . 20.0 110.531 -178.164 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -96.13 31.9 0.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.238 2.625 . . . . 20.0 111.719 173.256 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 61.89 81.75 0.23 Allowed Pre-proline 0 C--O 1.233 0.216 0 CA-C-N 115.509 -0.768 . . . . 20.0 110.729 -174.116 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.3 -28.65 47.11 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.754 2.303 . . . . 20.0 111.321 179.055 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.93 81.35 8.56 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.59 -0.732 . . . . 20.0 110.254 178.057 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.0 114.5 46.99 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.535 -0.757 . . . . 20.0 109.549 177.788 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -58.83 117.24 3.93 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.045 1.83 . . . . 20.0 111.849 -179.258 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -91.94 -0.13 57.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.117 0.484 . . . . 20.0 109.908 177.451 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.59 -35.79 75.0 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.61 -0.723 . . . . 20.0 110.272 176.404 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -56.96 -40.92 77.37 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.537 0.684 . . . . 20.0 110.065 177.288 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.7 t -71.79 -56.28 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.057 -0.974 . . . . 20.0 110.604 -178.934 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.76 -35.25 68.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.919 -0.582 . . . . 20.0 111.441 -177.944 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 14.1 ttm180 -63.08 -51.27 67.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 20.0 111.401 -178.57 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -77.47 -36.46 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.154 -175.418 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -39.16 89.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.586 -0.279 . . . . 20.0 110.551 176.323 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.26 -37.5 80.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 20.0 110.935 177.442 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 43.2 mt-10 -65.06 -35.44 81.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.107 178.763 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -72.71 -44.97 61.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.577 -0.738 . . . . 20.0 110.802 178.989 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -63.85 -39.51 94.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.495 -0.321 . . . . 20.0 110.75 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.4 -24.0 67.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.967 0.413 . . . . 20.0 111.06 178.911 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -90.22 -52.76 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.937 -0.574 . . . . 20.0 111.151 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 59.9 ttp -79.6 -46.33 17.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.451 -0.341 . . . . 20.0 111.633 -173.537 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -72.26 -45.24 60.99 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.927 -0.768 . . . . 20.0 108.927 179.239 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? 55.24 71.55 0.53 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.323 -0.853 . . . . 20.0 111.221 174.804 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -88.0 -37.65 16.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.518 0.675 . . . . 20.0 109.916 176.782 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.45 ' HB3' ' HB2' ' A' ' 63' ' ' GLN . 85.1 mtm180 -131.89 89.98 2.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.047 -0.979 . . . . 20.0 110.798 -170.552 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 p -73.59 -46.71 45.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.341 -0.39 . . . . 20.0 110.693 177.469 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -134.08 32.92 3.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.451 . . . . 20.0 110.512 178.131 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.45 ' HB2' ' HB3' ' A' ' 60' ' ' ARG . 66.9 mt-30 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.579 -0.724 . . . . 20.0 110.014 -179.098 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.366 0.127 . . . . 20.0 111.0 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 179.58 152.43 0.42 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.561 -0.29 . . . . 20.0 111.351 179.869 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 50.92 -92.48 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.387 1.255 . . . . 20.0 114.387 169.365 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.508 ' H ' ' HD3' ' A' ' -4' ' ' LYS . 0.7 OUTLIER -123.47 2.49 9.03 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.94 -0.304 . . . . 20.0 111.208 -173.373 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -70.9 -28.1 64.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.117 0.484 . . . . 20.0 110.781 -179.572 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.02 14.61 21.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.152 0.501 . . . . 20.0 110.639 -178.098 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -101.45 64.98 1.02 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.787 -0.82 . . . . 20.0 108.787 175.029 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 0' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 4.9 p-10 -69.96 -27.64 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.512 -0.767 . . . . 20.0 110.605 -178.091 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -69.08 -3.6 13.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.781 -0.645 . . . . 20.0 111.26 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -62.17 -45.67 92.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.264 -0.426 . . . . 20.0 110.71 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -150.93 52.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 20.0 110.642 -177.092 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 0' ' ' ASP . . . -96.39 67.9 2.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.926 -0.579 . . . . 20.0 111.584 -177.313 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt 55.22 55.1 7.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.17 -0.468 . . . . 20.0 111.376 177.296 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m 65.25 98.6 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 115.634 -0.712 . . . . 20.0 111.416 178.075 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.02 141.45 56.99 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.914 2.409 . . . . 20.0 111.961 179.795 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 59.81 87.76 0.08 Allowed 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.541 0.525 . . . . 20.0 109.955 -173.056 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' A' ' 17' ' ' GLN . 59.1 t -52.01 122.51 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.69 . . . . 20.0 111.047 -175.695 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -88.63 79.69 7.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.716 -0.674 . . . . 20.0 110.787 -175.524 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -87.35 167.37 14.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.638 -0.875 . . . . 20.0 108.638 172.967 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -50.44 -52.42 38.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.631 0.604 . . . . 20.0 112.631 -172.205 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -145.55 -72.85 0.24 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.855 0.36 . . . . 20.0 110.381 -179.082 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 t -78.4 129.99 35.59 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.391 -0.596 . . . . 20.0 109.391 177.184 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG22 ' H ' ' A' ' 18' ' ' GLU . 28.3 mm -93.47 97.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.22 0.533 . . . . 20.0 109.563 -176.317 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -73.23 -29.43 62.78 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.936 -0.575 . . . . 20.0 110.205 -175.328 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HG2' HG21 ' A' ' 9' ' ' VAL . 51.5 tp60 -65.44 -28.98 69.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.947 -0.57 . . . . 20.0 109.926 175.69 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' H ' HG22 ' A' ' 15' ' ' ILE . 39.6 tt0 -66.29 -41.16 90.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.208 179.24 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -75.85 -40.52 54.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.499 179.546 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -70.24 -12.46 61.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.023 0.439 . . . . 20.0 111.172 179.243 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -77.13 -18.3 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.007 0.432 . . . . 20.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -62.48 -37.47 86.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.593 178.983 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -60.07 -37.71 80.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.726 176.597 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -66.64 -44.18 82.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.956 -0.566 . . . . 20.0 109.851 178.327 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 29' ' ' VAL . 96.4 mt -61.41 -47.33 86.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.513 177.415 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -55.27 -42.46 73.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 20.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.22 86.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.93 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -74.98 -35.06 62.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.68 -178.666 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 25' ' ' LEU . 84.2 t -66.53 -31.88 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.22 0.533 . . . . 20.0 110.288 176.988 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.53 -4.34 26.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 20.0 111.089 178.645 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.1 m 76.39 128.36 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.431 -0.804 . . . . 20.0 111.609 177.158 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.7 m -74.33 142.49 45.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.964 -0.562 . . . . 20.0 109.83 176.384 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -57.9 100.23 0.05 Allowed 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.44 0.462 . . . . 20.0 111.209 -178.3 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.29 147.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.473 -0.785 . . . . 20.0 109.875 -179.846 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -126.2 88.85 53.53 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 109.546 -0.538 . . . . 20.0 109.546 177.141 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.11 85.5 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.862 2.374 . . . . 20.0 111.976 -177.76 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -116.72 124.39 29.39 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.573 -176.031 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -75.65 78.3 3.11 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.33 2.02 . . . . 20.0 111.711 177.032 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 69.27 152.72 0.1 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.372 -0.831 . . . . 20.0 111.201 -177.787 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 pt -90.39 123.8 64.55 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.834 178.757 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.421 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 89.9 Cg_endo -83.47 147.8 12.62 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.773 2.316 . . . . 20.0 111.436 175.451 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 23.1 m170 -67.48 -16.84 64.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.131 -178.957 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -70.67 -38.7 73.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.996 -0.547 . . . . 20.0 110.88 -178.186 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 41' ' ' PRO . 0.4 OUTLIER -76.14 -23.49 54.82 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.557 -0.457 . . . . 20.0 110.153 -177.79 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.58 -45.91 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.211 -0.663 . . . . 20.0 109.211 174.006 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 38.4 mt-10 -60.04 -42.35 94.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.308 -0.86 . . . . 20.0 110.244 176.283 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -64.56 -40.8 96.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.03 -0.532 . . . . 20.0 111.563 -179.07 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -68.54 -42.69 78.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.741 -0.209 . . . . 20.0 111.466 -178.794 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 17.0 ptp -71.54 -32.99 68.77 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.492 -0.483 . . . . 20.0 110.64 178.662 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.26 -51.05 71.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.707 0.289 . . . . 20.0 111.362 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.16 -19.76 64.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.83 -178.79 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -75.97 -41.62 50.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.259 -0.428 . . . . 20.0 109.911 176.356 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -70.54 -29.39 65.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.208 0.528 . . . . 20.0 110.222 177.052 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.09 -21.53 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.441 -0.799 . . . . 20.0 111.601 -178.107 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -66.93 -23.27 65.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.852 179.241 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 56.4 ttm -83.82 -14.12 52.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.15 0.5 . . . . 20.0 110.187 178.457 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 77.9 ttt180 -110.18 5.2 21.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 20.0 110.086 179.294 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -72.75 -19.73 61.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 20.0 110.87 -176.548 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 61.49 71.67 0.54 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.745 -0.661 . . . . 20.0 110.752 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -69.63 -54.59 13.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.307 -0.861 . . . . 20.0 110.787 -178.664 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 p -166.97 -49.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.132 -0.485 . . . . 20.0 110.079 179.641 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.563 ' HE3' ' HA ' ' A' ' 62' ' ' LYS . 1.3 tpmt? -158.42 78.67 0.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.275 0.56 . . . . 20.0 109.648 174.968 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.48 -0.782 . . . . 20.0 109.744 179.625 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.613 -0.514 . . . . 20.0 109.613 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -91.55 150.14 21.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.939 0.4 . . . . 20.0 110.346 -178.403 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -95.79 143.18 27.24 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.677 -0.49 . . . . 20.0 109.677 -178.564 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 63.17 23.11 13.73 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.622 0.576 . . . . 20.0 110.71 -174.222 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -160.32 51.74 0.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.603 0.716 . . . . 20.0 109.751 -179.313 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.5 -47.55 63.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.617 -0.72 . . . . 20.0 109.798 179.584 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 1.3 t70 64.17 21.22 12.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.234 -1.348 . . . . 20.0 110.988 175.725 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -71.92 -21.14 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 20.0 110.222 -179.253 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -65.55 -34.16 77.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.684 -0.689 . . . . 20.0 110.655 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 50.17 62.78 2.49 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.031 0.443 . . . . 20.0 110.728 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HB2' ' SD ' ' A' ' 56' ' ' MET . 0.1 OUTLIER -79.11 13.49 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 20.0 111.946 -173.018 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -30.31 70.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.059 0.457 . . . . 20.0 110.659 178.324 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.405 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.0 mm? -85.26 56.48 3.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 20.0 109.76 178.708 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.401 ' HB2' ' HB ' ' A' ' 9' ' ' VAL . 38.1 m -68.19 118.97 64.2 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.743 . . . . 20.0 110.933 -178.945 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -73.29 118.31 5.46 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.422 2.081 . . . . 20.0 111.625 178.04 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 58.37 67.02 0.99 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.292 0.568 . . . . 20.0 110.375 -177.702 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 6' ' ' SER . 8.9 p -94.47 134.14 32.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.662 -0.699 . . . . 20.0 110.715 -178.403 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.5 t -127.6 137.43 52.57 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.647 -0.706 . . . . 20.0 109.276 178.191 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -83.37 147.16 28.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.041 0.448 . . . . 20.0 109.915 179.68 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -84.16 6.65 21.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.404 0.621 . . . . 20.0 110.278 178.613 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -68.82 -32.66 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.128 -0.942 . . . . 20.0 110.142 173.694 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.9 p -87.74 24.37 1.75 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.932 -0.576 . . . . 20.0 111.104 -178.117 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.2 tt -66.03 -14.02 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.688 -0.687 . . . . 20.0 109.87 177.685 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 19' ' ' ASN . 74.5 mm-40 -62.6 -22.88 66.72 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.664 -0.698 . . . . 20.0 110.954 178.308 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 17' ' ' GLN . 17.7 mm-40 -64.7 -33.85 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.082 0.467 . . . . 20.0 110.125 176.212 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -89.57 -31.45 17.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.749 -0.66 . . . . 20.0 109.668 178.148 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.465 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . 65.8 t30 -66.55 -20.29 65.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.48 -0.782 . . . . 20.0 110.221 178.001 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.3 m -60.28 -28.57 68.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 20.0 110.681 176.033 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -73.88 -33.7 64.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 20.0 110.216 177.567 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.99 -41.71 90.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.457 -178.975 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.86 -30.26 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.509 . . . . 20.0 110.435 179.274 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -69.01 -43.09 75.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.57 -0.741 . . . . 20.0 110.243 175.896 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.8 tp -74.38 -31.54 62.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.944 -0.571 . . . . 20.0 110.749 -178.34 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.579 ' HD3' ' O ' ' A' ' 32' ' ' SER . 17.9 ttm-85 -51.74 -53.79 35.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.625 -0.716 . . . . 20.0 111.628 -178.531 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -9.87 59.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.058 -0.519 . . . . 20.0 111.65 -175.169 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -90.29 -45.65 8.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.153 -0.476 . . . . 20.0 110.972 -178.791 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -81.68 -26.17 9.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.705 -175.596 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -165.34 -164.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.738 -0.21 . . . . 20.0 110.821 -177.199 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.6 m -86.35 -69.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.796 -0.446 . . . . 20.0 109.796 173.124 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.579 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 44.3 m 47.91 55.73 8.19 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.824 -0.625 . . . . 20.0 111.536 179.305 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.72 -33.93 74.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.708 -178.353 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.04 159.47 23.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.809 -0.632 . . . . 20.0 109.564 177.096 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -110.46 97.05 30.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.65 0.262 . . . . 20.0 111.103 178.723 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.4 -3.07 13.27 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.546 2.164 . . . . 20.0 111.011 173.576 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 37' ' ' ARG . 42.5 ttp180 -132.25 135.81 27.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 114.788 -1.096 . . . . 20.0 108.919 -179.689 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 37' ' ' ARG . 37.9 Cg_exo -59.42 109.12 0.51 Allowed 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.58 2.187 . . . . 20.0 112.078 178.415 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.81 137.1 56.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.177 -0.465 . . . . 20.0 110.24 179.469 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.5 mt 67.44 96.47 0.05 OUTLIER Pre-proline 0 C--O 1.233 0.217 0 O-C-N 123.667 0.604 . . . . 20.0 110.083 -173.928 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.78 150.17 64.21 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.295 2.664 . . . . 20.0 112.958 -176.966 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.584 ' O ' HG12 ' A' ' 45' ' ' VAL . 42.1 t-80 -73.93 -11.77 60.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.736 -0.665 . . . . 20.0 110.784 -176.759 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -80.6 -8.77 59.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.877 0.37 . . . . 20.0 110.839 177.178 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.65 -29.03 56.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.406 -0.361 . . . . 20.0 110.854 -178.416 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 42' ' ' HIS . 14.0 p -68.9 -25.93 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.923 0.392 . . . . 20.0 109.983 176.871 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.83 -48.69 68.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.077 0.465 . . . . 20.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -72.76 -34.95 67.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.696 -179.218 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -74.76 -34.83 62.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.877 -177.667 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 46.3 ttm -63.82 -32.79 74.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 20.0 110.508 -179.559 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -33.46 75.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.232 0.539 . . . . 20.0 110.644 178.192 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 41.6 mt-10 -72.56 -29.63 63.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.594 -0.73 . . . . 20.0 110.282 178.264 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -63.59 -41.37 98.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 20.0 109.845 177.276 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -69.26 -32.71 72.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.724 -0.671 . . . . 20.0 110.703 176.796 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.7 -14.52 61.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 20.0 111.205 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 68.6 mttm -68.0 -25.48 65.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.992 0.425 . . . . 20.0 110.283 175.384 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.503 ' SD ' ' HB2' ' A' ' 3' ' ' ARG . 31.6 mmt -77.91 -1.03 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.651 -178.971 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -79.73 -23.5 42.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.267 179.001 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -111.53 158.33 19.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.097 0.475 . . . . 20.0 111.58 -174.242 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.94 155.08 30.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.483 -0.932 . . . . 20.0 108.483 177.42 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -75.74 1.32 15.07 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.878 0.325 . . . . 20.0 111.878 -174.096 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.3 m -85.49 7.91 21.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.71 0.29 . . . . 20.0 110.746 177.075 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp 63.08 26.67 15.5 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.83 -0.623 . . . . 20.0 111.344 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.403 -0.808 . . . . 20.0 109.966 -178.508 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 49.9 tpp . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 121.198 0.523 . . . . 20.0 109.83 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -107.17 -6.53 17.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.974 -177.402 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 59.59 -162.68 0.24 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.467 -0.788 . . . . 20.0 111.606 178.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 57.5 tptt 59.35 68.57 0.79 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.752 0.787 . . . . 20.0 109.91 -178.468 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -157.56 3.83 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.203 -0.908 . . . . 20.0 110.747 -178.878 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -92.17 -44.76 8.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.248 -178.921 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.83 -17.95 63.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.756 0.313 . . . . 20.0 110.331 179.342 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -74.08 -21.03 60.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 20.0 110.924 176.431 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -71.26 -18.21 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.064 0.459 . . . . 20.0 109.918 177.516 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -113.69 60.78 0.66 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.738 . . . . 20.0 109.507 -179.661 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -61.13 117.1 5.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 20.0 110.514 -177.704 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.57 26.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.881 -0.6 . . . . 20.0 110.389 -179.182 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 mp -92.87 -11.72 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.122 -0.49 . . . . 20.0 110.329 -179.358 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 m -114.6 137.99 22.97 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.576 -178.465 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.1 59.85 6.69 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.478 2.119 . . . . 20.0 111.345 176.876 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.1 ptm -76.74 4.36 9.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.652 -0.703 . . . . 20.0 111.738 -173.303 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 p -112.27 0.67 9.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.593 0.711 . . . . 20.0 109.767 174.251 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.2 m -151.95 50.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.555 -0.748 . . . . 20.0 110.166 -178.51 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.46 93.4 7.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.966 -0.561 . . . . 20.0 109.966 -179.354 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -126.49 45.82 2.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.266 0.555 . . . . 20.0 110.115 -179.241 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -74.14 -30.51 62.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.538 -0.755 . . . . 20.0 110.443 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.8 p -81.03 77.58 7.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.39 0.614 . . . . 20.0 110.574 -179.897 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.8 mm -77.43 85.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 20.0 110.385 -178.891 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -90.89 -29.57 17.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.802 -0.635 . . . . 20.0 112.204 -177.689 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.36 -19.88 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.969 0.414 . . . . 20.0 111.26 -179.022 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.72 -24.76 33.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.588 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.48 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 9.6 m120 -61.57 -24.66 66.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.404 -0.362 . . . . 20.0 111.693 -171.982 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.5 p -72.21 -47.29 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.147 0.499 . . . . 20.0 110.844 178.838 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -80.57 -34.82 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.843 -0.617 . . . . 20.0 110.734 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -56.88 -37.73 71.77 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.919 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -64.02 -46.11 85.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 20.0 110.616 179.499 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -71.58 -35.6 70.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.477 -178.377 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 29' ' ' VAL . 49.6 tp -71.88 -33.38 68.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.022 -0.536 . . . . 20.0 110.137 178.312 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -57.93 -27.62 63.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.595 -0.729 . . . . 20.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.98 -37.95 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.931 0.396 . . . . 20.0 110.983 178.835 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -90.22 -30.04 17.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 20.0 110.685 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 25' ' ' LEU . 84.6 t -73.58 -41.74 55.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 20.0 111.116 -178.81 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.18 64.6 7.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.033 -0.53 . . . . 20.0 110.874 -178.596 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 m -79.78 67.82 5.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.078 -0.712 . . . . 20.0 109.078 174.313 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.3 m -65.96 99.84 0.53 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.408 -0.815 . . . . 20.0 110.87 -176.435 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -97.39 110.19 22.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.525 -0.546 . . . . 20.0 109.525 177.081 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.54 139.68 48.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.772 0.32 . . . . 20.0 110.686 -177.206 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.01 74.73 71.78 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.546 -0.539 . . . . 20.0 109.546 176.863 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -86.9 51.83 2.48 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.929 2.419 . . . . 20.0 112.055 -177.302 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 69.77 114.97 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.307 -0.86 . . . . 20.0 110.627 -179.561 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.82 63.41 3.95 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.528 2.152 . . . . 20.0 112.101 178.57 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -143.04 10.26 1.73 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.605 -0.725 . . . . 20.0 110.462 178.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.9 mt -85.75 127.96 60.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.521 -0.763 . . . . 20.0 110.743 -176.511 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -56.4 141.43 89.5 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.752 2.301 . . . . 20.0 111.291 174.557 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -70.63 -24.33 62.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.203 -174.601 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -73.27 -34.81 66.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.292 0.568 . . . . 20.0 109.632 173.845 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.9 -36.85 80.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.297 -0.865 . . . . 20.0 110.333 -179.081 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.36 -44.34 92.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.874 -0.603 . . . . 20.0 110.505 177.891 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -61.39 -37.13 82.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.028 0.442 . . . . 20.0 110.286 178.424 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -65.64 -47.25 76.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.037 -179.84 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HD3' ' SD ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -73.59 -19.95 60.74 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.743 -0.383 . . . . 20.0 111.028 -179.07 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.408 ' SD ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -68.34 -38.99 82.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.046 0.451 . . . . 20.0 109.964 171.765 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.8 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.255 176.357 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.609 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 43.9 mt-10 -63.51 -41.98 98.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.414 -0.812 . . . . 20.0 110.176 176.862 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -57.17 -45.14 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.906 177.766 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -64.55 -38.0 89.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.201 0.524 . . . . 20.0 110.101 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.16 88.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.79 -0.641 . . . . 20.0 111.183 179.701 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 96.3 mttt -60.64 -32.17 71.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.48 . . . . 20.0 110.998 179.398 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.8 ttp -62.86 -38.55 91.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.526 . . . . 20.0 111.058 -177.86 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.1 10.17 38.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 20.0 110.858 -179.566 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? 65.57 93.47 0.07 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.257 -0.883 . . . . 20.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -118.43 152.07 36.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.651 -0.704 . . . . 20.0 109.895 -178.616 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -88.7 134.36 33.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.989 -0.374 . . . . 20.0 109.989 178.774 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -77.75 144.74 36.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.436 -179.064 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.3 tttm 65.98 26.69 10.88 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.892 0.853 . . . . 20.0 109.912 -178.86 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.177 -0.916 . . . . 20.0 109.667 -179.192 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.956 0.408 . . . . 20.0 110.538 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.78 78.88 1.86 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.984 0.421 . . . . 20.0 110.042 -179.109 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -113.66 2.8 15.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.862 -178.641 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 46.67 18.52 0.07 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.919 1.287 . . . . 20.0 113.824 179.908 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' -3' ' ' ASP . . . . . 0.4 ' CG ' ' H ' ' A' ' -2' ' ' ASP . 5.9 t70 53.37 -170.95 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.472 0.709 . . . . 20.0 111.628 178.922 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.4 ' H ' ' CG ' ' A' ' -3' ' ' ASP . 14.0 m-20 -132.52 -46.19 0.89 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.436 -0.347 . . . . 20.0 111.108 179.288 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -90.0 -34.03 16.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.449 -0.341 . . . . 20.0 110.692 -178.083 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.05 -20.74 60.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.319 0.58 . . . . 20.0 110.388 176.674 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' -4' ' ' LYS . 36.1 tptt -92.86 0.11 57.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.69 -0.686 . . . . 20.0 109.182 176.246 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 t30 67.45 -67.05 0.19 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.352 -0.84 . . . . 20.0 110.291 -175.11 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -171.8 -65.23 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.673 -0.862 . . . . 20.0 108.673 174.924 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.17 70.05 1.29 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.526 -0.761 . . . . 20.0 109.888 178.381 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 22.3 tp -91.5 19.13 6.47 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.177 -0.465 . . . . 20.0 110.649 -175.711 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 47.6 t 72.85 142.65 0.09 OUTLIER Pre-proline 0 C--O 1.236 0.353 0 CA-C-N 115.627 -0.715 . . . . 20.0 111.633 175.037 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.21 51.81 2.96 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.925 2.417 . . . . 20.0 111.239 173.555 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.479 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 19.9 ttt -152.22 175.62 12.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.939 -1.134 . . . . 20.0 107.939 -177.166 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 8' ' ' MET . 90.4 t 74.29 132.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 121.086 0.47 . . . . 20.0 110.258 -177.224 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -62.82 124.84 22.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.544 . . . . 20.0 111.414 -176.821 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -90.93 136.89 32.77 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.477 -0.564 . . . . 20.0 109.477 173.767 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.472 ' H ' HG12 ' A' ' 15' ' ' ILE . 51.7 m-85 -115.28 163.55 15.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.447 -0.342 . . . . 20.0 110.845 -173.874 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -61.48 -38.51 87.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.081 0.467 . . . . 20.0 110.101 178.439 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' A' ' 17' ' ' GLN . 17.6 p -131.17 83.31 2.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.922 -0.581 . . . . 20.0 110.158 174.237 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.472 HG12 ' H ' ' A' ' 12' ' ' PHE . 55.7 mt -64.14 -42.07 94.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.971 -0.559 . . . . 20.0 110.679 -179.463 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -56.61 -40.01 74.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.723 -0.671 . . . . 20.0 110.2 179.146 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 3.5 tp-100 -55.77 -43.17 76.47 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.142 -0.481 . . . . 20.0 110.287 178.458 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -70.12 -38.64 75.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.921 -0.581 . . . . 20.0 110.061 179.411 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -62.99 -30.31 71.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.302 -0.408 . . . . 20.0 111.007 179.246 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 t -77.09 -52.04 10.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.389 -0.369 . . . . 20.0 111.253 -178.688 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -92.97 -49.17 6.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.333 0.494 . . . . 20.0 112.333 -173.279 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -74.93 -12.11 60.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.064 0.394 . . . . 20.0 112.064 -169.414 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.3 -36.55 73.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.059 0.457 . . . . 20.0 110.454 179.266 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -87.16 -27.45 23.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.142 0.496 . . . . 20.0 110.827 178.788 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.8 tp -71.19 -30.3 66.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.818 -0.628 . . . . 20.0 110.461 178.919 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -54.91 -30.7 58.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.712 -0.676 . . . . 20.0 111.43 -176.5 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.97 -39.79 25.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 20.0 111.077 179.387 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' O ' HG22 ' A' ' 31' ' ' THR . 57.8 tttp -79.88 -29.02 39.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.179 -0.464 . . . . 20.0 111.025 -174.725 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -78.07 -15.18 14.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.113 0.482 . . . . 20.0 110.408 179.474 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.37 -12.45 21.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 20.0 111.572 -176.66 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 28' ' ' LYS . 14.7 t -84.73 55.92 3.65 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.311 1.053 . . . . 20.0 110.979 -177.326 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -149.91 146.9 27.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.364 -0.835 . . . . 20.0 109.322 178.241 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.4 tp 60.49 93.77 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.465 0.478 . . . . 20.0 110.067 -176.361 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.66 49.85 6.07 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.681 -0.859 . . . . 20.0 108.681 -169.653 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -63.02 120.39 60.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.487 -1.233 . . . . 20.0 112.772 -169.088 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 73.4 Cg_endo -78.21 151.67 26.84 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.477 2.118 . . . . 20.0 110.942 169.304 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -90.05 121.09 69.13 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.452 -0.34 . . . . 20.0 110.558 179.224 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.26 114.83 2.15 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.615 2.21 . . . . 20.0 111.649 177.478 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.05 139.92 57.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.94 -0.573 . . . . 20.0 111.429 -176.556 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -82.69 125.86 74.73 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.556 -0.747 . . . . 20.0 108.998 175.222 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.45 127.83 27.62 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.016 2.477 . . . . 20.0 112.351 -176.341 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -64.4 -25.12 67.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.925 -0.58 . . . . 20.0 110.665 -176.49 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.574 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 32.6 t70 -65.62 -40.26 92.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.515 -0.311 . . . . 20.0 110.343 177.235 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.2 -39.83 95.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.972 0.415 . . . . 20.0 109.979 177.37 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.77 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.6 -0.727 . . . . 20.0 110.451 177.858 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.3 -36.6 81.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.164 -0.471 . . . . 20.0 110.351 177.458 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 49.7 mtm-85 -69.07 -28.35 66.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.124 0.487 . . . . 20.0 109.744 176.137 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -75.47 -36.4 60.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.614 -0.721 . . . . 20.0 109.991 179.108 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.06 -34.59 75.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.131 176.524 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.41 -29.72 64.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.824 -0.625 . . . . 20.0 110.878 176.523 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.43 -22.22 65.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.597 -0.729 . . . . 20.0 110.664 -179.261 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' A' ' 56' ' ' MET . 10.6 mpt_? -76.02 -47.69 23.87 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.721 -0.474 . . . . 20.0 109.721 174.959 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -62.48 -34.27 76.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 20.0 110.794 179.575 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.49 77.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.946 -0.57 . . . . 20.0 111.081 177.428 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -82.01 -26.14 34.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.104 -0.498 . . . . 20.0 110.409 178.958 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.523 ' HE2' ' HA ' ' A' ' 56' ' ' MET . 30.6 mmt -70.06 -27.8 64.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.079 176.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -67.16 -14.99 63.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.722 -0.672 . . . . 20.0 110.759 179.333 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.3 16.7 1.52 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.326 -0.397 . . . . 20.0 111.187 -179.366 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 62.14 43.05 9.02 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.431 0.634 . . . . 20.0 109.911 -177.782 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -82.05 86.26 6.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.171 -0.922 . . . . 20.0 110.521 -177.146 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 33.1 m -81.46 85.29 6.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.179 -0.464 . . . . 20.0 109.853 176.879 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 61' ' ' SER . 4.2 mppt? 71.56 -55.57 0.65 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.68 0.792 . . . . 20.0 111.109 -175.204 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.4 tp60 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.692 -0.671 . . . . 20.0 109.949 178.992 . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.729 0.299 . . . . 20.0 110.265 . . . . . . . . . 0 0 . 1 . 041 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -89.97 151.22 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.983 -0.553 . . . . 20.0 110.011 178.465 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' -5' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' -4' ' ' LYS . 54.3 m-85 -90.15 -177.86 5.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.153 -0.476 . . . . 20.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' -5' ' ' TYR . 14.2 mmmm 71.57 53.58 0.22 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.606 0.717 . . . . 20.0 109.172 -172.679 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -153.76 -37.62 0.1 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.599 -1.182 . . . . 20.0 109.481 -178.591 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -70.08 -28.77 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.561 -0.745 . . . . 20.0 110.515 178.855 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.87 77.76 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.622 0.725 . . . . 20.0 110.738 177.439 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.37 -43.77 89.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.595 -0.73 . . . . 20.0 110.856 -179.702 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 4' ' ' ALA . 12.8 mptt -83.25 0.98 43.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.881 -0.6 . . . . 20.0 111.047 -177.441 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 67.21 72.8 0.35 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.49 -0.777 . . . . 20.0 111.067 177.058 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 64.06 31.49 13.48 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.669 -0.696 . . . . 20.0 111.737 176.605 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 1' ' ' LYS . . . -119.26 80.62 1.59 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.517 -0.549 . . . . 20.0 109.517 176.29 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.8 mt -52.41 101.76 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.406 -0.816 . . . . 20.0 111.844 -174.371 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m -130.48 75.36 79.14 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 20.0 109.316 176.91 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -72.5 108.85 2.62 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.989 2.459 . . . . 20.0 112.833 -173.489 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.8 mmt -112.02 138.71 48.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.867 -0.606 . . . . 20.0 109.426 173.209 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.9 t 53.31 53.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 122.012 0.911 . . . . 20.0 109.25 -174.049 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.8 m -151.27 32.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.815 -1.084 . . . . 20.0 109.886 179.646 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 57.81 61.28 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.069 -0.969 . . . . 20.0 110.73 -178.019 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -84.77 46.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.637 0.732 . . . . 20.0 111.339 -176.2 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -115.18 -38.22 3.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.347 -0.842 . . . . 20.0 108.878 174.443 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.9 p -112.71 61.62 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.27 -0.877 . . . . 20.0 109.805 176.615 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.661 HD12 ' H ' ' A' ' 15' ' ' ILE . 4.6 mp -62.7 -42.74 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.683 -0.69 . . . . 20.0 110.726 -173.352 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -39.65 95.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 20.0 110.485 -178.134 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.08 -39.54 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.902 -0.59 . . . . 20.0 110.768 -178.771 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -75.8 -37.73 58.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.486 -179.554 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -69.14 -48.18 63.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 20.0 110.873 -176.959 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.5 m -64.18 -34.56 78.36 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.75 0.31 . . . . 20.0 110.943 -179.116 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -70.78 -44.29 66.95 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.914 -0.402 . . . . 20.0 109.914 177.738 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.46 -39.72 94.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.969 -0.56 . . . . 20.0 110.741 178.986 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -55.97 -37.43 69.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.521 -0.763 . . . . 20.0 111.036 -179.431 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -90.34 -39.66 12.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.776 179.917 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 tp -62.18 -25.42 67.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.773 -174.759 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 26' ' ' ARG . 22.9 ptt85 -58.6 -24.64 61.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.839 0.352 . . . . 20.0 110.844 179.532 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.06 63.64 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.178 177.093 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -66.24 -39.25 89.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.222 -0.445 . . . . 20.0 110.422 -179.778 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.27 -44.27 95.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 20.0 111.485 178.508 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.36 -79.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.444 -0.343 . . . . 20.0 111.637 -176.357 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 49.2 m -151.63 118.62 5.85 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.249 -0.278 . . . . 20.0 110.249 179.848 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 m -88.05 39.69 0.91 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.26 0.552 . . . . 20.0 110.811 -177.214 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.3 tp -160.67 137.8 9.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.722 -0.672 . . . . 20.0 109.635 -178.512 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.07 95.84 4.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.784 0.326 . . . . 20.0 110.169 177.077 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -69.53 136.86 88.32 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.927 -0.578 . . . . 20.0 110.861 -176.913 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.81 92.36 1.11 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.946 2.43 . . . . 20.0 112.937 -177.781 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 44.9 ttp180 62.89 91.53 0.08 OUTLIER Pre-proline 0 C--O 1.235 0.311 0 CA-C-N 115.626 -0.716 . . . . 20.0 111.97 175.073 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 4.1 Cg_endo -50.5 138.07 39.68 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.225 1.95 . . . . 20.0 110.815 170.071 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.99 110.9 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.356 0.598 . . . . 20.0 112.208 -174.242 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mt -88.7 126.0 61.17 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.082 -0.963 . . . . 20.0 110.121 -178.887 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.469 ' O ' HG23 ' A' ' 45' ' ' VAL . 50.6 Cg_exo -51.59 133.97 45.31 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.48 2.12 . . . . 20.0 110.987 174.548 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -63.17 -23.92 67.65 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.644 0.609 . . . . 20.0 112.644 -170.655 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -77.96 -32.2 51.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.408 0.623 . . . . 20.0 109.921 176.162 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.58 -23.97 36.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.439 -0.801 . . . . 20.0 110.377 -178.873 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 41' ' ' PRO . 72.1 t -55.86 -36.58 44.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.771 176.146 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.2 -33.64 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.157 0.503 . . . . 20.0 110.64 179.069 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.559 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 3.3 mmp_? -84.47 -40.83 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.889 178.405 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -74.2 -20.59 60.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.097 -176.295 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 54.0 tpp -63.33 -28.94 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.7 179.565 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.2 -25.53 67.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.299 0.571 . . . . 20.0 110.677 176.888 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -92.17 -34.42 14.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.68 . . . . 20.0 111.093 175.878 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 5.7 mmp_? -82.31 -17.91 44.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.796 0.665 . . . . 20.0 112.796 -172.528 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -63.21 -17.65 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.246 0.546 . . . . 20.0 110.592 -179.485 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -67.7 -9.96 48.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.455 -0.793 . . . . 20.0 111.609 179.709 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -79.17 -24.76 43.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.761 0.315 . . . . 20.0 110.505 176.685 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.537 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 27.1 ttt -68.87 -22.49 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 20.0 111.7 -172.566 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 15.6 ptm180 -75.87 -17.32 59.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 20.0 110.421 176.877 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -96.78 -52.83 3.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.858 -0.61 . . . . 20.0 109.52 177.784 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 56' ' ' MET . 75.0 mm-40 -131.55 135.83 47.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.503 -0.771 . . . . 20.0 109.913 -179.772 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -99.24 13.62 32.42 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.373 0.606 . . . . 20.0 110.021 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 p -80.72 63.27 5.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.639 -0.709 . . . . 20.0 111.2 -178.826 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -87.68 -5.41 58.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.462 0.649 . . . . 20.0 109.673 177.396 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.333 -0.842 . . . . 20.0 110.082 178.487 . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.692 0.282 . . . . 20.0 110.819 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' -6' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' A' ' -2' ' ' ASP . 4.6 m-20 -135.37 159.0 42.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.858 0.361 . . . . 20.0 110.54 -179.517 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -80.14 -19.22 47.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.119 -179.606 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -150.64 140.98 22.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.334 -0.848 . . . . 20.0 108.836 175.357 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 59.22 58.27 3.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.244 0.545 . . . . 20.0 109.761 -176.747 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.491 ' HA ' ' HB2' ' A' ' -6' ' ' ASP . 32.5 t70 -61.1 -45.73 93.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.154 -0.93 . . . . 20.0 112.336 -173.323 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -77.8 139.92 39.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.817 -177.17 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -85.12 -8.25 58.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.148 -0.478 . . . . 20.0 110.853 -178.148 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -66.39 -14.3 61.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.952 -0.567 . . . . 20.0 111.211 -179.776 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 t30 53.08 81.15 0.09 Allowed 'General case' 0 C--O 1.237 0.443 0 O-C-N 123.607 0.567 . . . . 20.0 111.738 171.857 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -87.47 89.34 7.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.834 -0.621 . . . . 20.0 109.669 177.13 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.92 61.5 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.899 -178.072 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.03 131.91 44.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.766 -0.652 . . . . 20.0 109.886 178.98 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -116.73 86.27 18.7 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.191 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.19 -18.34 14.35 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.178 1.919 . . . . 20.0 111.727 179.217 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -74.58 -2.36 25.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.196 -178.069 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.8 -28.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.423 0.63 . . . . 20.0 109.788 174.672 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -154.87 71.63 0.81 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.391 -0.822 . . . . 20.0 109.169 176.2 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -73.22 125.39 27.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.617 -0.72 . . . . 20.0 111.466 -174.847 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -133.06 62.64 1.65 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.737 -0.665 . . . . 20.0 109.332 173.956 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -112.16 148.95 32.94 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.418 -0.81 . . . . 20.0 110.245 -177.959 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 t -76.4 113.03 13.54 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.304 0.573 . . . . 20.0 110.085 176.476 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.624 ' HA ' ' HB2' ' A' ' 19' ' ' ASN . 33.9 pt -103.16 34.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.5 0.667 . . . . 20.0 110.324 179.363 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -90.52 -52.9 4.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.133 -0.94 . . . . 20.0 113.048 -170.657 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -92.5 -73.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.783 0.661 . . . . 20.0 112.783 -175.203 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -91.69 -38.53 12.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.38 0.61 . . . . 20.0 110.958 -174.139 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.624 ' HB2' ' HA ' ' A' ' 15' ' ' ILE . 29.7 m-20 -65.02 -14.93 61.65 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.286 -0.87 . . . . 20.0 111.959 -174.532 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -57.99 -38.63 76.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 20.0 111.184 178.99 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -88.66 -29.1 20.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.575 -0.528 . . . . 20.0 109.575 179.213 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' HB3' ' HA ' ' A' ' 19' ' ' ASN . 28.0 t-20 -62.98 -24.99 68.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.532 178.102 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 39.6 mt-10 -50.77 -43.91 58.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.49 -0.323 . . . . 20.0 111.528 177.988 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -74.48 -38.74 62.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.512 -0.313 . . . . 20.0 110.995 -179.011 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.04 -42.57 89.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.657 -0.498 . . . . 20.0 109.657 179.811 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -62.32 -45.79 91.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.451 -0.795 . . . . 20.0 110.678 -178.831 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.6 -24.64 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.092 0.472 . . . . 20.0 111.252 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -79.89 -48.32 13.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.849 -0.614 . . . . 20.0 110.631 -179.28 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.91 -49.54 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 20.0 110.761 179.923 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.42 84.46 7.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.203 0.525 . . . . 20.0 110.34 -179.548 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.0 m -81.62 97.83 8.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.455 -179.13 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.5 t -85.0 145.58 27.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 20.0 110.508 -178.216 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -124.21 31.73 5.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.914 -0.585 . . . . 20.0 110.196 179.105 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 64.43 85.05 0.14 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.033 -0.985 . . . . 20.0 110.835 -179.073 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.46 114.98 14.85 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.371 -0.831 . . . . 20.0 110.551 -178.5 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.19 -7.95 9.94 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.957 2.438 . . . . 20.0 113.901 -173.301 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 29.7 ptt180 -83.46 133.07 47.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 120.77 -0.372 . . . . 20.0 110.494 -177.302 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' ARG . 26.0 Cg_exo -63.47 118.66 5.58 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.563 2.175 . . . . 20.0 111.833 176.21 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.7 140.37 29.72 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.049 -0.523 . . . . 20.0 110.323 178.226 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.0 mt -93.42 119.27 67.49 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.701 -0.481 . . . . 20.0 109.701 177.254 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.18 119.85 5.97 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.991 2.461 . . . . 20.0 112.236 178.741 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.519 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 8.4 p-80 -73.21 -16.47 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.931 -0.308 . . . . 20.0 110.313 179.718 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 11.0 m-20 -59.33 -40.3 85.91 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 109.646 -0.501 . . . . 20.0 109.646 174.39 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 14.6 tp10 -52.56 -45.73 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.334 175.776 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.02 -46.48 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.52 -0.763 . . . . 20.0 111.229 -178.91 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 38.8 mt-10 -61.35 -40.15 93.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 20.0 111.535 -177.165 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 43' ' ' ASP . 3.4 mpt_? -68.39 -21.44 64.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 20.0 110.942 178.551 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 92.9 mtt180 -83.3 -40.61 19.28 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.766 -0.457 . . . . 20.0 109.766 176.627 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.2 mmt -70.46 -21.0 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.756 178.571 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.7 -34.82 65.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 20.0 111.106 176.892 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.08 -26.51 62.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.751 179.617 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -84.45 -25.82 28.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.865 -0.607 . . . . 20.0 109.561 -179.25 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -65.54 -14.63 61.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.27 -0.877 . . . . 20.0 110.385 176.804 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.51 -26.66 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 20.0 110.493 175.226 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -69.51 -25.84 64.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.921 -0.581 . . . . 20.0 110.762 177.479 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 96.4 mmm -73.05 -13.98 61.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.108 0.48 . . . . 20.0 110.451 179.797 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 14.2 tpt180 -81.27 -20.31 41.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.152 -0.684 . . . . 20.0 109.152 175.111 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -85.74 -45.21 11.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.433 -0.803 . . . . 20.0 109.082 171.929 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -76.78 80.43 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.712 -0.676 . . . . 20.0 109.658 175.202 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -72.34 -7.52 50.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.956 -0.565 . . . . 20.0 111.199 -177.183 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -121.84 152.85 39.1 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.263 -1.014 . . . . 20.0 108.263 172.977 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -99.54 4.77 46.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.279 0.561 . . . . 20.0 110.156 -176.57 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.403 -0.808 . . . . 20.0 109.608 177.406 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.173 0.511 . . . . 20.0 110.21 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -140.6 79.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -122.61 135.88 54.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.087 177.967 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -130.62 165.19 23.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.078 -0.51 . . . . 20.0 110.035 178.949 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.0 t70 59.93 80.76 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.475 0.655 . . . . 20.0 111.179 -177.645 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.01 -69.18 0.67 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.868 -0.606 . . . . 20.0 109.713 177.129 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.35 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 20.0 110.782 174.767 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 0' ' ' ASP . . . . . 0.465 ' HA ' ' HB3' ' A' ' 3' ' ' ARG . 2.3 m-20 -69.31 -21.08 63.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.213 -0.449 . . . . 20.0 111.998 -175.488 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -65.83 -20.17 66.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.267 -0.424 . . . . 20.0 111.388 -178.991 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -109.59 -32.39 7.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.97 0.414 . . . . 20.0 109.986 171.003 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' HB3' ' HA ' ' A' ' 0' ' ' ASP . 29.0 tpt180 -80.02 64.82 4.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.783 0.801 . . . . 20.0 109.823 175.635 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.31 33.88 2.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.445 -0.798 . . . . 20.0 109.873 177.559 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.29 121.84 43.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.407 -0.815 . . . . 20.0 110.383 -177.306 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -124.78 95.79 41.81 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.345 -0.613 . . . . 20.0 109.345 177.461 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -66.89 89.73 0.3 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.893 2.395 . . . . 20.0 112.266 -178.687 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.1 ptm -90.87 148.68 22.33 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.674 -0.491 . . . . 20.0 109.674 177.002 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 m -117.99 135.27 58.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.026 0.441 . . . . 20.0 110.555 179.859 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 m -133.52 130.65 38.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.45 -0.574 . . . . 20.0 109.45 178.01 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 57.65 60.15 2.94 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.67 0.606 . . . . 20.0 109.633 -176.082 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.438 ' HA ' HD13 ' A' ' 15' ' ' ILE . 45.6 t80 -72.98 79.29 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.227 -0.897 . . . . 20.0 110.222 -179.172 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -132.15 -55.57 0.98 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.18 -0.464 . . . . 20.0 110.999 -178.953 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 p -91.86 35.87 0.97 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.189 0.519 . . . . 20.0 111.314 -179.702 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.637 HG22 ' H ' ' A' ' 17' ' ' GLN . 1.9 mp -104.06 128.53 57.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.088 -0.505 . . . . 20.0 110.21 -176.665 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 43.5 mt-10 -66.09 -12.62 56.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.57 -0.741 . . . . 20.0 112.094 -173.479 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.637 ' H ' HG22 ' A' ' 15' ' ' ILE . 27.3 tt0 -65.15 -21.4 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.92 0.391 . . . . 20.0 110.812 178.721 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -81.73 -28.05 33.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.365 0.602 . . . . 20.0 109.654 175.915 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.426 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 17.0 m120 -73.11 -14.96 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.298 -0.865 . . . . 20.0 110.117 178.583 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -63.33 -19.96 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.48 176.046 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.473 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 45.4 t80 -65.24 -50.91 64.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.545 -0.298 . . . . 20.0 110.58 177.858 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' HA ' HD12 ' A' ' 25' ' ' LEU . 2.8 p-10 -71.76 -22.48 61.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.036 0.446 . . . . 20.0 110.09 178.91 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 7.1 tp10 -61.66 -39.78 92.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.649 . . . . 20.0 109.978 173.025 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -75.88 -29.52 58.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.336 . . . . 20.0 111.007 176.47 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 22' ' ' ASN . 96.5 mt -67.22 -43.53 81.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.53 -0.305 . . . . 20.0 111.015 -178.972 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.446 ' HD2' ' C ' ' A' ' 26' ' ' ARG . 4.5 ppt_? -66.97 -20.82 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.226 0.536 . . . . 20.0 110.35 178.26 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.22 -21.6 46.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.842 -0.617 . . . . 20.0 110.878 177.78 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -73.71 -46.82 43.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.268 179.44 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.8 p -69.05 -40.35 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.041 176.915 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 47.6 55.37 8.47 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 113.018 0.747 . . . . 20.0 113.018 172.437 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.2 p -87.19 -82.41 0.21 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.881 0.372 . . . . 20.0 110.03 174.924 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 m -129.61 12.81 5.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.655 0.741 . . . . 20.0 109.247 173.51 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.8 mt -87.73 88.09 7.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.941 -1.027 . . . . 20.0 110.702 -177.568 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.0 65.59 0.78 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.534 -0.757 . . . . 20.0 109.284 175.53 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 28.3 t70 -85.15 118.68 71.33 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.673 -0.694 . . . . 20.0 110.834 -175.294 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 12.0 Cg_exo -70.44 88.76 0.61 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.482 2.121 . . . . 20.0 111.106 174.357 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.617 ' N ' ' HD2' ' A' ' 38' ' ' PRO . 15.0 ptm180 -62.85 -36.26 24.44 Favored Pre-proline 0 CA--C 1.543 0.673 0 N-CA-C 113.538 0.94 . . . . 20.0 113.538 -177.093 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 37' ' ' ARG . 17.8 Cg_endo -58.9 128.65 28.72 Favored 'Trans proline' 0 C--N 1.365 1.423 0 CA-C-N 120.773 1.312 . . . . 20.0 111.967 179.07 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.4 94.35 2.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.323 -0.399 . . . . 20.0 109.978 177.29 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 pt -136.39 118.36 11.69 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.931 -0.577 . . . . 20.0 111.209 -177.465 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.474 ' O ' HG23 ' A' ' 45' ' ' VAL . 39.7 Cg_exo -60.35 128.87 27.57 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.63 2.22 . . . . 20.0 111.204 177.361 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -60.19 -26.21 66.17 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.897 0.332 . . . . 20.0 111.897 -174.068 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -80.84 -21.27 40.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 20.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -89.27 -33.74 16.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.093 178.221 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.477 HG13 ' HB2' ' A' ' 49' ' ' MET . 86.2 t -58.73 -40.32 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 20.0 110.155 175.688 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.82 -23.5 63.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.388 -0.824 . . . . 20.0 110.937 179.357 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -83.98 -69.03 0.67 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.364 -0.38 . . . . 20.0 111.404 -178.047 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -90.67 -39.09 12.66 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.668 0.618 . . . . 20.0 112.668 -171.353 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.477 ' HB2' HG13 ' A' ' 45' ' ' VAL . 82.9 mtp -89.6 -16.31 30.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.906 0.706 . . . . 20.0 112.906 -171.914 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.56 -58.77 1.22 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.666 0.987 . . . . 20.0 113.666 -173.422 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 33.9 mt-10 -72.58 -32.5 66.05 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.664 -0.414 . . . . 20.0 111.164 -175.945 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -62.25 -40.88 97.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.264 0.554 . . . . 20.0 109.759 175.796 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 56' ' ' MET . 79.6 t80 -69.5 -37.26 77.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.387 -0.824 . . . . 20.0 110.091 178.321 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.37 97.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.955 -0.566 . . . . 20.0 110.941 177.761 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 99.5 mttt -62.98 -36.0 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.689 -179.348 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 21.7 ptp -85.53 -19.69 30.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.749 0.309 . . . . 20.0 110.82 -178.67 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -83.32 -42.82 16.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.09 178.973 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -78.39 63.39 3.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.802 -0.635 . . . . 20.0 110.145 177.593 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -103.92 3.88 34.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.824 -179.433 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -91.45 54.99 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.007 -0.542 . . . . 20.0 109.545 178.644 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 m -67.07 89.43 0.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.32 -0.854 . . . . 20.0 111.496 -176.374 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -88.27 71.43 9.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.407 0.622 . . . . 20.0 110.897 179.124 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.116 -0.945 . . . . 20.0 110.273 178.009 . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.138 -0.319 . . . . 20.0 110.138 . . . . . . . . . 0 0 . 1 . 044 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -131.43 171.66 13.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.017 -0.538 . . . . 20.0 111.086 -174.355 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 65.62 159.32 0.11 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.921 0.763 . . . . 20.0 112.26 -179.026 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.32 -22.17 13.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.512 -0.767 . . . . 20.0 110.774 -177.797 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 49.88 77.15 0.12 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.625 0.578 . . . . 20.0 111.182 177.024 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.48 -60.41 3.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.334 -0.393 . . . . 20.0 110.5 179.098 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.5 t70 59.21 -166.22 0.18 Allowed 'General case' 0 CA--C 1.535 0.395 0 O-C-N 123.749 0.656 . . . . 20.0 110.362 178.303 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.73 -65.28 1.01 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.165 -0.334 . . . . 20.0 110.877 179.754 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -91.95 -60.97 1.73 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.291 0.567 . . . . 20.0 109.807 179.664 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -147.32 -50.97 0.19 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.284 -0.871 . . . . 20.0 109.42 179.806 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -172.98 133.35 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.49 -0.777 . . . . 20.0 110.152 175.213 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.3 -12.73 45.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 20.0 109.95 175.495 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.7 tp 46.46 74.55 0.14 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 124.203 0.94 . . . . 20.0 111.607 174.023 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m -79.01 111.53 20.7 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.792 -0.64 . . . . 20.0 110.152 177.991 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.4 120.25 6.41 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.29 1.993 . . . . 20.0 112.379 -176.755 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.3 ttp -124.03 76.76 1.48 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.083 -0.71 . . . . 20.0 109.083 175.669 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.5 p -120.58 127.72 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.612 -0.722 . . . . 20.0 110.548 -175.849 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.3 p -90.42 152.91 20.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.566 -178.983 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -77.02 43.55 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.158 0.504 . . . . 20.0 111.219 -179.757 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -91.9 -8.95 44.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.921 -0.581 . . . . 20.0 109.723 -179.172 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -57.23 -38.22 73.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.32 -0.854 . . . . 20.0 111.308 -179.455 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.496 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 5.1 p -61.68 -54.37 43.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 20.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.59 -42.87 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 20.0 110.742 179.093 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.23 -33.38 75.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.731 0.3 . . . . 20.0 111.19 178.913 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.79 -35.99 75.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 20.0 110.161 178.943 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 14' ' ' THR . 7.8 mm-40 -80.58 -38.27 29.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.958 -0.565 . . . . 20.0 110.437 -179.232 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -73.05 -14.79 61.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 20.0 110.339 -179.911 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 t -59.96 -17.5 38.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.459 -0.791 . . . . 20.0 111.583 -178.539 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.405 ' HD1' ' O ' ' A' ' 18' ' ' GLU . 16.0 p90 -55.48 -27.34 47.78 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.522 0.201 . . . . 20.0 111.45 -177.722 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 92.1 m-20 -62.09 -28.68 69.79 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.315 -0.402 . . . . 20.0 111.349 179.804 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.498 ' CD ' HH22 ' A' ' 37' ' ' ARG . 46.8 mt-10 -64.05 -35.62 81.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.88 -177.829 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -69.31 -29.12 66.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.448 -0.342 . . . . 20.0 110.623 176.985 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.55 -34.64 72.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 20.0 109.912 175.844 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 12.3 mmp_? -73.08 -40.58 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.079 178.394 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.18 -22.09 63.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.875 -0.602 . . . . 20.0 110.899 178.715 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.13 -44.92 90.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.709 177.268 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -85.73 -15.64 10.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.121 179.09 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 46.54 62.13 2.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.639 -0.71 . . . . 20.0 112.541 171.788 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m -117.12 30.94 7.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.203 0.525 . . . . 20.0 110.098 179.086 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 m 55.85 47.23 20.62 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.403 -0.817 . . . . 20.0 111.084 179.737 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -99.88 94.75 6.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.338 -179.018 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.08 147.02 31.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.255 -0.43 . . . . 20.0 110.757 -179.579 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -101.88 107.88 53.98 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.281 178.205 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -62.09 100.7 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.951 2.434 . . . . 20.0 112.221 178.671 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.498 HH22 ' CD ' ' A' ' 23' ' ' GLU . 73.8 mtm180 -137.0 155.8 76.07 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.652 -0.703 . . . . 20.0 109.68 -176.957 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.23 51.23 1.33 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.919 2.413 . . . . 20.0 112.325 175.22 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -141.91 143.56 33.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.376 -0.829 . . . . 20.0 109.476 -179.861 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.3 mp -102.82 116.1 63.15 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.668 0.27 . . . . 20.0 110.812 -177.245 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -75.53 148.13 32.88 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.523 2.149 . . . . 20.0 110.922 173.109 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -73.27 -9.36 58.63 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.668 -0.413 . . . . 20.0 110.849 -176.575 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.64 -52.45 65.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 20.0 110.823 176.134 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.33 -18.91 59.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.498 -0.319 . . . . 20.0 110.825 -177.949 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.21 -42.16 95.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.984 0.421 . . . . 20.0 110.149 176.068 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -59.4 -33.46 71.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.552 -0.749 . . . . 20.0 110.467 176.935 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 6.9 tpm_? -83.1 -32.0 26.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.842 -0.617 . . . . 20.0 110.935 -179.18 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.7 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 65.2 mtp180 -78.07 -16.97 57.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.497 -179.348 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.6 mmt -48.53 -35.26 12.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.709 -0.223 . . . . 20.0 111.452 177.567 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.68 -50.89 62.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 20.0 111.992 178.43 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.7 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 11.6 pt-20 -67.96 -30.51 69.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.071 0.462 . . . . 20.0 110.373 -178.638 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -70.6 -32.91 70.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.423 179.208 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -72.54 -31.99 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.391 . . . . 20.0 110.228 175.628 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.23 93.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.223 174.606 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 48.3 mtpt -77.17 -19.75 56.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.975 -0.557 . . . . 20.0 110.442 176.837 . . . . . . . . 2 2 . 1 . 044 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.5 ttt -71.01 -21.49 62.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.004 177.405 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -71.19 -18.56 62.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.895 174.911 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.5 tttm 72.48 123.53 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 114.523 -1.217 . . . . 20.0 112.717 173.125 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -117.64 135.42 54.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.287 -0.869 . . . . 20.0 108.838 174.031 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -87.25 -87.55 0.14 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 20.0 110.208 -176.638 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.2 p -161.61 -10.02 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.166 -0.47 . . . . 20.0 110.915 177.29 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 60.49 87.78 0.09 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.553 -0.748 . . . . 20.0 110.712 -178.079 . . . . . . . . 1 1 . 1 . 044 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.433 -0.794 . . . . 20.0 110.495 179.178 . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.871 0.367 . . . . 20.0 111.165 . . . . . . . . . 0 0 . 1 . 045 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -83.36 93.88 7.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.679 -175.721 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -148.17 76.84 1.39 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.366 0.603 . . . . 20.0 110.891 -179.354 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -123.85 22.75 8.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.707 -0.849 . . . . 20.0 108.707 171.792 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.33 -20.66 56.38 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 114.543 -1.208 . . . . 20.0 112.476 -174.464 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' -2' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 0' ' ' ASP . 15.0 m-20 -61.66 -25.6 67.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.771 -0.195 . . . . 20.0 110.996 177.81 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 3.9 p30 54.83 -62.86 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.62 1.568 . . . . 20.0 113.847 179.403 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 0' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' -2' ' ' ASP . 33.7 t70 -63.5 -31.57 72.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.131 0.491 . . . . 20.0 110.744 179.548 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -80.77 -0.05 36.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.963 -0.562 . . . . 20.0 110.77 -179.312 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -130.97 30.48 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 20.0 109.594 178.335 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 3' ' ' ARG . 13.4 ptm180 -76.94 133.16 39.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.809 -0.632 . . . . 20.0 110.114 -179.498 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.84 61.42 1.68 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.962 0.41 . . . . 20.0 110.626 -177.041 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.01 64.39 6.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.733 0.777 . . . . 20.0 111.158 -177.251 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.51 ' HB3' ' HD2' ' A' ' 7' ' ' PRO . 7.5 m -85.42 175.7 4.31 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 114.805 -1.089 . . . . 20.0 108.307 172.693 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 6' ' ' SER . 87.1 Cg_exo -44.14 -58.96 1.23 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.987 1.791 . . . . 20.0 111.54 174.527 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.0 tpt 65.41 125.85 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.447 0.641 . . . . 20.0 112.686 170.513 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.56 HG22 ' H ' ' A' ' 11' ' ' GLU . 14.9 p -56.1 139.82 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.879 -0.6 . . . . 20.0 110.088 175.521 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 t -69.55 -10.74 59.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.07 0.462 . . . . 20.0 110.946 -175.015 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.56 ' H ' HG22 ' A' ' 9' ' ' VAL . 41.6 mm-40 -90.86 62.26 4.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.948 -0.569 . . . . 20.0 109.621 174.338 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -82.52 73.24 9.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.841 0.829 . . . . 20.0 111.079 -177.975 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -81.68 -2.66 51.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.19 -0.914 . . . . 20.0 109.926 176.823 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 p -80.44 55.67 2.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.284 -0.871 . . . . 20.0 111.19 -179.218 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 15' ' ' ILE . 18.5 pt -89.83 169.8 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.334 -0.848 . . . . 20.0 110.721 -179.272 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.45 -36.77 71.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.75 0.31 . . . . 20.0 110.902 178.684 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -63.87 -29.15 70.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 20.0 111.191 179.425 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.97 -40.23 92.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.047 -0.353 . . . . 20.0 110.047 179.492 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -67.56 -24.77 65.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.705 -177.31 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m -70.76 -41.58 71.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.979 -0.555 . . . . 20.0 110.136 177.44 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -80.86 -30.78 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.268 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -54.82 -37.79 66.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.779 -0.646 . . . . 20.0 110.186 178.886 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.65 -45.17 95.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.839 179.752 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -77.83 -36.37 50.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 20.0 110.801 -178.018 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.77 -26.72 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.902 0.382 . . . . 20.0 110.346 177.626 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -70.27 -24.23 63.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.98 -0.555 . . . . 20.0 110.249 178.495 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.91 -32.34 20.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.122 0.487 . . . . 20.0 110.527 178.249 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -91.06 2.15 56.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.661 -0.699 . . . . 20.0 111.222 -177.843 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.0 p -56.12 -24.8 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 112.356 0.502 . . . . 20.0 112.356 -173.621 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.86 66.67 2.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.216 0.531 . . . . 20.0 110.153 176.468 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 p -87.98 151.61 22.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.63 -0.714 . . . . 20.0 110.37 -178.944 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 t -90.17 38.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.265 0.555 . . . . 20.0 110.224 -177.363 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -108.93 18.24 20.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.824 -0.626 . . . . 20.0 110.594 -179.285 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.46 95.16 5.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.666 -179.01 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 4.9 m-20 -74.08 140.91 77.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.244 -0.434 . . . . 20.0 110.277 178.682 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 7.5 Cg_exo -73.91 62.13 4.81 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.747 2.298 . . . . 20.0 111.503 174.994 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -98.78 120.32 59.1 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.406 -0.816 . . . . 20.0 110.453 -176.545 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.9 54.94 4.24 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.829 2.353 . . . . 20.0 112.466 -179.673 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.3 176.65 8.22 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.481 -0.781 . . . . 20.0 109.619 179.396 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.7 mt -58.78 117.45 21.06 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 120.767 0.318 . . . . 20.0 110.222 175.765 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.79 161.82 18.76 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.685 2.257 . . . . 20.0 112.362 -178.118 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -82.27 -1.1 48.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.366 0.603 . . . . 20.0 109.71 178.201 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.565 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 8.6 m-20 -70.12 -15.65 63.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.295 -0.866 . . . . 20.0 110.206 177.295 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.15 -43.49 95.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.751 -0.658 . . . . 20.0 110.415 177.947 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.3 -38.09 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.466 0.65 . . . . 20.0 109.9 178.31 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.17 -30.81 71.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.962 -1.017 . . . . 20.0 111.26 179.362 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 5.3 mmp_? -56.15 -42.38 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.481 -0.327 . . . . 20.0 111.549 -176.723 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -65.37 -35.32 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.265 0.555 . . . . 20.0 110.28 -179.314 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.38 -25.96 42.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.211 -179.597 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.37 -31.59 72.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.817 -0.628 . . . . 20.0 110.316 175.02 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.53 -28.18 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 20.0 110.684 176.797 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -73.89 -40.67 63.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.356 -0.609 . . . . 20.0 109.356 175.195 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -66.16 -23.63 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.312 177.379 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -64.11 -18.64 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.793 -0.64 . . . . 20.0 111.215 177.57 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -90.06 -21.82 22.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.168 0.509 . . . . 20.0 110.216 176.756 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -91.89 -2.42 56.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.853 -0.612 . . . . 20.0 111.368 178.737 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 4.7 ptp180 -66.79 -27.75 67.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 20.0 110.787 -178.48 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -81.25 -15.58 55.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.132 0.492 . . . . 20.0 110.321 178.135 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -91.21 -49.43 6.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.627 -0.715 . . . . 20.0 109.999 -179.43 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -95.34 -85.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.926 -179.202 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.8 m -159.01 165.38 34.16 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.764 -0.458 . . . . 20.0 109.764 179.678 . . . . . . . . 1 1 . 1 . 045 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . 21.7 pttp -129.67 59.1 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.52 0.676 . . . . 20.0 110.472 178.511 . . . . . . . . 2 2 . 1 . 045 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.348 -0.834 . . . . 20.0 110.471 -178.819 . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.869 0.366 . . . . 20.0 110.461 . . . . . . . . . 0 0 . 1 . 046 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -153.45 121.06 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.377 -0.601 . . . . 20.0 109.377 -179.606 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -90.29 165.73 13.74 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.881 -0.328 . . . . 20.0 110.988 -176.023 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 63.5 tttm 75.79 -46.01 0.55 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.932 0.77 . . . . 20.0 111.491 179.28 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -103.11 109.19 20.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.54 -0.541 . . . . 20.0 109.54 175.373 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -92.57 -65.08 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.865 -0.334 . . . . 20.0 111.25 -176.318 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -128.04 152.95 47.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.223 0.535 . . . . 20.0 111.053 -178.158 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -90.78 -4.92 56.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.685 -0.689 . . . . 20.0 111.255 -176.202 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -81.57 -2.96 51.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.33 0.586 . . . . 20.0 110.286 -178.2 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -118.21 91.59 3.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.49 -0.777 . . . . 20.0 109.008 171.195 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -69.6 131.93 45.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.988 -0.551 . . . . 20.0 111.189 -175.353 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.15 -7.66 57.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.768 -0.651 . . . . 20.0 111.449 -178.127 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.0 mm? -88.52 40.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.471 0.653 . . . . 20.0 110.189 -179.146 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -153.71 142.2 14.28 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.293 -0.867 . . . . 20.0 109.13 178.736 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.6 71.61 3.18 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.538 2.159 . . . . 20.0 112.354 179.644 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mtp -91.01 56.73 3.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.517 0.675 . . . . 20.0 110.09 -179.462 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.3 m -112.59 176.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.15 -0.932 . . . . 20.0 109.643 178.948 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t 70.17 171.87 0.31 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.707 0.629 . . . . 20.0 110.285 -179.898 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -96.28 151.75 19.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.142 -0.481 . . . . 20.0 110.236 -178.202 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -87.41 49.51 1.83 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.304 0.573 . . . . 20.0 110.117 -179.368 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -151.17 142.94 23.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.102 -0.954 . . . . 20.0 109.075 -178.207 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.9 p 54.21 178.05 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.923 0.765 . . . . 20.0 111.989 -175.436 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt 64.54 77.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.605 0.717 . . . . 20.0 109.673 -177.358 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -60.1 -31.81 70.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.375 -0.829 . . . . 20.0 111.746 -173.051 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.85 -44.54 96.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 20.0 110.92 -178.036 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.77 -33.81 46.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.888 0.375 . . . . 20.0 110.479 -179.666 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -67.94 -20.57 65.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 20.0 111.032 179.332 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -65.01 -34.61 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 20.0 110.648 177.1 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -78.04 -38.07 45.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.729 -0.471 . . . . 20.0 109.729 178.049 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.18 -40.94 95.8 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.967 -0.56 . . . . 20.0 109.868 175.267 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.52 -47.52 83.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.8 -0.636 . . . . 20.0 110.414 178.035 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -62.83 -42.33 99.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.608 -0.724 . . . . 20.0 111.034 -179.096 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -73.67 -37.04 65.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 20.0 110.528 -178.587 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -68.28 -32.07 71.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.981 -0.554 . . . . 20.0 110.297 179.016 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.29 -24.63 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.599 . . . . 20.0 111.414 -179.504 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -67.56 -32.11 72.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 20.0 110.255 178.527 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -90.45 -51.9 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.205 -0.452 . . . . 20.0 110.364 177.72 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.25 76.8 1.47 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.989 -0.551 . . . . 20.0 110.108 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.8 m -76.95 89.67 3.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.676 -177.913 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 m -99.8 -20.04 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.925 -0.58 . . . . 20.0 110.663 179.882 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.2 tp -153.51 100.23 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.954 -0.566 . . . . 20.0 110.185 179.535 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.85 154.56 38.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.152 -0.477 . . . . 20.0 110.332 177.784 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -91.26 132.14 34.75 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.035 -0.529 . . . . 20.0 109.708 176.929 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.87 114.36 1.92 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.94 2.427 . . . . 20.0 112.196 -177.531 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -65.36 146.37 98.96 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.49 -0.777 . . . . 20.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.56 65.22 3.79 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.776 2.317 . . . . 20.0 112.58 -177.066 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.92 144.9 31.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.579 -0.737 . . . . 20.0 110.154 178.572 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.3 mt -84.63 120.95 74.67 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 116.168 -0.469 . . . . 20.0 109.799 179.411 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -64.19 126.48 17.2 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.501 2.134 . . . . 20.0 111.551 -179.785 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -65.23 -16.01 63.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.618 -175.478 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.27 -43.49 78.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.015 0.436 . . . . 20.0 110.547 178.023 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -69.24 -34.84 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 20.0 110.645 -176.908 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.84 -49.55 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.68 . . . . 20.0 110.662 -178.775 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.91 -48.72 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.72 -0.673 . . . . 20.0 110.965 -179.323 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 40.5 ttm180 -58.05 -38.93 77.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.975 0.417 . . . . 20.0 111.003 -179.677 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -70.07 -48.37 58.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.981 -0.554 . . . . 20.0 111.169 -178.719 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.7 mtt -80.23 -48.88 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.18 0.437 . . . . 20.0 112.18 -173.504 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -56.17 14.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.54 0.57 . . . . 20.0 112.54 -171.323 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' OE2' ' HG3' ' A' ' 47' ' ' ARG . 37.7 mt-10 -60.45 -36.3 77.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.903 0.334 . . . . 20.0 111.903 -174.093 . . . . . . . . 2 2 . 1 . 046 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -78.59 -35.12 46.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.771 0.32 . . . . 20.0 110.829 -179.394 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -75.32 -22.92 57.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.924 0.393 . . . . 20.0 110.195 -179.243 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.17 87.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.612 176.321 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -75.52 -16.8 60.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.947 -0.569 . . . . 20.0 110.158 179.063 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.5 mtt -87.71 -10.91 49.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.74 -0.664 . . . . 20.0 110.518 177.281 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -86.07 -33.14 21.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.118 -0.492 . . . . 20.0 109.725 174.904 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt 58.28 -94.72 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.002 -0.999 . . . . 20.0 111.796 177.967 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -96.09 -12.82 24.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 20.0 110.619 -179.44 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -81.6 3.71 24.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 20.0 110.983 -177.542 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.2 p -79.59 -30.89 41.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.922 0.391 . . . . 20.0 110.799 178.973 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -82.96 136.59 34.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.346 -177.337 . . . . . . . . 1 1 . 1 . 046 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.428 -0.796 . . . . 20.0 109.799 179.938 . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 49.8 tpp . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.403 -0.221 . . . . 20.0 110.403 . . . . . . . . . 0 0 . 1 . 047 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 36.1 t70 64.4 94.89 0.05 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.637 0.586 . . . . 20.0 111.116 179.563 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 65.79 84.58 0.15 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.39 -0.823 . . . . 20.0 111.474 -179.716 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.91 53.97 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.617 -0.72 . . . . 20.0 109.677 179.414 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -132.33 72.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.536 . . . . 20.0 110.6 -177.083 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -67.5 -40.93 85.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.37 0.605 . . . . 20.0 110.609 178.867 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 17.6 t70 63.62 27.32 14.87 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.528 -1.215 . . . . 20.0 111.308 176.459 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -74.78 -42.65 57.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.19 0.519 . . . . 20.0 109.796 176.852 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -88.43 0.25 56.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.598 -0.728 . . . . 20.0 109.102 175.201 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 72.98 133.45 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 114.493 -1.23 . . . . 20.0 111.059 178.832 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -80.05 54.59 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.191 -0.459 . . . . 20.0 111.987 -175.04 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.94 31.99 17.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.276 0.56 . . . . 20.0 111.599 178.029 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.6 mt -95.81 -5.77 41.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.954 -0.567 . . . . 20.0 109.945 -179.573 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 p -132.29 97.76 17.68 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.484 179.75 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.06 8.4 3.21 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.811 2.341 . . . . 20.0 112.313 -178.784 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.8 ptm -153.22 140.93 20.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.803 -0.635 . . . . 20.0 109.301 176.717 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 p -73.72 116.61 16.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.217 0.532 . . . . 20.0 110.154 178.951 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -68.96 124.48 23.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.668 -0.696 . . . . 20.0 111.369 -175.918 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 59.61 68.35 0.8 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.66 -0.7 . . . . 20.0 111.613 174.599 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -122.72 72.22 1.07 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.656 -0.702 . . . . 20.0 109.65 178.287 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.97 -169.66 1.73 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.607 -0.724 . . . . 20.0 110.106 -179.833 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 t -145.02 91.88 2.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.836 0.827 . . . . 20.0 110.074 176.757 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 pt -75.12 176.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.516 -0.765 . . . . 20.0 111.315 -179.26 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 9.5 pt-20 -51.39 -41.56 60.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.933 0.397 . . . . 20.0 111.499 -179.454 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 82.8 mm-40 -66.92 -30.37 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.712 -178.447 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HA ' ' CD2' ' A' ' 21' ' ' TYR . 45.9 mt-10 -81.4 -35.13 31.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 20.0 109.962 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.09 -34.44 76.32 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.394 -0.595 . . . . 20.0 109.394 172.644 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.3 m -71.04 -20.74 62.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.667 -0.697 . . . . 20.0 111.155 179.76 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.661 ' CD2' ' HA ' ' A' ' 18' ' ' GLU . 15.6 m-85 -68.03 -23.14 64.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.874 0.368 . . . . 20.0 110.372 177.295 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -67.69 -18.06 64.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.19 -30.42 71.48 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.041 0.448 . . . . 20.0 110.382 175.507 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -70.66 -33.75 71.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.993 -0.549 . . . . 20.0 110.05 177.959 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mp -78.49 -33.84 47.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 20.0 109.985 177.643 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' HA ' HG12 ' A' ' 29' ' ' VAL . 77.7 ttt180 -49.91 -41.45 46.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.177 -0.92 . . . . 20.0 111.88 -179.044 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.05 77.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.886 -177.411 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -92.46 -34.09 14.25 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.339 0.496 . . . . 20.0 112.339 -178.266 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 26' ' ' ARG . 6.4 p -86.17 -22.62 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.015 0.376 . . . . 20.0 112.015 -173.372 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.0 157.96 21.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.524 0.202 . . . . 20.0 110.485 -177.966 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 t -174.14 157.57 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.714 0.292 . . . . 20.0 110.368 -179.111 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 t -95.62 11.55 32.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.452 0.644 . . . . 20.0 109.733 178.422 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.8 mt -104.61 37.34 2.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.365 -0.834 . . . . 20.0 110.099 179.285 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.14 130.99 55.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.899 -179.389 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 3.4 m-20 -81.24 137.74 48.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.255 -0.43 . . . . 20.0 110.436 179.219 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 36.6 Cg_exo -59.91 135.57 64.1 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.846 2.364 . . . . 20.0 112.025 177.288 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.518 ' O ' HG23 ' A' ' 40' ' ' ILE . 4.9 mpt_? -80.91 144.84 56.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.013 -0.539 . . . . 20.0 110.058 -178.979 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.43 144.45 99.41 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.474 2.116 . . . . 20.0 111.573 176.255 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 62.12 60.46 1.48 Allowed 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.761 0.663 . . . . 20.0 111.733 179.937 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 37' ' ' ARG . 5.2 pt -91.15 136.67 26.99 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.181 174.829 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.415 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.8 Cg_endo -63.27 148.61 92.83 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.666 2.244 . . . . 20.0 111.901 179.684 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.509 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 36.1 m-70 -59.09 -29.77 67.6 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.306 -0.861 . . . . 20.0 111.973 -173.38 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -77.77 -30.16 51.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 20.0 110.548 -178.875 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' HG3' ' HE ' ' A' ' 47' ' ' ARG . 22.6 tt0 -73.88 -35.45 64.7 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.831 -0.433 . . . . 20.0 109.831 176.248 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 41' ' ' PRO . 80.0 t -57.79 -40.36 75.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.097 -0.501 . . . . 20.0 110.481 177.074 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 35.4 mt-10 -60.37 -54.34 46.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.177 179.755 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HE ' ' HG3' ' A' ' 44' ' ' GLU . 40.6 ptt180 -68.16 -30.21 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.398 . . . . 20.0 110.859 -177.712 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -79.2 -27.19 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.565 -178.028 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 48.2 ttm -64.07 -37.03 85.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 20.0 110.516 -179.031 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.81 79.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.314 0.578 . . . . 20.0 110.373 176.638 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.17 -21.31 46.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.836 . . . . 20.0 110.412 179.624 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -33.01 60.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.709 174.683 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -71.77 -26.43 62.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.87 -0.605 . . . . 20.0 109.908 176.705 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.8 -24.4 65.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.707 -0.679 . . . . 20.0 110.782 176.254 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -63.44 -32.21 73.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.864 -0.607 . . . . 20.0 110.28 176.828 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.7 ttt -64.17 -29.22 70.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.776 -0.647 . . . . 20.0 110.66 179.335 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG2' ' HG2' ' A' ' 59' ' ' GLU . 44.8 ttm180 -74.51 -21.12 59.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.39 -179.844 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 68.27 7.91 6.24 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.464 -0.789 . . . . 20.0 112.245 176.446 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 57' ' ' ARG . 7.4 mm-40 -94.54 89.14 5.7 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.448 -0.575 . . . . 20.0 109.448 177.86 . . . . . . . . 2 2 . 1 . 047 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -80.65 -59.6 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.193 0.52 . . . . 20.0 109.856 -176.7 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 t -151.31 27.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.459 -0.792 . . . . 20.0 109.531 -178.54 . . . . . . . . 1 1 . 1 . 047 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 63' ' ' GLN . 0.5 OUTLIER -106.12 131.16 53.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.628 -0.715 . . . . 20.0 109.497 -178.326 . . . . . . . . 3 3 . 1 . 047 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 83.8 mm-40 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.747 -0.644 . . . . 20.0 110.23 179.574 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.173 -0.306 . . . . 20.0 110.173 . . . . . . . . . 0 0 . 1 . 048 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 66.38 32.7 7.45 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.63 0.581 . . . . 20.0 110.761 179.023 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -90.04 6.76 40.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.168 0.509 . . . . 20.0 110.809 179.571 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -96.32 -70.65 0.71 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.029 -0.73 . . . . 20.0 109.029 174.751 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -154.87 163.97 39.52 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.942 -0.762 . . . . 20.0 108.942 175.053 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.2 -43.38 86.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.09 0.472 . . . . 20.0 110.057 177.72 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -134.42 137.26 43.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.54 -0.755 . . . . 20.0 109.758 178.775 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.11 -31.92 73.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 20.0 111.084 -177.691 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 2' ' ' ASN . 27.2 mtpp -93.92 -1.72 54.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.037 -0.529 . . . . 20.0 110.972 177.116 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 2' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 14.8 m120 69.25 -66.66 0.25 Allowed 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.842 0.714 . . . . 20.0 110.887 -175.153 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.8 mtp180 -94.11 76.6 4.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.201 0.524 . . . . 20.0 110.225 178.25 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.47 91.11 4.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 20.0 110.191 178.642 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mp -104.99 108.11 19.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.401 -0.363 . . . . 20.0 110.718 -177.797 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -78.84 126.41 82.39 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.145 -0.479 . . . . 20.0 110.138 178.373 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -54.63 107.9 0.26 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.859 2.372 . . . . 20.0 112.162 178.211 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.1 mtt -74.49 137.47 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.176 -0.465 . . . . 20.0 110.9 -176.119 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.08 50.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.841 0.829 . . . . 20.0 111.577 -177.61 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.2 t -158.6 140.6 13.86 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.179 -0.919 . . . . 20.0 108.963 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.64 155.07 43.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.187 -0.301 . . . . 20.0 110.187 -178.426 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -105.8 78.95 1.38 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.358 0.599 . . . . 20.0 110.612 178.85 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -89.98 128.06 36.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.938 -0.574 . . . . 20.0 111.105 -177.34 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p 46.1 70.2 0.4 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.811 0.694 . . . . 20.0 112.451 179.574 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 tp -68.74 148.16 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.207 0.527 . . . . 20.0 110.354 178.863 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 42.3 mt-10 -75.57 -7.47 54.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.913 -0.585 . . . . 20.0 112.204 -175.32 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -54.52 -46.35 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.75 -0.204 . . . . 20.0 111.032 179.176 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.7 -28.62 65.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.941 0.4 . . . . 20.0 110.642 178.621 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.417 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 12.3 m120 -68.76 -34.62 75.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.483 -0.562 . . . . 20.0 109.483 178.93 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.6 m -79.54 -21.65 44.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.449 178.185 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -74.15 -45.92 45.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.955 -177.623 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -69.0 -30.47 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.68 -0.408 . . . . 20.0 110.317 -179.171 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.97 -37.85 87.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.179 0.514 . . . . 20.0 109.82 175.185 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -64.24 -39.92 94.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.634 -0.712 . . . . 20.0 110.221 176.763 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.3 -38.32 90.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.097 0.475 . . . . 20.0 110.144 177.459 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -58.81 -43.38 90.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.619 -0.719 . . . . 20.0 110.748 175.906 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.27 72.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 20.0 111.05 179.829 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -68.5 -46.05 70.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.867 178.588 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.28 -67.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.605 -177.117 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -167.93 127.32 1.29 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.025 0.44 . . . . 20.0 111.765 -175.099 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.9 m -88.86 -27.86 20.75 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.567 0.698 . . . . 20.0 109.204 173.568 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 m -136.73 135.49 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.254 -0.884 . . . . 20.0 109.189 175.341 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 33' ' ' LEU . 3.0 mm? -92.68 74.97 5.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.783 -0.189 . . . . 20.0 110.694 -175.152 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 50.27 64.64 1.71 Allowed 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.728 0.642 . . . . 20.0 111.081 179.236 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -112.02 102.26 53.42 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.82 -0.627 . . . . 20.0 110.868 -175.553 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -90.11 16.7 1.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.033 2.489 . . . . 20.0 112.329 177.437 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -78.15 137.37 60.85 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.293 -177.893 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.72 108.18 1.61 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.275 1.983 . . . . 20.0 111.679 175.272 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.67 130.84 42.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.21 -0.45 . . . . 20.0 111.204 -176.992 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.437 ' H ' HG13 ' A' ' 40' ' ' ILE . 1.2 pp -73.51 121.02 84.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.035 0.445 . . . . 20.0 111.081 178.311 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.73 144.54 53.53 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.969 2.446 . . . . 20.0 112.722 179.196 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -91.34 2.65 56.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.271 0.558 . . . . 20.0 109.953 175.332 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -51.14 -45.2 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.886 -1.052 . . . . 20.0 112.949 -174.071 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -23.09 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.733 -0.387 . . . . 20.0 110.544 -177.051 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 49' ' ' MET . 99.2 t -62.0 -37.06 77.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.47 -0.567 . . . . 20.0 109.47 173.283 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.01 -38.39 73.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.253 -0.885 . . . . 20.0 110.279 174.669 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -74.6 -38.56 62.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.814 -0.63 . . . . 20.0 109.972 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -58.3 -41.65 84.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.576 . . . . 20.0 110.218 175.029 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.0 mmt -70.25 -31.87 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.711 -0.677 . . . . 20.0 110.751 178.01 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.02 -43.06 88.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.543 177.389 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.97 -33.98 74.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.826 -0.624 . . . . 20.0 110.059 177.354 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -63.7 -39.88 95.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.53 -0.759 . . . . 20.0 110.112 176.754 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -68.02 -36.04 79.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.144 176.696 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.16 76.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.006 179.106 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -69.67 -23.76 63.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.74 178.466 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 97.0 mmm -85.98 -22.0 27.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.152 0.501 . . . . 20.0 110.379 178.738 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -76.96 -13.4 59.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.628 -0.714 . . . . 20.0 110.152 177.818 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -65.05 110.21 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.947 -0.57 . . . . 20.0 111.171 -179.225 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -93.89 89.22 6.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.815 -0.629 . . . . 20.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -94.47 6.72 47.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.486 0.66 . . . . 20.0 109.844 177.457 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -140.45 144.64 36.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.149 -0.932 . . . . 20.0 108.539 176.066 . . . . . . . . 1 1 . 1 . 048 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 80.46 3.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.426 0.632 . . . . 20.0 111.234 -177.417 . . . . . . . . 2 2 . 1 . 048 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.157 -0.925 . . . . 20.0 110.65 179.125 . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.792 0.329 . . . . 20.0 110.806 . . . . . . . . . 0 0 . 1 . 049 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -94.66 -18.65 21.13 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.974 0.416 . . . . 20.0 111.218 -178.352 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -105.63 126.29 51.97 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.533 -175.691 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' -4' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -151.89 165.48 34.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.944 -0.571 . . . . 20.0 109.625 179.537 . . . . . . . . 3 3 . 1 . 049 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -125.98 57.25 1.38 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.131 0.491 . . . . 20.0 110.519 -179.569 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.48 -67.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.502 -0.772 . . . . 20.0 110.088 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 5.5 t70 49.31 86.41 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.294 -0.866 . . . . 20.0 111.455 -179.672 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.97 -33.43 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 20.0 112.094 -177.951 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -81.14 -6.99 59.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.922 0.392 . . . . 20.0 110.642 -175.385 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 62.75 26.71 15.76 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.433 -0.803 . . . . 20.0 111.343 176.575 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 50.78 43.65 28.13 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.836 -0.62 . . . . 20.0 111.887 -178.746 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.84 66.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.42 -0.355 . . . . 20.0 110.763 179.073 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.3 tp 51.16 56.96 7.17 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.76 0.791 . . . . 20.0 110.517 -178.954 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -135.89 79.19 46.08 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.567 -0.742 . . . . 20.0 110.61 -179.1 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -72.66 -72.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.414 2.076 . . . . 20.0 110.983 177.848 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 tpp -106.5 -32.99 7.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.174 -0.676 . . . . 20.0 109.174 175.986 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.81 146.42 17.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.22 -0.9 . . . . 20.0 109.322 178.559 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.5 t -83.27 79.62 9.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.208 0.528 . . . . 20.0 110.104 -177.826 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -105.75 128.89 53.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.815 -0.63 . . . . 20.0 111.303 -179.163 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -119.4 86.25 2.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.375 -0.83 . . . . 20.0 109.976 178.03 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.3 -34.22 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.224 -0.444 . . . . 20.0 110.502 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -91.74 93.26 8.8 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.12 -0.491 . . . . 20.0 111.158 -179.006 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.4 mt -56.44 -37.7 52.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.763 -0.653 . . . . 20.0 110.857 178.748 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.11 -37.7 80.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.589 -0.732 . . . . 20.0 111.003 179.733 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -83.69 -30.48 26.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 20.0 110.262 179.63 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.83 -26.52 68.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.067 176.467 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -61.03 -31.53 71.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.63 178.397 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -71.01 -30.92 67.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.066 0.46 . . . . 20.0 110.451 178.273 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 65.9 m-85 -73.7 -38.22 64.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.34 0.591 . . . . 20.0 109.625 176.264 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -69.88 -21.89 63.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.52 -0.764 . . . . 20.0 110.591 176.861 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -66.03 -39.52 90.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 20.0 109.878 178.027 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.515 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 9.0 m0 -73.26 -27.26 61.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.108 0.48 . . . . 20.0 110.093 177.466 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.8 mt -72.63 -10.59 59.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 20.0 110.881 178.066 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -66.75 -40.12 88.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 20.0 110.435 174.373 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.46 -34.3 20.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.45 0.643 . . . . 20.0 110.456 179.356 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -82.72 3.81 27.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.234 -0.894 . . . . 20.0 111.342 -179.219 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p -51.97 -27.91 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 112.355 0.502 . . . . 20.0 112.355 -176.147 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.57 62.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.156 0.503 . . . . 20.0 111.159 -178.97 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.472 HG22 ' CD1' ' A' ' 33' ' ' LEU . 4.4 m -123.68 74.31 1.26 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.84 -0.618 . . . . 20.0 109.336 -179.387 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.8 m -86.32 92.34 8.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.445 . . . . 20.0 111.953 -173.794 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' HG22 ' A' ' 31' ' ' THR . 8.4 mp -90.06 -33.85 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.309 -0.626 . . . . 20.0 109.309 171.433 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.72 69.65 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.912 -0.585 . . . . 20.0 109.986 177.829 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -73.95 143.27 80.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.789 -0.641 . . . . 20.0 110.775 -177.284 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -86.5 32.07 0.45 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 123.061 2.507 . . . . 20.0 112.804 179.894 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 60.17 75.32 0.49 Allowed Pre-proline 0 N--CA 1.465 0.323 0 CA-C-N 115.692 -0.685 . . . . 20.0 111.327 179.14 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.46 142.43 44.83 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.523 2.148 . . . . 20.0 111.967 -179.464 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 52.87 64.01 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.688 178.503 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 pt -73.85 135.14 77.72 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.435 177.695 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.66 146.78 42.5 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.154 2.569 . . . . 20.0 111.839 179.978 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -62.77 -25.9 68.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.749 -0.659 . . . . 20.0 110.915 -173.029 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 15.6 t70 -70.48 -39.43 74.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 20.0 110.36 176.557 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.517 ' HG3' ' NH1' ' A' ' 48' ' ' ARG . 32.5 tt0 -72.47 -35.71 68.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.083 -179.633 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.6 t -60.51 -45.79 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.132 175.206 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.76 -27.83 69.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.361 -0.836 . . . . 20.0 111.389 -178.033 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 62.3 mtt-85 -84.83 -53.35 5.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.549 -0.296 . . . . 20.0 111.205 178.751 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.517 ' NH1' ' HG3' ' A' ' 44' ' ' GLU . 7.2 mpt_? -87.41 -59.58 2.21 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.339 0.496 . . . . 20.0 112.339 -173.01 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 62.6 mtp -69.32 -19.91 63.88 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.329 0.492 . . . . 20.0 112.329 -172.297 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.14 78.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.968 0.414 . . . . 20.0 110.929 177.368 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -67.94 -29.7 68.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.662 -179.339 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 56' ' ' MET . 36.4 mtp180 -79.12 -33.08 44.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.775 -179.785 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -66.35 -37.95 86.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 20.0 109.806 177.833 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.67 -28.07 68.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.089 174.93 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -79.1 -26.82 42.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.481 -0.781 . . . . 20.0 110.302 178.295 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' A' ' 52' ' ' ARG . 68.0 mtt -63.46 -17.49 62.77 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.857 179.059 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -57.92 -35.43 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.362 0.601 . . . . 20.0 109.769 175.992 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -164.73 78.29 0.34 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.483 -0.932 . . . . 20.0 108.483 179.031 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.9 -11.36 20.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.024 0.44 . . . . 20.0 110.52 -177.825 . . . . . . . . 2 2 . 1 . 049 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 59.04 34.5 23.52 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.067 -0.969 . . . . 20.0 110.472 178.699 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 t -148.98 147.51 28.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.254 -0.43 . . . . 20.0 109.864 -178.697 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -94.24 84.74 4.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.343 -0.389 . . . . 20.0 110.579 -176.136 . . . . . . . . 1 1 . 1 . 049 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.107 -0.949 . . . . 20.0 110.909 -178.094 . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.774 0.321 . . . . 20.0 111.056 . . . . . . . . . 0 0 . 1 . 050 nuclear build full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -98.5 -175.55 3.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.731 -0.213 . . . . 20.0 110.469 179.367 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' -5' ' ' TYR . . . . . 0.515 ' CD1' ' HA ' ' A' ' 7' ' ' PRO . 82.3 t80 -60.78 135.59 57.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.455 -0.338 . . . . 20.0 110.806 -178.515 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 82.9 tttt 57.32 46.62 18.15 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.904 0.859 . . . . 20.0 109.615 -177.998 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -160.89 -47.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.836 -1.074 . . . . 20.0 110.024 179.85 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -63.04 -69.75 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.12 -2.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.29 0.848 . . . . 20.0 113.29 174.45 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -91.57 -67.06 0.88 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.057 0.456 . . . . 20.0 109.828 177.019 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -93.27 -25.73 17.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.019 -0.537 . . . . 20.0 109.948 178.423 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -111.54 96.05 5.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.997 -0.547 . . . . 20.0 109.975 178.238 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -104.92 70.12 0.9 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.257 -0.429 . . . . 20.0 110.289 -178.982 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.27 -167.61 0.18 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.576 -0.738 . . . . 20.0 111.387 179.64 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 mp 65.44 5.49 3.21 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.947 178.136 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 t -171.85 100.25 0.38 Allowed Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 120.713 0.292 . . . . 20.0 110.851 -176.873 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.515 ' HA ' ' CD1' ' A' ' -5' ' ' TYR . 17.1 Cg_exo -67.7 -51.43 0.68 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.353 2.035 . . . . 20.0 110.689 172.141 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.4 tpp -154.25 51.15 0.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.772 0.796 . . . . 20.0 109.544 176.366 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.87 95.38 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.538 -0.755 . . . . 20.0 110.004 179.646 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 m 63.81 28.52 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.773 -0.649 . . . . 20.0 111.427 179.205 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -90.89 92.9 8.98 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.459 -0.571 . . . . 20.0 109.459 177.502 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -99.54 98.49 9.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.985 0.421 . . . . 20.0 111.311 -175.351 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.45 174.53 9.78 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.12 -0.696 . . . . 20.0 109.12 176.882 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' A' ' 17' ' ' GLN . 18.1 p 44.63 61.49 2.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.273 0.559 . . . . 20.0 111.254 -176.453 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.31 -38.42 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.647 -0.706 . . . . 20.0 111.601 -172.841 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -67.19 -43.24 82.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.055 179.662 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 35.2 tt0 -66.45 -37.04 84.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.668 -0.697 . . . . 20.0 110.836 -179.581 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.58 -44.85 95.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.41 -178.311 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -72.76 -42.28 64.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.154 -0.475 . . . . 20.0 111.22 -178.295 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 p -65.42 -33.81 76.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.013 0.435 . . . . 20.0 110.977 -178.484 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -72.95 -38.62 66.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.273 -0.422 . . . . 20.0 110.46 179.266 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -64.19 -33.56 76.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.362 -0.381 . . . . 20.0 110.819 178.22 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.03 -38.95 93.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.344 -0.389 . . . . 20.0 110.577 176.282 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -70.91 -37.74 72.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.319 -0.4 . . . . 20.0 110.513 177.526 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.4 tp -56.94 -42.12 79.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.038 0.447 . . . . 20.0 110.289 178.031 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -70.29 -27.34 64.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.877 -0.601 . . . . 20.0 111.125 178.958 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.47 -32.53 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.042 -179.137 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -74.12 -39.88 63.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.731 -179.137 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 p -71.7 -7.4 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 121.546 0.689 . . . . 20.0 110.699 -179.274 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.7 43.21 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.583 -0.735 . . . . 20.0 109.894 177.53 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 t -83.91 -12.33 55.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.265 -176.07 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.1 t -139.82 154.05 47.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.156 -177.306 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.6 51.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.248 -0.649 . . . . 20.0 109.248 177.949 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.13 58.34 3.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.464 -0.789 . . . . 20.0 109.95 178.248 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -102.68 119.98 54.2 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.329 -0.851 . . . . 20.0 110.662 -175.234 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -93.65 20.35 0.71 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.09 2.527 . . . . 20.0 113.123 179.799 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -89.91 137.71 28.13 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.719 0.295 . . . . 20.0 110.958 -177.024 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.6 97.73 0.55 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.669 2.246 . . . . 20.0 111.492 173.941 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 65.32 105.35 0.04 OUTLIER 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.668 -0.696 . . . . 20.0 111.855 -179.775 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.2 126.79 92.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.358 -0.608 . . . . 20.0 109.358 174.847 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -50.21 117.46 3.17 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.522 2.148 . . . . 20.0 111.889 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 44.2 m80 -91.91 -19.51 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.092 -0.504 . . . . 20.0 110.947 -176.519 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.17 -37.48 80.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.537 -177.216 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.81 -13.0 60.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.814 0.34 . . . . 20.0 110.847 179.242 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.0 t -91.11 -48.11 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.015 0.436 . . . . 20.0 110.405 176.191 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 31.4 mm-40 -54.27 -37.23 64.48 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.522 -0.763 . . . . 20.0 111.353 -178.721 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -59.14 -33.23 70.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.023 -0.535 . . . . 20.0 111.164 -179.545 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 45.0 mtp180 -82.41 -43.11 17.73 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.998 -0.371 . . . . 20.0 109.998 -178.809 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 59.9 mtt -61.29 -28.45 69.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.944 -0.571 . . . . 20.0 111.108 -179.384 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -54.94 -45.68 74.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 20.0 111.085 177.572 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -78.77 -22.46 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.565 -179.509 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.526 ' O ' ' HG2' ' A' ' 56' ' ' MET . 25.5 mmm180 -79.59 -19.86 48.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.904 -178.106 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 50' ' ' ALA . 13.3 m-85 -57.91 -31.02 66.37 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.654 -0.248 . . . . 20.0 111.556 -179.871 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.0 96.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.149 0.499 . . . . 20.0 110.598 177.601 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -77.66 -19.89 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.492 -179.003 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 56' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 25.8 mmt -70.4 -19.0 63.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.937 -0.574 . . . . 20.0 110.811 179.83 . . . . . . . . 2 2 . 1 . 050 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -64.78 -29.36 70.33 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.641 -0.503 . . . . 20.0 109.641 173.621 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -81.27 154.58 26.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.403 -0.817 . . . . 20.0 108.894 175.257 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -88.89 51.16 2.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.339 0.59 . . . . 20.0 110.539 -177.348 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -160.57 140.63 11.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.186 -0.916 . . . . 20.0 109.022 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.0 t -142.84 176.93 8.69 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.258 -0.275 . . . . 20.0 110.258 -178.656 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -157.2 121.72 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 20.0 109.785 -178.723 . . . . . . . . 1 1 . 1 . 050 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.55 -0.738 . . . . 20.0 109.983 178.705 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 112.076 0.399 . . . . 20.0 112.076 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -63.34 -45.62 90.36 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.001 -0.28 . . . . 20.0 110.731 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -61.76 -41.23 97.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.386 -0.37 . . . . 20.0 110.427 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -60.42 -45.03 95.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.14 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.8 t -59.82 -42.58 93.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.413 -0.358 . . . . 20.0 110.628 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -66.07 -41.09 91.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.486 -0.324 . . . . 20.0 110.955 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -49.54 53.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 20.0 111.066 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -47.67 80.72 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.696 0.284 . . . . 20.0 111.45 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -68.76 -43.23 76.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.117 -0.492 . . . . 20.0 111.024 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.28 -45.56 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.685 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HA ' HG12 ' A' ' 29' ' ' VAL . 36.0 ttp-105 -62.68 -33.63 75.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 20.0 111.127 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.8 63.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.103 0.478 . . . . 20.0 110.656 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -76.29 -37.27 57.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.762 -0.654 . . . . 20.0 111.06 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 26' ' ' ARG . 4.9 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 121.005 0.431 . . . . 20.0 110.853 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.4 p80 . . . . . 0 CA--C 1.535 0.378 0 N-CA-C 112.136 0.421 . . . . 20.0 112.136 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.75 -69.88 0.78 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.704 0.631 . . . . 20.0 112.704 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.4 mm-40 -85.99 -31.51 22.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.971 -0.558 . . . . 20.0 111.433 -170.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 36.8 t -74.87 -34.35 32.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.452 -0.499 . . . . 20.0 109.77 178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -68.01 -39.1 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.662 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 14.4 ptm180 -67.62 -23.23 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.779 0.323 . . . . 20.0 110.206 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 99.7 mtt180 -78.54 -43.04 27.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.206 -0.452 . . . . 20.0 109.931 176.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -34.81 78.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.322 174.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.28 72.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.648 -0.705 . . . . 20.0 111.089 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.53 -41.1 93.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.2 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -65.66 -48.02 73.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.684 . . . . 20.0 110.589 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -64.1 -32.89 74.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.799 0.333 . . . . 20.0 110.774 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.81 72.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 20.0 111.311 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -17.61 59.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 20.0 110.957 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.3 ttt -79.31 -17.51 54.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 20.0 109.858 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 57' ' ' ARG . 45.7 ttp180 . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.599 -0.728 . . . . 20.0 109.791 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 120.969 0.414 . . . . 20.0 110.279 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.613 ' O ' ' HB2' ' A' ' 21' ' ' TYR . 25.9 mp0 -62.3 -28.65 69.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 20.0 110.434 176.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -79.93 -43.43 22.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.991 -0.55 . . . . 20.0 110.159 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.34 -45.72 80.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 20.0 110.527 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 m -81.24 -12.83 59.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 20.0 111.209 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.613 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 35.9 t80 -73.31 -17.1 61.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.57 -0.286 . . . . 20.0 110.93 -176.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 53.4 m-80 -54.44 -31.69 55.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 20.0 110.731 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.08 -35.83 82.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 20.0 111.058 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -76.01 -31.08 58.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.928 0.394 . . . . 20.0 110.375 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.22 -36.91 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.977 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 29.7 mmm180 -63.68 -35.36 80.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.626 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.43 -21.33 42.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.224 -0.444 . . . . 20.0 111.243 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -71.21 -14.23 62.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.024 -0.535 . . . . 20.0 111.378 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.0 p . . . . . 0 C--O 1.234 0.265 0 CA-C-N 116.691 -0.231 . . . . 20.0 111.204 -179.692 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 . . . . . 0 N--CA 1.462 0.152 0 N-CA-C 111.796 0.295 . . . . 20.0 111.796 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.44 -38.07 86.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 20.0 110.331 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -68.72 -43.68 75.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.012 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.25 -42.73 94.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 20.0 110.544 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.48 -42.57 98.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.986 -0.552 . . . . 20.0 110.576 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -67.16 -41.34 86.18 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 120.865 -0.334 . . . . 20.0 110.134 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -55.07 -46.11 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.994 -0.548 . . . . 20.0 110.131 -179.109 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.5 mmt -66.12 -39.54 89.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.203 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.02 97.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.106 0.479 . . . . 20.0 110.808 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -76.75 -29.21 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.57 -0.741 . . . . 20.0 110.299 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -75.93 -46.74 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.19 -0.913 . . . . 20.0 111.573 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -71.5 -9.88 58.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 20.0 111.466 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.08 67.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.457 -0.338 . . . . 20.0 110.764 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 mtmm -67.98 -19.57 64.96 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.131 -0.486 . . . . 20.0 111.147 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 42.5 ttm -67.77 -30.42 69.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.214 0.53 . . . . 20.0 109.863 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.607 -0.724 . . . . 20.0 109.985 177.382 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.557 0.218 . . . . 20.0 111.001 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.94 -45.54 94.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.421 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.6 tp10 -64.93 -43.15 93.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.67 -0.696 . . . . 20.0 110.265 -177.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -74.29 -15.15 60.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 20.0 111.326 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.8 m -90.2 -40.97 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.949 0.404 . . . . 20.0 110.067 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -73.4 -35.49 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.872 -0.603 . . . . 20.0 111.795 -174.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -62.66 -32.3 73.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.051 0.453 . . . . 20.0 109.969 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -67.03 -36.67 82.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -73.03 -35.52 66.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.78 -0.645 . . . . 20.0 109.975 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.98 -38.26 90.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.834 -0.621 . . . . 20.0 110.264 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.66 -35.5 67.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.465 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.45 73.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.992 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -63.95 -27.31 69.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.798 -0.637 . . . . 20.0 110.039 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.0 t . . . . . 0 C--N 1.325 -0.458 0 CA-C-N 115.804 -0.634 . . . . 20.0 110.531 177.144 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.2 m170 . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.983 0.421 . . . . 20.0 109.892 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.66 -25.01 67.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.606 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' OE1' ' HD2' ' A' ' 47' ' ' ARG . 8.2 tp10 -64.32 -35.83 82.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.171 0.51 . . . . 20.0 110.088 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.53 -43.91 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 20.0 110.399 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.2 -35.74 81.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 20.0 109.957 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HD2' ' OE1' ' A' ' 44' ' ' GLU . 44.2 ttm180 -64.29 -37.43 87.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.526 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 48' ' ' ARG . 7.1 tpt180 -71.21 -32.52 68.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.753 0.311 . . . . 20.0 110.501 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.4 mmt -70.38 -25.47 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.524 0.678 . . . . 20.0 109.776 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.27 -6.37 56.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.078 -0.965 . . . . 20.0 111.555 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.485 ' HA ' ' HB3' ' A' ' 54' ' ' ALA . 12.7 pt-20 -47.36 -32.78 5.18 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.508 0.559 . . . . 20.0 112.508 -174.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -58.92 -52.74 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 20.0 111.043 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -77.24 -25.05 51.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.394 0.616 . . . . 20.0 110.236 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -68.96 -15.2 63.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.45 -0.796 . . . . 20.0 111.485 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -63.47 -27.84 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.068 0.461 . . . . 20.0 109.84 175.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.5 mmt -90.9 10.56 25.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.578 -0.737 . . . . 20.0 111.759 -176.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 7.9 ptp85 . . . . . 0 N--CA 1.465 0.28 0 O-C-N 122.281 -0.262 . . . . 20.0 111.481 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 . . . . . 0 C--O 1.224 -0.266 0 CA-C-O 120.567 0.222 . . . . 20.0 110.697 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -56.48 -35.49 68.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 20.0 110.813 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -72.68 -34.77 67.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.135 0.493 . . . . 20.0 110.632 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.433 ' N ' HD22 ' A' ' 19' ' ' ASN . 0.9 OUTLIER -87.77 -25.7 23.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.884 -0.598 . . . . 20.0 111.061 -177.29 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.3 m -90.07 -11.59 40.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.417 -0.356 . . . . 20.0 111.257 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.39 -35.0 69.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.444 -0.343 . . . . 20.0 110.994 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.582 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 21.7 p30 -62.87 -27.91 69.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.491 -0.322 . . . . 20.0 111.272 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.485 ' OE1' ' HD3' ' A' ' 26' ' ' ARG . 7.8 tp10 -74.65 -40.28 61.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.143 0.497 . . . . 20.0 109.722 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -67.37 -26.71 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.248 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.2 tm? -71.0 -37.69 72.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.811 -0.632 . . . . 20.0 109.626 177.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 63.3 mtp180 -66.01 -19.02 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.058 0.456 . . . . 20.0 110.69 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.85 -14.19 62.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.722 -0.672 . . . . 20.0 111.462 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 57.2 pttt -76.36 -19.2 58.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.019 0.438 . . . . 20.0 110.138 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.437 0.637 . . . . 20.0 109.708 178.439 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.705 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 12.7 p-80 . . . . . 0 N--CA 1.454 -0.23 0 N-CA-C 110.162 -0.31 . . . . 20.0 110.162 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -60.73 -26.92 67.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.118 -0.492 . . . . 20.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.86 -36.08 79.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.722 -0.672 . . . . 20.0 110.138 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 t -91.29 -27.63 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.401 -0.818 . . . . 20.0 111.388 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.705 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 34.5 mm-40 -50.56 -34.55 26.1 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.04 -0.527 . . . . 20.0 112.198 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -57.08 -30.83 64.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 20.0 111.159 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -91.23 -39.98 11.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.168 0.508 . . . . 20.0 110.186 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.6 mmt -64.72 -40.56 95.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.775 -0.648 . . . . 20.0 111.381 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.26 -28.84 68.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.946 0.403 . . . . 20.0 111.164 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -80.41 -46.01 16.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.649 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 4.8 mmp_? -68.4 -45.49 72.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.068 -0.514 . . . . 20.0 111.156 -177.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.557 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 23.7 m-85 -72.36 -19.69 61.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.183 -0.462 . . . . 20.0 111.36 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.67 78.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.094 0.473 . . . . 20.0 110.479 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.88 -28.49 62.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.664 -0.698 . . . . 20.0 110.751 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 63.0 mtt -91.42 6.09 46.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.78 -0.646 . . . . 20.0 111.505 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 63.9 mtp180 . . . . . 0 C--N 1.327 -0.386 0 N-CA-C 112.04 0.385 . . . . 20.0 112.04 -177.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.256 0.55 . . . . 20.0 110.001 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -68.35 -40.48 81.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.55 -0.75 . . . . 20.0 110.217 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -69.63 -25.9 64.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.873 -0.603 . . . . 20.0 111.488 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -38.84 90.27 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.927 -0.309 . . . . 20.0 110.175 175.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.6 m -79.57 -33.27 41.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.06 0.457 . . . . 20.0 110.366 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -66.48 -34.93 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 20.0 109.775 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.08 -37.45 77.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.446 -0.797 . . . . 20.0 111.503 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.41 -40.77 96.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.132 0.491 . . . . 20.0 110.193 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -71.61 -34.75 70.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 20.0 109.934 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.406 HD11 ' HD3' ' A' ' 28' ' ' LYS . 25.0 tp -70.09 -11.71 61.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.441 -0.799 . . . . 20.0 111.094 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.545 ' O ' HG12 ' A' ' 29' ' ' VAL . 56.8 ttt180 -67.53 -18.09 64.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.108 0.48 . . . . 20.0 110.709 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.46 -23.33 50.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.17 0.51 . . . . 20.0 110.591 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HD3' HD11 ' A' ' 25' ' ' LEU . 56.8 tttm -76.53 -24.31 53.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.716 -0.675 . . . . 20.0 111.013 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 26' ' ' ARG . 9.9 p . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 121.35 0.595 . . . . 20.0 110.275 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.5 m80 . . . . . 0 C--O 1.232 0.174 0 N-CA-C 111.669 0.248 . . . . 20.0 111.669 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.665 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 15.0 t70 -62.65 -47.3 84.3 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.623 0.249 . . . . 20.0 110.836 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 17.6 tp10 -56.19 -46.39 79.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.87 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.11 -42.9 85.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.097 -0.501 . . . . 20.0 111.02 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -59.73 -39.95 86.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.681 . . . . 20.0 111.494 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 22.2 mmt180 -73.15 -29.95 63.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.794 0.33 . . . . 20.0 110.607 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 92.7 mtt180 -72.56 -42.66 64.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.051 0.453 . . . . 20.0 110.078 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 89.8 mmm -67.71 -27.7 67.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.777 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.89 -41.99 79.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 20.0 111.353 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.06 -28.5 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 20.0 110.621 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -75.94 -44.64 39.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.748 -0.66 . . . . 20.0 109.735 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -67.81 -23.3 65.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.489 -0.778 . . . . 20.0 110.88 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.54 71.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 20.0 111.09 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -84.49 -19.65 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.117 0.484 . . . . 20.0 110.568 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.2 mtp -76.21 -10.54 59.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.969 -0.559 . . . . 20.0 110.351 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.627 176.517 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 . . . . . 0 CA--C 1.528 0.101 0 N-CA-C 112.265 0.468 . . . . 20.0 112.265 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -68.96 -28.1 66.32 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.729 -0.388 . . . . 20.0 110.819 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -70.65 -43.09 69.89 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.086 -0.709 . . . . 20.0 109.086 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.45 -24.85 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 20.0 110.061 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 m -71.44 -27.43 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.824 -0.625 . . . . 20.0 110.401 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -77.66 -23.29 49.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.536 -0.302 . . . . 20.0 110.654 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.43 -36.67 83.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.552 0.692 . . . . 20.0 109.382 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.7 -41.5 83.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.995 -1.002 . . . . 20.0 110.437 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.479 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 92.0 m95 -68.72 -30.84 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.702 176.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 28' ' ' LYS . 51.0 tp -65.65 -43.32 89.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.367 -0.378 . . . . 20.0 110.229 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -70.56 -25.84 63.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.949 0.404 . . . . 20.0 110.461 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.62 -16.65 60.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 20.0 111.1 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 67.3 mttm -69.36 -10.61 58.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 20.0 111.255 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-O 121.158 0.504 . . . . 20.0 110.426 176.44 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.634 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 62.8 m170 . . . . . 0 CA--C 1.518 -0.264 0 N-CA-C 110.356 -0.238 . . . . 20.0 110.356 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -62.72 -29.48 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.517 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.35 -42.24 79.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.798 -0.637 . . . . 20.0 109.752 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.15 -35.86 73.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.194 -0.912 . . . . 20.0 110.596 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 34.7 mt-10 -57.36 -32.77 67.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 20.0 111.684 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -71.14 -25.89 62.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.021 0.439 . . . . 20.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 48' ' ' ARG . 3.3 mmp_? -89.96 -41.27 11.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.414 0.625 . . . . 20.0 110.154 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.594 ' SD ' ' HD3' ' A' ' 52' ' ' ARG . 39.4 tpp -67.14 -18.81 65.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.238 -0.892 . . . . 20.0 110.338 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.47 -38.49 44.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.372 -0.831 . . . . 20.0 111.76 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.7 -37.85 85.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 20.0 111.054 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.594 ' HD3' ' SD ' ' A' ' 49' ' ' MET . 53.4 mtp180 -75.72 -39.42 57.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 20.0 110.329 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -62.33 -44.63 96.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.36 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.95 99.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.17 -0.468 . . . . 20.0 111.398 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -68.01 -33.52 74.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.733 0.301 . . . . 20.0 111.226 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 56.2 ttp -76.47 -38.96 54.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.236 0.541 . . . . 20.0 110.301 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 . . . . . 0 C--N 1.325 -0.462 0 CA-C-N 115.426 -0.806 . . . . 20.0 110.348 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 . . . . . 0 N--CA 1.462 0.139 0 N-CA-C 112.362 0.504 . . . . 20.0 112.362 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -59.55 -44.96 93.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 20.0 110.783 -175.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -78.56 -37.9 41.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 20.0 110.947 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -64.27 -40.89 96.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.297 -0.411 . . . . 20.0 110.677 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.3 p -72.64 -21.35 61.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.582 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -72.32 -36.86 68.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.524 -0.547 . . . . 20.0 109.524 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -66.1 -39.08 89.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 20.0 109.837 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.72 -36.39 83.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 20.0 109.686 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -67.75 -32.92 73.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 20.0 110.61 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.54 -30.03 69.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.233 0.54 . . . . 20.0 109.999 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -79.99 -24.92 40.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.757 -0.656 . . . . 20.0 110.25 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.26 -15.51 60.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.201 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -72.47 -31.74 65.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.927 -0.768 . . . . 20.0 108.927 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.5 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.234 -0.893 . . . . 20.0 110.216 176.299 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 . . . . . 0 N--CA 1.463 0.19 0 N-CA-C 112.332 0.494 . . . . 20.0 112.332 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.43 -41.02 80.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 20.0 110.269 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -79.91 -32.36 40.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.753 -0.658 . . . . 20.0 110.727 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.0 t -55.45 -47.09 78.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.883 0.373 . . . . 20.0 110.258 176.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.75 -45.2 92.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.684 -0.689 . . . . 20.0 110.489 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -60.93 -45.28 95.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.955 -0.566 . . . . 20.0 110.231 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -64.37 -37.5 87.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.029 -0.532 . . . . 20.0 111.057 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 mmt -72.69 -34.57 67.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.539 -0.3 . . . . 20.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.74 92.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.096 0.474 . . . . 20.0 109.924 174.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 21.9 mm-40 -68.03 -30.0 69.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.597 -0.729 . . . . 20.0 110.666 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 56' ' ' MET . 9.9 tpt180 -61.17 -52.63 64.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.659 . . . . 20.0 110.266 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 82.2 t80 -70.27 -30.07 67.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.889 -177.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.81 -66.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.279 -0.419 . . . . 20.0 112.059 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 20.1 pttm -74.76 -43.78 53.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 20.0 111.514 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 66.5 mtt -83.69 12.04 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.48 -0.327 . . . . 20.0 111.332 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 25.5 ttm180 . . . . . 0 C--N 1.332 -0.169 0 CA-C-O 121.454 0.645 . . . . 20.0 109.49 172.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.164 0 CA-C-O 120.859 0.362 . . . . 20.0 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -60.52 -34.29 73.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.903 -0.59 . . . . 20.0 111.273 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.27 -30.96 25.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.067 0.46 . . . . 20.0 110.376 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -68.49 -15.49 63.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.517 -0.765 . . . . 20.0 110.47 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -57.49 -12.0 2.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.79 -0.641 . . . . 20.0 112.109 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -64.05 -25.91 68.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.715 0.293 . . . . 20.0 110.383 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -65.2 -34.61 78.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.28 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.64 -48.2 82.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.583 -0.735 . . . . 20.0 110.515 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -77.23 -25.78 51.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.946 0.403 . . . . 20.0 110.333 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -63.48 -48.12 78.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.057 -0.519 . . . . 20.0 109.85 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.44 ' O ' HG12 ' A' ' 29' ' ' VAL . 39.6 ptt180 -72.52 -11.21 60.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.025 0.441 . . . . 20.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.31 -30.94 25.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.244 0.545 . . . . 20.0 110.14 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -90.8 -15.8 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.659 -0.7 . . . . 20.0 111.358 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 26' ' ' ARG . 5.1 p . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.413 0.625 . . . . 20.0 109.521 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 35.3 m170 . . . . . 0 CA--C 1.514 -0.405 0 N-CA-C 109.036 -0.727 . . . . 20.0 109.036 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.652 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 13.6 m-20 -56.82 -32.87 66.16 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.168 -0.924 . . . . 20.0 110.706 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.58 -41.68 86.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.557 . . . . 20.0 110.913 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.0 t -70.03 -39.31 77.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.475 0.655 . . . . 20.0 110.285 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 31.1 mt-10 -74.48 -18.89 60.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.135 -0.939 . . . . 20.0 111.32 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 26.8 mmm180 -54.65 -44.23 73.04 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.689 0.28 . . . . 20.0 110.872 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -68.11 -25.2 65.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.01 -0.541 . . . . 20.0 110.704 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 61.1 mtt -81.76 -43.25 18.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.361 0.601 . . . . 20.0 109.459 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.14 -25.2 66.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.251 -0.886 . . . . 20.0 111.293 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 57.2 mm-40 -56.94 -33.87 67.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.472 . . . . 20.0 111.34 177.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.526 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 4.3 mmp_? -92.03 -42.33 10.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.739 0.305 . . . . 20.0 111.679 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -88.03 -51.29 5.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.22 0.452 . . . . 20.0 112.22 -172.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.33 -14.56 58.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.568 -174.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -90.64 -16.51 28.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.842 0.353 . . . . 20.0 110.469 175.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.5 tpt -89.06 -61.59 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.38 . . . . 20.0 110.842 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 . . . . . 0 C--N 1.328 -0.368 0 C-N-CA 120.951 -0.3 . . . . 20.0 110.497 179.824 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 . . . . . 0 N--CA 1.455 -0.218 0 CA-C-O 120.605 0.24 . . . . 20.0 110.834 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.2 -30.75 71.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 20.0 111.078 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -77.07 -37.09 55.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.028 0.442 . . . . 20.0 110.458 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -78.26 -30.47 48.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.099 -0.501 . . . . 20.0 110.909 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 p -72.62 -33.8 66.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 20.0 109.975 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -69.69 -37.47 76.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.997 -0.547 . . . . 20.0 109.91 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.533 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 24.8 t-20 -66.84 -37.74 85.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.334 -0.617 . . . . 20.0 109.334 175.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.52 -37.28 86.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.657 -0.701 . . . . 20.0 109.999 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -64.29 -33.48 75.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.393 -0.821 . . . . 20.0 110.09 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -77.61 -36.05 52.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 20.0 109.983 -179.32 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 32.3 mmt180 -60.38 -27.32 67.32 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.574 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.97 -28.21 69.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.989 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -82.69 -34.35 27.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.832 -0.622 . . . . 20.0 110.239 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 115.913 -0.585 . . . . 20.0 110.695 178.089 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.8 p80 . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.857 0.361 . . . . 20.0 110.542 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.75 -32.96 74.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.417 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -67.48 -40.81 85.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.168 0.508 . . . . 20.0 109.925 176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.78 -50.74 57.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.709 -0.678 . . . . 20.0 110.771 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.34 -26.21 64.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.148 -0.478 . . . . 20.0 111.768 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -85.03 -65.32 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.91 0.386 . . . . 20.0 111.025 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 33.4 ttm180 -80.52 -58.58 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.948 -0.569 . . . . 20.0 111.601 -170.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 95.7 mmm -62.17 -35.43 78.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.792 -174.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.59 -43.05 89.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.75 0.309 . . . . 20.0 111.033 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.03 -22.18 62.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.016 0.436 . . . . 20.0 110.325 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 30.0 mmm180 -78.15 -39.37 41.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 20.0 109.857 176.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -64.08 -33.14 75.09 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.168 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.92 80.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.979 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.34 -5.25 48.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.942 -0.572 . . . . 20.0 111.036 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.0 mtp -90.76 -26.15 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 20.0 109.808 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.545 179.117 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 . . . . . 0 CA--C 1.521 -0.15 0 CA-C-O 121.254 0.549 . . . . 20.0 110.683 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' O ' ' HD2' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -64.27 -29.7 70.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.498 -0.773 . . . . 20.0 110.161 178.367 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.66 -38.73 62.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.096 -0.502 . . . . 20.0 109.91 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.45 -37.68 85.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.777 -0.647 . . . . 20.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 p -70.69 -44.84 66.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.535 -0.302 . . . . 20.0 110.97 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.434 ' HD2' ' O ' ' A' ' 17' ' ' GLN . 13.2 m-85 -64.71 -33.3 75.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.62 0.247 . . . . 20.0 111.223 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -70.72 -36.34 73.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.883 0.373 . . . . 20.0 110.177 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -60.08 -39.72 87.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.107 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -70.8 -39.55 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 20.0 110.365 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.3 -46.02 91.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 20.0 110.656 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -60.34 -35.74 76.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.532 -0.758 . . . . 20.0 111.109 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.91 -38.19 19.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.305 -0.407 . . . . 20.0 111.53 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.562 ' HD3' ' C ' ' A' ' 28' ' ' LYS . 10.2 tmtt? -70.1 -51.17 33.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.404 . . . . 20.0 110.38 -177.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t . . . . . 0 C--N 1.326 -0.45 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.355 -178.801 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.573 0.225 . . . . 20.0 110.755 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -68.37 -34.27 75.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 20.0 110.839 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -66.82 -41.38 87.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.982 -0.553 . . . . 20.0 109.885 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.0 t -70.7 -47.35 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.745 . . . . 20.0 110.482 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.94 -41.0 77.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 20.0 111.502 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.5 ttp-105 -60.64 -37.35 81.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.486 . . . . 20.0 110.765 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -85.68 -36.1 20.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.531 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 45.5 tpp -63.22 -38.75 92.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.45 -0.795 . . . . 20.0 110.555 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.67 81.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 20.0 110.943 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.61 -45.23 87.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.532 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.21 -39.08 82.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.737 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -65.57 -33.98 77.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.636 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.82 -30.04 70.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.09 0.472 . . . . 20.0 110.626 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -80.79 -44.97 17.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.214 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.12 -36.32 79.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.674 -0.694 . . . . 20.0 110.99 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 115.772 -0.649 . . . . 20.0 111.354 -177.026 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 112.012 0.375 . . . . 20.0 112.012 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -90.23 -70.03 0.69 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.086 0.47 . . . . 20.0 111.978 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -90.3 -48.44 7.14 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.115 -172.151 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -64.86 -14.47 59.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.311 0.485 . . . . 20.0 112.311 -174.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.2 p -73.3 -48.14 36.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.966 0.412 . . . . 20.0 110.848 176.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -91.28 -44.6 9.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.259 -0.428 . . . . 20.0 111.339 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.483 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 12.3 m120 -60.01 -43.74 95.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.407 -0.361 . . . . 20.0 111.459 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.5 -34.67 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.17 0.51 . . . . 20.0 110.605 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -72.28 -29.28 63.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.179 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.67 -49.22 12.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.805 -0.634 . . . . 20.0 110.222 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 81.2 mtp180 -61.59 -38.24 86.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 20.0 111.14 -176.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.29 -20.5 63.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.39 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -82.62 -43.71 16.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.082 -0.508 . . . . 20.0 109.852 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 82.3 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 20.0 110.28 177.037 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.5 m80 . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 120.543 0.211 . . . . 20.0 111.195 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.97 -33.67 76.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.083 0.468 . . . . 20.0 110.132 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.05 -38.02 64.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.575 -0.739 . . . . 20.0 109.678 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.05 -51.08 73.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.852 -0.613 . . . . 20.0 110.666 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -57.81 -29.39 64.86 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.117 0.484 . . . . 20.0 110.657 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 47' ' ' ARG . 45.1 ttm180 -71.92 -60.44 2.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.772 177.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -65.15 -38.13 89.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.329 . . . . 20.0 111.299 -175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 52.4 tpp -64.04 -29.47 70.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.315 -0.402 . . . . 20.0 110.927 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.08 -51.0 71.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 20.0 111.134 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.06 -27.81 61.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 20.0 110.496 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -64.13 -44.43 92.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 20.0 110.57 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -65.06 -36.4 84.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.521 . . . . 20.0 110.61 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.6 -45.33 53.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 20.0 110.872 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -66.63 -23.61 66.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.673 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.1 ttm -65.93 -31.3 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.912 -0.585 . . . . 20.0 110.281 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.018 175.614 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 N--CA 1.469 0.478 0 N-CA-C 113.492 0.923 . . . . 20.0 113.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -63.94 -24.33 67.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.767 0.318 . . . . 20.0 111.729 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -90.59 -14.05 33.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.891 0.377 . . . . 20.0 110.489 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.36 -30.66 71.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.445 . . . . 20.0 110.919 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -67.99 -34.14 75.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.147 0.499 . . . . 20.0 110.43 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -73.79 -33.44 64.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 20.0 109.977 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 21.0 m-80 -57.52 -45.44 84.99 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.708 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -59.71 -43.06 94.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.482 -0.327 . . . . 20.0 111.324 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -62.2 -42.07 98.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 20.0 110.275 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.19 -43.39 78.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 20.0 110.131 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 98.6 mtt180 -62.95 -36.3 82.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.158 -0.473 . . . . 20.0 110.94 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.23 -24.97 65.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.152 0.501 . . . . 20.0 110.908 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -90.51 -6.23 55.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.568 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.418 HG23 ' HA ' ' A' ' 26' ' ' ARG . 42.0 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.646 -0.252 . . . . 20.0 111.596 -177.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 18.1 p80 . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.701 0.286 . . . . 20.0 110.845 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.31 -36.13 70.71 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.702 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.46 -43.33 88.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.784 -0.644 . . . . 20.0 109.906 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.62 -40.45 84.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.347 -0.842 . . . . 20.0 110.675 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 46.5 mm-40 -55.17 -42.5 73.26 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.848 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -69.76 -40.14 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.569 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -62.01 -39.24 91.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.443 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.2 tpp -78.65 -31.48 46.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.583 -0.735 . . . . 20.0 110.515 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.76 92.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.766 -0.652 . . . . 20.0 112.004 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.37 -23.04 67.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.885 0.374 . . . . 20.0 111.16 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -71.26 -51.93 21.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.15 -0.477 . . . . 20.0 109.721 177.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.488 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 54.7 m-85 -68.83 -27.46 65.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 20.0 111.03 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.42 82.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.731 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -74.18 -28.83 61.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.401 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.7 mtp -78.11 -7.61 57.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 20.0 110.945 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 98.5 mtt180 . . . . . 0 C--N 1.327 -0.397 0 CA-C-O 121.022 0.439 . . . . 20.0 110.26 176.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 . . . . . 0 N--CA 1.455 -0.183 0 N-CA-C 111.655 0.243 . . . . 20.0 111.655 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -61.96 -25.86 67.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.705 0.288 . . . . 20.0 111.497 -177.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -80.23 -33.05 38.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.928 0.394 . . . . 20.0 110.704 -177.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -92.03 -22.29 20.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.197 0.443 . . . . 20.0 112.197 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 p -77.84 -8.88 58.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.238 0.459 . . . . 20.0 112.238 -174.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -46.97 -38.92 11.45 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.329 0.492 . . . . 20.0 112.329 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -87.06 -23.91 24.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 20.0 111.108 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.05 -46.03 25.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.944 -0.571 . . . . 20.0 110.607 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 68.4 t-105 -69.15 -23.27 63.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.2 0.524 . . . . 20.0 109.624 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.7 tp -65.37 -38.06 88.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.794 -0.639 . . . . 20.0 109.465 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -73.93 -32.29 63.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.115 176.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.57 84.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.348 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.4 -40.99 94.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.417 -0.81 . . . . 20.0 109.932 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.9 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.771 -0.649 . . . . 20.0 111.264 179.173 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.972 0.415 . . . . 20.0 110.494 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -57.76 -35.65 71.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.33 173.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 35.9 tt0 -65.83 -40.62 91.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.531 -0.758 . . . . 20.0 110.383 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.85 -42.83 97.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.189 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.06 -37.85 86.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.834 -0.621 . . . . 20.0 109.337 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 47' ' ' ARG . 1.8 tpp180 -66.43 -32.18 73.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 20.0 110.897 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 30.0 mmm180 -77.94 -41.81 35.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.155 0.502 . . . . 20.0 110.025 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.7 mmt -76.06 -19.47 58.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 20.0 111.576 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.57 -38.68 72.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 20.0 111.131 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -70.41 -29.14 65.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.761 -0.654 . . . . 20.0 110.341 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -79.3 -29.62 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 20.0 110.336 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 56' ' ' MET . 76.9 t80 -58.02 -31.17 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.674 -0.694 . . . . 20.0 111.173 -176.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.01 86.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 20.0 110.986 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -88.82 -24.72 22.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.102 0.477 . . . . 20.0 110.394 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.472 ' HB3' ' HA ' ' A' ' 53' ' ' PHE . 53.7 tpp -67.74 -24.77 65.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.989 -0.55 . . . . 20.0 110.608 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.032 -0.531 . . . . 20.0 110.532 177.385 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 . . . . . 0 N--CA 1.467 0.416 0 N-CA-C 112.187 0.44 . . . . 20.0 112.187 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -67.09 -35.62 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 20.0 111.326 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -71.94 -15.48 62.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.076 0.465 . . . . 20.0 110.447 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -65.99 -15.05 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.532 176.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -87.18 -20.66 26.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.368 0.604 . . . . 20.0 109.766 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -96.27 -13.79 23.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.421 -0.809 . . . . 20.0 110.366 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -45.6 -24.1 0.31 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.846 -1.07 . . . . 20.0 113.599 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.66 -37.48 68.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 20.0 110.703 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -72.04 -37.08 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 20.0 110.365 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.34 -28.98 62.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.531 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -65.54 -31.91 73.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.18 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.8 72.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.285 0.565 . . . . 20.0 110.038 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -73.22 -27.1 61.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.402 -0.817 . . . . 20.0 110.11 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.2 t . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.048 175.899 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.0 t60 . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.239 -0.282 . . . . 20.0 110.239 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.56 -50.51 73.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 20.0 111.146 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.66 -47.73 83.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.373 . . . . 20.0 111.179 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.67 -48.83 81.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.237 -0.438 . . . . 20.0 110.712 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.18 -45.3 85.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.12 -0.491 . . . . 20.0 111.343 -176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -64.74 -33.59 76.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.341 . . . . 20.0 110.812 -176.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -77.18 -35.84 55.54 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.11 -0.495 . . . . 20.0 110.522 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.4 mmt -76.15 -34.22 59.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.045 -0.525 . . . . 20.0 110.558 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.7 -40.44 72.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.052 -0.522 . . . . 20.0 111.26 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.54 -40.43 97.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.801 -0.636 . . . . 20.0 110.114 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -70.71 -44.42 66.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 20.0 110.518 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.605 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 23.9 m-85 -63.6 -30.31 71.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.864 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.97 -31.43 70.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.987 0.422 . . . . 20.0 111.043 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -77.87 -44.26 27.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.038 -0.528 . . . . 20.0 110.958 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 53' ' ' PHE . 26.2 ptm -84.83 -1.67 56.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.856 0.36 . . . . 20.0 111.51 -176.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 43.3 ttp180 . . . . . 0 C--N 1.325 -0.495 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.921 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.626 0.25 . . . . 20.0 110.611 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.92 -49.04 79.33 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.095 -0.502 . . . . 20.0 111.368 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.95 -31.49 72.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.413 -175.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 95.9 m-20 -90.7 -15.33 30.5 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.841 -0.344 . . . . 20.0 111.687 -178.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -51.1 -53.45 34.04 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.232 0.456 . . . . 20.0 112.232 -176.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -71.35 -25.02 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.929 0.395 . . . . 20.0 110.539 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -75.01 -42.8 56.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.09 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 19' ' ' ASN . 13.2 mm-40 -67.92 -39.46 83.54 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.63 -0.507 . . . . 20.0 109.63 178.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -63.98 -38.77 92.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 20.0 110.208 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.0 -26.03 65.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.889 -0.596 . . . . 20.0 111.045 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -90.41 -48.27 7.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.064 0.459 . . . . 20.0 110.644 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.18 -5.08 42.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.871 -0.604 . . . . 20.0 112.308 -173.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -17.16 59.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.643 0.259 . . . . 20.0 111.18 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 20.0 109.896 175.115 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 . . . . . 0 C--O 1.225 -0.213 0 CA-C-O 120.394 0.14 . . . . 20.0 111.305 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -64.83 -29.94 70.92 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.766 0.284 . . . . 20.0 111.766 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -82.44 -29.93 30.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.832 0.349 . . . . 20.0 110.998 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.48 -50.22 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.031 0.443 . . . . 20.0 110.569 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.76 -40.02 82.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.763 -0.653 . . . . 20.0 111.202 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -66.56 -30.2 70.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.394 . . . . 20.0 111.176 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -90.64 -30.0 17.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.907 0.384 . . . . 20.0 111.184 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 43.8 tpp -90.48 -47.93 7.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.067 -0.515 . . . . 20.0 112.282 -172.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.03 -63.68 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.908 0.707 . . . . 20.0 112.908 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.04 -31.73 69.11 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.812 0.339 . . . . 20.0 111.805 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -68.86 -41.32 78.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.916 0.389 . . . . 20.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -77.17 -34.23 56.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.976 0.417 . . . . 20.0 110.345 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.07 70.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.914 -0.584 . . . . 20.0 110.898 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.71 -31.66 70.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.491 . . . . 20.0 110.614 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.5 mtp -78.88 -14.94 58.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.905 -0.588 . . . . 20.0 110.51 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 . . . . . 0 C--N 1.326 -0.417 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.535 -178.502 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.743 0.306 . . . . 20.0 111.681 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.92 -29.9 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 20.0 110.82 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -71.53 -38.05 71.09 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.386 0.612 . . . . 20.0 109.577 177.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.568 ' N ' HD22 ' A' ' 19' ' ' ASN . 0.8 OUTLIER -71.92 -33.46 68.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.32 -0.855 . . . . 20.0 110.605 -173.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.1 m -64.25 -33.22 75.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.919 0.39 . . . . 20.0 110.23 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -80.57 -36.02 33.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 20.0 109.98 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.558 HD22 ' C ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -58.14 -47.63 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.943 -0.571 . . . . 20.0 109.674 175.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.09 -36.99 85.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.784 -0.644 . . . . 20.0 110.479 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -72.67 -46.24 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.366 -0.379 . . . . 20.0 110.995 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.26 -45.6 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 20.0 110.899 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -67.61 -29.74 69.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 20.0 110.939 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.41 -32.33 32.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.085 0.469 . . . . 20.0 110.634 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -73.44 -71.06 0.33 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.742 -0.663 . . . . 20.0 109.916 179.582 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.735 -0.211 . . . . 20.0 111.34 176.653 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 . . . . . 0 N--CA 1.464 0.259 0 CA-C-O 121.1 0.476 . . . . 20.0 110.847 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 4.2 m-20 -63.78 -29.6 70.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.938 -0.573 . . . . 20.0 110.198 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.26 -29.52 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.423 0.63 . . . . 20.0 109.682 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.2 t -70.99 -39.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.447 -0.797 . . . . 20.0 109.767 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.99 -42.59 72.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.614 -0.721 . . . . 20.0 109.918 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 27.4 mmt180 -62.88 -40.94 99.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.619 -0.718 . . . . 20.0 110.698 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -67.23 -39.67 86.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.959 -0.564 . . . . 20.0 111.073 -177.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.2 mtm -82.92 -21.47 34.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.394 -0.366 . . . . 20.0 111.412 -176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.32 71.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 20.0 112.137 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.93 -22.82 64.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.525 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.0 mtm105 -87.54 -41.35 13.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.891 0.376 . . . . 20.0 110.205 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -67.9 -10.2 51.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 20.0 111.075 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -59.9 -26.17 65.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.981 176.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.42 -35.6 40.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.113 0.482 . . . . 20.0 110.278 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -82.94 -25.27 32.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.575 . . . . 20.0 111.306 -175.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 22.9 ptt180 . . . . . 0 C--N 1.332 -0.165 0 CA-C-O 121.242 0.544 . . . . 20.0 110.375 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HA ' ' ND2' ' A' ' 19' ' ' ASN . 8.4 mm-40 . . . . . 0 CA--C 1.52 -0.209 0 CA-C-O 120.697 0.284 . . . . 20.0 110.921 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -61.9 -30.06 70.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 20.0 110.553 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -91.32 -58.54 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.2 -0.455 . . . . 20.0 111.713 -178.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 16' ' ' GLU . 9.6 p30 -66.71 -20.29 65.94 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.17 0.433 . . . . 20.0 112.17 -168.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.4 m -73.79 -29.71 62.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 20.0 110.461 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -90.38 -36.74 14.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 20.0 110.178 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -66.23 -20.53 66.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.669 -0.696 . . . . 20.0 110.72 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -58.41 -57.09 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.526 -0.306 . . . . 20.0 111.306 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -73.67 -20.11 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.987 0.422 . . . . 20.0 111.01 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -75.86 -27.69 57.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.27 0.557 . . . . 20.0 109.843 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -86.09 -37.41 18.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 20.0 110.11 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.49 -1.04 25.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.571 . . . . 20.0 111.757 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -64.63 -16.56 62.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 20.0 110.815 -179.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 20.0 110.714 178.301 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.7 p80 . . . . . 0 N--CA 1.462 0.155 0 CA-C-O 120.713 0.292 . . . . 20.0 110.595 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -60.27 -32.16 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 20.0 110.977 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.91 -38.85 87.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.389 . . . . 20.0 110.434 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.3 t -68.75 -46.33 79.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.912 -0.585 . . . . 20.0 110.317 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.69 -33.15 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.434 -0.803 . . . . 20.0 110.394 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.634 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 74.7 ttt180 -65.74 -43.93 87.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 20.0 109.855 176.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -59.37 -35.54 74.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.521 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.1 mtt -74.35 -38.94 63.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.868 -0.606 . . . . 20.0 110.227 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.65 71.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 20.0 111.076 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 9.7 mm-40 -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.812 -0.631 . . . . 20.0 110.271 176.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -79.84 -44.87 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 20.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -66.26 -21.85 66.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 20.0 110.749 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.49 72.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 20.0 111.186 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -69.18 -38.15 78.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.097 0.475 . . . . 20.0 110.529 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.2 mtp -80.16 -16.28 55.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.766 -0.652 . . . . 20.0 110.373 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 115.532 -0.758 . . . . 20.0 110.303 -178.691 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 . . . . . 0 CA--C 1.528 0.106 0 CA-C-O 120.962 0.411 . . . . 20.0 110.661 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 36.2 tt0 -67.72 -36.06 79.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.964 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -65.6 -40.16 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 20.0 110.367 -177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -70.39 -26.75 63.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 20.0 110.708 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -66.83 -35.69 80.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.388 -0.597 . . . . 20.0 109.388 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.415 ' CE2' ' HG2' ' A' ' 17' ' ' GLN . 29.5 m-85 -72.45 -36.56 68.55 Favored 'General case' 0 CA--C 1.523 -0.073 0 CA-C-N 116.364 -0.38 . . . . 20.0 110.03 174.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.505 ' HB3' ' SD ' ' A' ' 49' ' ' MET . 93.4 m-20 -58.35 -39.31 79.17 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.984 -0.553 . . . . 20.0 110.957 178.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -63.55 -35.0 79.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.946 0.403 . . . . 20.0 110.492 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -72.77 -40.16 66.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 20.0 110.453 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.2 -39.29 93.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.305 0.574 . . . . 20.0 109.809 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.52 ' O ' HG12 ' A' ' 29' ' ' VAL . 71.6 ttt180 -67.01 -32.72 74.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.301 -0.863 . . . . 20.0 110.705 178.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.11 71.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.824 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -82.27 -24.69 34.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.706 -0.679 . . . . 20.0 111.959 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 26' ' ' ARG . 8.8 p . . . . . 0 C--N 1.328 -0.366 0 CA-C-O 121.26 0.553 . . . . 20.0 110.632 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 . . . . . 0 N--CA 1.467 0.38 0 CA-C-O 120.787 0.327 . . . . 20.0 111.479 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.98 -23.76 65.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.168 0.509 . . . . 20.0 110.336 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.16 -47.11 12.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 20.0 110.267 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.4 t -64.51 -31.23 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.246 -0.888 . . . . 20.0 110.785 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -46.67 -42.54 16.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.758 -0.655 . . . . 20.0 111.15 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 30.6 ttp180 -77.61 -49.29 14.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.688 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -61.79 -40.67 96.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.934 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' A' ' 22' ' ' ASN . 53.4 ttm -65.93 -38.72 89.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.814 0.34 . . . . 20.0 110.173 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.49 94.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 20.0 110.573 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 55.7 mt-10 -65.61 -45.12 84.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 20.0 110.373 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 56' ' ' MET . 56.4 ttp180 -65.41 -32.69 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 20.0 111.137 -178.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.04 -49.61 75.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.006 0.432 . . . . 20.0 110.395 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.89 -22.21 53.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.49 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.4 ttpp -72.08 -23.62 61.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.189 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 92.9 mmm -75.58 -13.32 60.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 20.0 110.361 176.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 20.0 109.599 174.827 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 19' ' ' ASN . 48.0 mt-10 . . . . . 0 N--CA 1.465 0.283 0 CA-C-O 120.786 0.327 . . . . 20.0 111.502 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -71.37 -12.43 61.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.904 -0.589 . . . . 20.0 110.961 178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -90.46 -48.72 6.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.807 0.337 . . . . 20.0 110.37 178.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.569 ' HA ' ' HB3' ' A' ' 22' ' ' ASN . 2.8 p30 -76.01 -15.67 60.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.265 -0.425 . . . . 20.0 112.072 -176.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 p -64.87 -47.39 78.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.01 0.434 . . . . 20.0 110.276 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -80.84 -21.97 40.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.762 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.569 ' HB3' ' HA ' ' A' ' 19' ' ' ASN . 27.9 t-20 -70.22 -23.06 62.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.218 176.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.94 -33.33 74.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.78 -0.645 . . . . 20.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -70.7 -36.91 73.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 20.0 109.712 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.3 -37.5 87.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.966 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -62.47 -39.23 92.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.425 -0.807 . . . . 20.0 110.417 175.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.27 -34.49 70.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 20.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.76 -46.46 82.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.752 -0.658 . . . . 20.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p . . . . . 0 C--N 1.33 -0.25 0 CA-C-O 121.004 0.43 . . . . 20.0 110.713 -179.604 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.7 m80 . . . . . 0 CA--C 1.521 -0.159 0 N-CA-C 109.793 -0.447 . . . . 20.0 109.793 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.41 -37.23 85.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.643 -0.708 . . . . 20.0 110.498 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 34.5 tt0 -64.79 -45.75 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.609 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 49' ' ' MET . 47.7 t -65.95 -42.87 92.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.113 -0.494 . . . . 20.0 110.098 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.43 -48.7 79.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.623 -0.717 . . . . 20.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -65.85 -36.38 83.29 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.01 -0.276 . . . . 20.0 110.6 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 21.1 mmm180 -62.1 -40.07 94.6 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 121.259 -0.176 . . . . 20.0 110.718 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 26.4 mmt -57.86 -36.76 72.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 20.0 110.94 178.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.19 -52.07 7.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.064 -0.517 . . . . 20.0 111.125 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 53.1 mt-10 -64.84 -33.41 75.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.246 -0.433 . . . . 20.0 111.709 -174.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -61.28 -32.54 72.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.144 0.497 . . . . 20.0 110.296 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -90.06 -41.75 11.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.808 -0.633 . . . . 20.0 110.298 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.35 77.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 20.0 111.796 -177.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 51' ' ' GLU . 5.7 mptp? -61.27 -24.9 66.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.507 -0.315 . . . . 20.0 111.089 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.7 ttp -81.01 -47.14 14.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.882 0.372 . . . . 20.0 110.518 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 20.0 110.765 -177.009 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 . . . . . 0 N--CA 1.462 0.157 0 N-CA-C 112.827 0.677 . . . . 20.0 112.827 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.83 -57.63 9.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.585 0.231 . . . . 20.0 110.962 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -75.83 -31.51 59.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 20.0 110.979 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.427 ' N ' HD22 ' A' ' 19' ' ' ASN . 0.9 OUTLIER -75.24 -12.22 60.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.101 -0.499 . . . . 20.0 111.792 -177.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.2 p -48.97 -44.34 40.81 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.72 0.295 . . . . 20.0 111.251 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -68.34 -38.88 81.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.004 0.43 . . . . 20.0 110.55 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -64.57 -31.92 73.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.782 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.39 -41.45 97.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.066 0.46 . . . . 20.0 110.051 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -66.09 -38.83 89.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.795 -0.639 . . . . 20.0 110.059 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.6 mt -64.84 -41.95 95.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 20.0 109.969 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.31 -41.91 90.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.654 -0.703 . . . . 20.0 110.268 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.9 -29.32 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 20.0 111.256 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -80.67 -21.18 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.178 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' LEU . 71.7 t . . . . . 0 C--N 1.327 -0.408 0 N-CA-C 111.982 0.364 . . . . 20.0 111.982 -175.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.1 m170 . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 111.735 0.272 . . . . 20.0 111.735 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.23 -23.29 63.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.645 0.26 . . . . 20.0 110.973 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -71.24 -27.51 63.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.474 0.654 . . . . 20.0 109.736 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 49' ' ' MET . 76.3 t -69.59 -44.48 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.477 -0.783 . . . . 20.0 109.703 176.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.05 -33.89 76.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.491 -0.777 . . . . 20.0 110.38 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -60.78 -38.36 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.596 -0.729 . . . . 20.0 110.677 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -78.03 -28.04 48.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 20.0 110.71 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.3 mmt -62.82 -24.92 68.0 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.078 -0.51 . . . . 20.0 111.589 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.79 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 20.0 111.86 -177.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.05 -33.8 74.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.754 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -63.78 -44.6 92.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.287 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -71.54 -34.29 69.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.96 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.26 94.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.913 0.387 . . . . 20.0 110.814 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -72.6 -30.1 64.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.33 -0.395 . . . . 20.0 110.814 178.125 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.7 ttm -75.03 -28.52 60.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.282 -0.417 . . . . 20.0 110.652 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 115.809 -0.632 . . . . 20.0 110.354 178.121 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 CA--C 1.533 0.3 0 N-CA-C 112.989 0.737 . . . . 20.0 112.989 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -61.45 -36.75 81.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.666 0.269 . . . . 20.0 111.302 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.32 -26.66 56.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.543 0.211 . . . . 20.0 111.027 -178.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -84.06 -15.23 48.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.366 0.603 . . . . 20.0 110.297 177.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.2 t -71.89 -10.55 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.389 -0.823 . . . . 20.0 111.58 -177.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -54.11 -30.24 47.95 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 111.906 0.335 . . . . 20.0 111.906 -176.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.7 -41.36 97.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 20.0 110.902 178.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -83.34 -32.36 26.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.119 0.485 . . . . 20.0 109.994 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -65.78 -35.64 81.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.319 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.3 tm? -63.18 -36.57 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.561 -0.533 . . . . 20.0 109.561 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -60.73 -37.03 80.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.242 0.544 . . . . 20.0 110.232 177.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.43 -28.47 65.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.698 -0.683 . . . . 20.0 110.879 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 1.9 tpmt? -82.78 -27.48 30.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.771 -0.649 . . . . 20.0 110.633 -178.255 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 25' ' ' LEU . 92.8 t . . . . . 0 C--N 1.33 -0.268 0 N-CA-C 110.217 -0.29 . . . . 20.0 110.217 176.334 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.488 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 62.1 t60 . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.44 0.162 . . . . 20.0 111.116 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.56 -28.9 64.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.083 0.468 . . . . 20.0 109.978 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 28.5 tt0 -77.93 -32.41 51.59 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.853 -0.612 . . . . 20.0 110.129 179.189 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 49' ' ' MET . 98.1 t -56.88 -49.59 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.819 -0.438 . . . . 20.0 109.819 174.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 5.7 mm-40 -57.29 -39.36 75.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.536 -0.757 . . . . 20.0 110.343 177.581 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -67.89 -44.87 76.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.822 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 90.8 mtt180 -60.76 -35.33 76.13 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.106 -179.274 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.9 mmt -57.25 -32.13 66.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 20.0 111.831 -176.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.21 91.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.919 0.39 . . . . 20.0 110.83 177.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.92 -21.8 40.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.365 0.602 . . . . 20.0 110.127 179.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 56' ' ' MET . 57.9 ttt180 -66.12 -22.78 66.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.349 -0.841 . . . . 20.0 111.058 -175.191 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -60.25 -36.2 77.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.023 0.439 . . . . 20.0 110.282 174.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.77 -32.56 23.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.048 -0.524 . . . . 20.0 110.01 175.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 52' ' ' ARG . 14.7 tppt? -57.34 -37.7 72.97 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.599 -0.728 . . . . 20.0 110.657 178.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 24.6 mmt -57.82 -29.21 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 20.0 111.414 -179.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 . . . . . 0 C--N 1.324 -0.507 0 CA-C-N 116.331 -0.395 . . . . 20.0 111.65 -174.184 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 N--CA 1.463 0.215 0 N-CA-C 112.244 0.461 . . . . 20.0 112.244 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -73.1 -15.84 61.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.753 0.311 . . . . 20.0 110.826 -177.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -80.46 -39.97 27.11 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.815 -0.809 . . . . 20.0 108.815 174.222 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -64.17 -45.4 88.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.418 -0.81 . . . . 20.0 110.667 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 p -67.73 -40.56 84.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.376 -0.375 . . . . 20.0 111.143 -178.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -68.03 -35.95 79.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.993 -0.373 . . . . 20.0 109.993 178.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -69.81 -32.79 71.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.021 0.438 . . . . 20.0 110.151 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -64.92 -41.15 95.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 20.0 109.72 173.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -64.16 -41.87 96.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.617 -0.72 . . . . 20.0 110.08 175.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.04 -36.68 80.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.747 -0.66 . . . . 20.0 110.396 178.193 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -60.31 -38.93 85.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.587 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.48 67.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.205 0.526 . . . . 20.0 110.707 178.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -72.98 -43.76 61.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.61 -0.723 . . . . 20.0 110.172 177.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.74 178.142 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.8 p80 . . . . . 0 N--CA 1.464 0.246 0 N-CA-C 111.802 0.297 . . . . 20.0 111.802 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.2 -54.57 45.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.981 0.419 . . . . 20.0 111.394 -176.245 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -68.79 -33.82 74.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.963 -0.562 . . . . 20.0 111.003 -178.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.24 -50.3 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.736 -0.468 . . . . 20.0 109.736 176.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.29 -41.59 89.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.313 -0.858 . . . . 20.0 110.827 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.58 -55.06 39.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.942 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -67.47 -31.89 72.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.49 -0.323 . . . . 20.0 110.855 -178.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 54.2 tpp -67.98 -43.75 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.395 -0.366 . . . . 20.0 110.523 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.23 74.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 20.0 110.668 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.31 -26.42 68.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.969 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -65.12 -32.49 74.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.21 0.529 . . . . 20.0 110.391 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 56' ' ' MET . 73.8 t80 -90.52 -27.62 19.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.769 177.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.36 -48.74 11.55 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.295 -0.412 . . . . 20.0 111.786 -177.759 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -80.31 0.1 34.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.256 -0.429 . . . . 20.0 111.946 -172.225 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 4.6 ppp? -80.11 -20.99 43.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.333 -0.617 . . . . 20.0 109.333 173.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 57' ' ' ARG . 5.9 tpm_? . . . . . 0 N--CA 1.452 -0.356 0 CA-C-N 115.611 -0.722 . . . . 20.0 110.006 176.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 111.756 0.28 . . . . 20.0 111.756 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -70.8 -27.8 64.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.964 0.411 . . . . 20.0 110.251 176.391 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 21' ' ' TYR . 43.1 mt-10 -86.35 -35.08 20.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.049 -0.523 . . . . 20.0 111.494 -172.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -78.96 -33.72 44.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.5 -0.48 . . . . 20.0 111.005 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -76.48 -14.06 60.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.149 0.499 . . . . 20.0 110.073 176.313 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.475 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 82.4 t80 -60.51 -29.56 69.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.463 -0.79 . . . . 20.0 110.433 177.601 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -66.33 -36.04 81.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.036 0.446 . . . . 20.0 110.181 176.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.91 -32.77 57.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 20.0 109.977 178.16 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 68.5 t-105 -62.34 -39.06 91.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 20.0 110.342 174.364 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.8 -46.04 89.84 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.131 -0.692 . . . . 20.0 109.131 175.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -58.92 -36.48 74.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.86 -0.609 . . . . 20.0 110.59 177.313 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.3 -44.79 90.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 20.0 111.13 -179.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.79 -32.98 71.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.034 -0.53 . . . . 20.0 111.106 -177.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 20.0 112.031 -177.133 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.4 m80 . . . . . 0 N--CA 1.464 0.239 0 N-CA-C 111.861 0.319 . . . . 20.0 111.861 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.25 -25.8 66.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 20.0 110.708 -179.661 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -81.87 -45.68 15.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 20.0 110.151 178.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -61.42 -53.11 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 20.0 111.379 -176.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.07 -27.06 68.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.897 -0.592 . . . . 20.0 111.598 -176.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.3 ttp-105 -76.84 -29.11 55.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.086 0.47 . . . . 20.0 110.87 -177.217 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.672 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 2.4 mmp_? -90.62 -29.82 17.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 20.0 111.586 -179.32 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.4 mtt -82.31 -19.2 39.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.569 -0.287 . . . . 20.0 111.662 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.72 -58.72 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.353 0.408 . . . . 20.0 112.004 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.52 -29.27 64.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.219 -0.446 . . . . 20.0 111.518 -177.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -69.39 -32.77 72.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.932 0.396 . . . . 20.0 110.377 -179.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.5 -30.67 71.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.336 178.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.14 -40.25 82.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.902 -0.59 . . . . 20.0 110.513 177.206 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -71.49 -32.24 68.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.289 177.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.1 ttm -62.06 -26.47 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.699 -0.682 . . . . 20.0 110.658 178.436 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.563 177.119 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.612 0.244 . . . . 20.0 110.918 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -58.64 -36.01 73.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.272 -0.422 . . . . 20.0 111.609 -173.072 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -71.94 -45.77 59.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.999 0.428 . . . . 20.0 110.542 -178.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -72.09 -30.66 65.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.694 -178.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.488 ' HA ' ' HB3' ' A' ' 24' ' ' TRP . 34.6 t -70.54 -20.59 62.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.699 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -81.26 -32.8 33.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.52 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -90.83 -56.32 3.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.306 -0.406 . . . . 20.0 111.612 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -89.99 -56.44 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.527 -170.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.488 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 70.1 t-105 -65.43 -19.25 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.331 . . . . 20.0 111.045 -174.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.9 -35.7 61.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.051 0.453 . . . . 20.0 110.309 176.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -75.19 -27.46 59.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.56 -0.745 . . . . 20.0 110.881 -178.014 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.15 -24.0 23.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.248 0.546 . . . . 20.0 110.735 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -72.24 -17.95 61.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.546 -178.407 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 121.466 0.65 . . . . 20.0 110.132 176.982 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 55.0 t-80 . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.428 0.156 . . . . 20.0 110.661 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.56 -36.57 78.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.848 177.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.92 -28.75 63.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.268 0.556 . . . . 20.0 110.119 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -76.76 -51.46 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.428 -0.806 . . . . 20.0 110.421 179.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 12.0 pt-20 -70.33 -19.06 63.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 20.0 111.448 -177.041 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 4.1 tmt_? -57.19 -33.23 67.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.493 -0.558 . . . . 20.0 109.493 174.306 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -62.54 -44.94 95.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.231 177.577 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 46' ' ' GLU . 1.8 mpt? -66.07 -31.98 73.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 20.0 110.723 -178.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.36 75.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.731 176.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.07 -20.27 59.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.085 -0.507 . . . . 20.0 110.559 179.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -67.97 -39.61 83.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.409 -0.814 . . . . 20.0 110.043 175.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -72.76 -26.44 61.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.405 0.622 . . . . 20.0 109.929 177.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.6 -1.53 31.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.447 -0.797 . . . . 20.0 110.892 178.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -61.69 -25.7 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.636 177.273 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.4 mmt -69.23 -15.57 63.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.022 -0.535 . . . . 20.0 111.524 -178.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 . . . . . 0 C--N 1.327 -0.411 0 CA-C-O 121.083 0.468 . . . . 20.0 110.234 177.596 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 N--CA 1.45 -0.444 0 N-CA-C 111.366 0.136 . . . . 20.0 111.366 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -57.68 -43.79 85.34 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.68 0.276 . . . . 20.0 111.362 -177.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 31.3 tt0 -66.59 -42.43 86.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.332 0.587 . . . . 20.0 110.315 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -67.22 -26.06 66.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.951 -179.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.9 m -61.49 -29.81 70.21 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.015 -0.539 . . . . 20.0 111.881 -175.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE2' ' HA ' ' A' ' 18' ' ' GLU . 52.2 p90 -104.93 -33.5 8.34 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.164 -0.614 . . . . 20.0 111.25 177.498 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -66.53 -61.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.982 -0.287 . . . . 20.0 111.703 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 23' ' ' GLU . 4.4 mm-40 -68.27 -34.35 76.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.232 . . . . 20.0 111.171 -176.744 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.86 -56.88 15.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 20.0 110.117 179.007 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.03 -42.8 96.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.349 -179.003 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -60.77 -33.69 73.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 20.0 111.04 -178.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.14 -41.84 97.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.807 0.337 . . . . 20.0 111.338 -179.573 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -78.2 -33.22 50.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.737 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.2 t . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.411 -0.359 . . . . 20.0 111.114 178.462 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 . . . . . 0 N--CA 1.464 0.255 0 N-CA-C 112.05 0.389 . . . . 20.0 112.05 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.13 -41.59 70.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.63 0.253 . . . . 20.0 110.659 177.424 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.4 -29.34 63.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.067 0.461 . . . . 20.0 110.088 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 49' ' ' MET . 90.4 t -62.97 -47.67 91.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.557 . . . . 20.0 110.367 176.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 40.7 mt-10 -76.44 -19.65 57.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.368 -0.378 . . . . 20.0 111.581 -179.461 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -85.19 -67.92 0.76 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.973 0.416 . . . . 20.0 111.197 176.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -83.5 -47.97 10.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 20.0 111.44 -172.832 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 95.4 mmm -72.92 -17.56 61.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.35 -0.386 . . . . 20.0 111.74 -174.26 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . -47.32 -40.89 18.15 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.675 0.62 . . . . 20.0 112.675 -178.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.84 -29.9 69.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.122 0.487 . . . . 20.0 110.933 -177.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -91.12 -26.95 18.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.923 -0.58 . . . . 20.0 110.383 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.02 -27.52 69.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.711 . . . . 20.0 110.237 178.54 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 -21.47 65.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.8 176.257 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -87.8 -36.17 17.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.302 177.086 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 48.6 tpp -78.43 -36.78 45.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.025 -0.534 . . . . 20.0 111.229 -177.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HA ' ' NE ' ' A' ' 57' ' ' ARG . 6.2 tpm_? . . . . . 0 C--N 1.327 -0.373 0 CA-C-O 121.26 0.552 . . . . 20.0 110.314 -179.401 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 CA--C 1.536 0.425 0 CA-C-O 121.006 0.432 . . . . 20.0 110.701 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -37.32 81.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.471 0.653 . . . . 20.0 109.445 175.77 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' HD2' ' A' ' 21' ' ' TYR . 35.8 mt-10 -73.98 -16.1 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.39 0.614 . . . . 20.0 110.283 -178.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -85.83 -17.03 36.82 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.491 -0.777 . . . . 20.0 109.456 176.577 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -65.92 -19.57 65.92 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.862 -0.608 . . . . 20.0 111.16 -179.031 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.432 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 97.5 m-85 -64.16 -27.95 69.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.155 0.502 . . . . 20.0 109.904 175.779 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -73.47 -34.03 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 20.0 109.884 175.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -71.13 -44.45 65.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.558 -0.746 . . . . 20.0 109.696 179.68 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -67.25 -17.69 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.652 -0.703 . . . . 20.0 111.148 178.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 tt -57.64 -41.92 82.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.301 178.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.463 ' H ' ' HD2' ' A' ' 26' ' ' ARG . 3.0 mpt_? -68.9 -28.84 67.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.318 0.58 . . . . 20.0 109.724 179.314 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.93 -0.07 26.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.469 -0.787 . . . . 20.0 111.347 -178.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -87.04 -25.08 24.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.062 0.458 . . . . 20.0 109.941 175.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p . . . . . 0 C--N 1.326 -0.456 0 CA-C-O 121.249 0.547 . . . . 20.0 110.147 177.395 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 CA--C 1.522 -0.116 0 N-CA-C 111.92 0.341 . . . . 20.0 111.92 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.672 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 28.5 t70 -63.87 -42.34 97.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 20.0 110.221 -178.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -56.16 -43.45 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.8 -0.637 . . . . 20.0 111.229 178.182 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.87 -42.15 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.46 -178.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.72 -35.43 76.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 20.0 110.447 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 25.6 mmt180 -58.84 -45.35 90.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 20.0 110.922 179.361 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.4 -38.04 89.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.974 0.416 . . . . 20.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.7 mtt -69.84 -41.47 74.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.237 179.045 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.41 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.609 -0.723 . . . . 20.0 111.251 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 43.1 mt-10 -63.24 -26.38 68.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.048 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -78.35 -47.18 18.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.218 -0.446 . . . . 20.0 109.942 176.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.485 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 36.5 m-85 -67.05 -34.45 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 20.0 111.029 -179.05 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.67 92.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.369 -0.378 . . . . 20.0 111.173 179.49 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -68.12 -26.04 65.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.216 0.531 . . . . 20.0 110.307 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.8 ttp -70.3 -17.49 63.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.64 -0.709 . . . . 20.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 53' ' ' PHE . 2.8 mpt_? . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.334 176.108 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 121.129 0.49 . . . . 20.0 110.147 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.28 -37.11 81.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.488 -0.778 . . . . 20.0 110.903 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.87 -38.39 88.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 20.0 110.292 -178.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -68.01 -31.36 70.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.756 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -71.52 -37.8 71.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.158 0.504 . . . . 20.0 109.807 175.289 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.509 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 83.6 t80 -67.34 -36.1 80.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.027 178.355 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.404 ' HA ' HD12 ' A' ' 25' ' ' LEU . 25.2 t-20 -58.81 -33.68 70.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.451 -0.795 . . . . 20.0 111.192 178.713 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.77 -34.46 78.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.307 -0.406 . . . . 20.0 110.751 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 16.7 m0 -76.66 -22.55 53.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.141 -0.482 . . . . 20.0 110.796 -179.708 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 22' ' ' ASN . 91.5 mt -66.37 -22.04 66.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 20.0 110.956 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -65.3 -19.85 66.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 20.0 110.739 178.289 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.99 -15.37 32.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 20.0 111.196 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -74.43 -34.76 63.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.708 -176.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--N 1.326 -0.428 0 CA-C-O 121.352 0.596 . . . . 20.0 110.516 178.992 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 11.3 p-80 . . . . . 0 C--O 1.227 -0.101 0 CA-C-O 120.622 0.249 . . . . 20.0 110.697 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -68.24 -22.2 64.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.381 -0.372 . . . . 20.0 110.906 177.194 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 10.4 mm-40 -70.96 -40.54 71.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.36 -0.607 . . . . 20.0 109.36 174.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.53 -35.09 71.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.424 -0.807 . . . . 20.0 110.212 177.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 14.7 mm-40 -57.79 -44.38 86.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 20.0 110.959 178.105 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.606 ' HA ' ' HB2' ' A' ' 51' ' ' GLU . 18.2 ptt180 -80.77 -19.18 45.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.346 -0.541 . . . . 20.0 111.442 -177.664 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 2.7 mmp_? -60.2 -53.36 58.63 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.72 -0.474 . . . . 20.0 109.72 173.1 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.402 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 22.6 ptp -92.13 -53.73 4.13 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.052 0.76 . . . . 20.0 113.052 -177.449 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 49' ' ' MET . . . -91.87 -65.18 1.03 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.297 0.851 . . . . 20.0 113.297 -169.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . 28.9 mt-10 -62.45 -17.01 58.44 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.104 0.409 . . . . 20.0 112.104 -169.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HD3' ' O ' ' A' ' 48' ' ' ARG . 34.4 ptt180 -54.22 -27.91 37.67 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.697 0.284 . . . . 20.0 110.713 175.084 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.609 ' O ' ' HG3' ' A' ' 56' ' ' MET . 33.0 t80 -63.39 -44.02 95.92 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.983 -0.377 . . . . 20.0 109.983 176.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.14 -37.26 83.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.283 0.564 . . . . 20.0 109.98 175.653 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.23 -39.73 87.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.223 -0.898 . . . . 20.0 111.299 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.609 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 5.5 ppp? -78.28 -21.1 50.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.739 0.304 . . . . 20.0 110.943 -179.675 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 84.6 mtp180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 20.0 110.69 178.621 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.181 0 N-CA-C 111.792 0.293 . . . . 20.0 111.792 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 20' ' ' SER . 15.8 mm100 -67.33 -15.51 63.73 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.044 0.387 . . . . 20.0 112.044 -175.82 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -67.55 -47.66 69.2 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.763 -0.458 . . . . 20.0 109.763 177.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -86.49 -29.14 22.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.998 -0.547 . . . . 20.0 110.89 179.139 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 17' ' ' GLN . 19.2 m -70.8 -17.06 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.707 -0.224 . . . . 20.0 110.992 179.627 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -66.24 -37.44 85.53 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.541 -0.54 . . . . 20.0 109.541 174.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.6 t-20 -61.25 -43.78 98.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.783 -0.644 . . . . 20.0 109.602 175.784 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -64.38 -53.97 40.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.807 -0.633 . . . . 20.0 110.822 177.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.462 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 54.5 t90 -61.67 -38.12 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 20.0 111.635 -175.764 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.97 -44.55 97.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 20.0 110.998 -177.062 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 18.3 ptt180 -85.88 -9.85 56.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.004 0.43 . . . . 20.0 111.057 179.377 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.92 -6.29 58.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.825 176.233 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 29.3 mtpp -65.43 -17.85 64.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 20.0 111.092 178.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.305 0.574 . . . . 20.0 110.354 177.912 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 . . . . . 0 CA--C 1.519 -0.221 0 CA-C-O 121.205 0.526 . . . . 20.0 110.114 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.565 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 15.9 m-20 -67.16 -23.08 65.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.421 -0.809 . . . . 20.0 110.166 175.134 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.42 -37.72 84.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.683 -0.69 . . . . 20.0 110.4 -179.643 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.71 -42.78 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.705 -0.68 . . . . 20.0 110.193 177.767 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -63.45 -37.61 87.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 20.0 110.622 179.136 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 42.1 mtp-105 -62.2 -47.82 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.952 0.406 . . . . 20.0 110.397 178.623 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -71.5 -33.19 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 20.0 110.917 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 46.4 tpp -68.22 -34.52 76.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.182 0.515 . . . . 20.0 109.706 177.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.53 96.01 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.826 -0.624 . . . . 20.0 110.218 174.378 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.21 -46.8 88.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.633 . . . . 20.0 110.073 175.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.58 -49.81 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.317 -0.856 . . . . 20.0 110.471 -177.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.33 -40.6 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 20.0 111.143 -178.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.76 -53.15 36.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.986 -0.552 . . . . 20.0 111.742 -176.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -80.69 -12.13 59.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.518 -0.31 . . . . 20.0 111.706 -174.583 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.4 ttp -62.7 -43.84 97.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.013 0.435 . . . . 20.0 110.388 177.66 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 . . . . . 0 C--N 1.323 -0.556 0 CA-C-N 115.772 -0.649 . . . . 20.0 109.937 176.703 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.784 0.326 . . . . 20.0 111.08 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.64 -39.03 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 20.0 111.142 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -78.13 -29.08 48.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.264 0.554 . . . . 20.0 109.932 -179.27 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -25.21 67.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.64 -0.709 . . . . 20.0 111.337 -179.144 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.0 p -61.2 -48.16 82.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.859 0.362 . . . . 20.0 110.026 -179.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -59.28 -37.83 78.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.221 178.316 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -67.11 -43.94 81.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.453 -0.794 . . . . 20.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -68.1 -42.85 79.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.106 -177.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -67.11 -28.05 67.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 20.0 110.855 177.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 58.7 tp -74.13 -36.06 64.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.195 0.521 . . . . 20.0 109.79 176.68 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.461 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 3.1 tmt_? -74.44 -31.99 62.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.779 -0.646 . . . . 20.0 109.798 178.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.87 92.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.918 -0.583 . . . . 20.0 112.073 -178.188 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -72.72 -20.57 61.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 20.0 110.556 -178.832 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.024 176.654 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.453 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 13.9 p-80 . . . . . 0 C--O 1.227 -0.086 0 CA-C-O 120.624 0.249 . . . . 20.0 110.692 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -62.35 -39.72 94.04 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.09 0.471 . . . . 20.0 110.12 175.275 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -73.69 -37.98 65.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.476 -0.784 . . . . 20.0 110.234 -178.648 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.28 -42.1 86.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.245 179.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 48.8 mt-10 -58.11 -44.5 87.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.206 0.527 . . . . 20.0 110.963 176.818 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -74.32 -31.37 62.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.548 -177.003 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -74.43 -43.05 57.99 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.747 -0.66 . . . . 20.0 109.973 178.626 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.8 tpp -68.68 -24.12 64.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.707 -178.147 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -57.57 -32.81 67.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 20.0 110.958 176.809 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.56 -23.34 53.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.039 178.493 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -81.4 -19.04 43.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.133 0.492 . . . . 20.0 109.896 179.322 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.496 ' O ' ' HG2' ' A' ' 56' ' ' MET . 20.9 m-85 -73.6 -9.32 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.83 -0.623 . . . . 20.0 111.055 177.614 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.43 -15.26 10.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 20.0 112.065 -178.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -63.89 -17.34 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 20.0 111.261 178.381 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 25.2 ptt? -71.31 7.05 1.44 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.156 0.503 . . . . 20.0 111.257 178.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? . . . . . 0 C--N 1.322 -0.611 0 N-CA-C 109.137 -0.69 . . . . 20.0 109.137 171.856 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 . . . . . 0 N--CA 1.461 0.085 0 CA-C-O 120.762 0.315 . . . . 20.0 111.715 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -65.98 -24.59 66.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.469 -0.332 . . . . 20.0 110.627 178.441 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -70.68 -7.09 42.0 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.358 0.599 . . . . 20.0 110.142 -178.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.62 -22.59 65.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.93 -0.396 . . . . 20.0 109.93 174.013 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' ' HD1' ' A' ' 24' ' ' TRP . 14.3 t -70.45 -20.79 62.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 20.0 109.926 178.757 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.477 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 92.4 t80 -59.96 -32.2 70.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.267 176.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.02 -30.87 71.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.791 -0.64 . . . . 20.0 110.555 178.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.07 -42.13 89.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 20.0 110.045 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.438 ' HD1' ' O ' ' A' ' 20' ' ' SER . 58.0 m95 -66.82 -25.14 66.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.817 -0.629 . . . . 20.0 110.532 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 21' ' ' TYR . 84.4 mt -75.81 -47.69 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.979 -0.555 . . . . 20.0 110.038 176.427 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -65.91 -29.58 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 20.0 111.083 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.98 96.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.131 0.491 . . . . 20.0 110.398 175.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -71.68 -39.05 70.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.615 -0.72 . . . . 20.0 110.83 178.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 25' ' ' LEU . 84.4 t . . . . . 0 C--N 1.328 -0.354 0 CA-C-O 121.011 0.434 . . . . 20.0 111.03 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.6 m170 . . . . . 0 CA--C 1.522 -0.115 0 CA-C-O 120.525 0.202 . . . . 20.0 110.98 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.05 -26.97 64.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.855 0.359 . . . . 20.0 110.138 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -75.22 -33.85 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.241 0.544 . . . . 20.0 110.683 176.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 49' ' ' MET . 60.4 t -74.15 -44.59 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.8 -0.636 . . . . 20.0 110.295 179.128 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.47 -42.89 99.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.497 -0.774 . . . . 20.0 111.424 -178.61 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -69.07 -22.42 64.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 20.0 110.837 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -81.15 -29.64 34.66 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.499 -0.556 . . . . 20.0 109.499 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.3 mmt -66.13 -28.46 68.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.657 -0.701 . . . . 20.0 110.266 175.595 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.37 90.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.767 177.38 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -67.08 -34.13 77.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 20.0 110.467 177.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.43 -33.19 73.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.993 -0.548 . . . . 20.0 110.781 178.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -62.08 -32.9 73.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.148 0.499 . . . . 20.0 110.497 177.694 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.9 -33.38 75.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.939 -0.573 . . . . 20.0 110.374 177.351 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -83.67 -22.31 32.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.309 177.083 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.9 tmt? -65.07 -46.81 79.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 20.0 109.547 174.439 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 . . . . . 0 C--N 1.33 -0.248 0 N-CA-C 109.518 -0.549 . . . . 20.0 109.518 176.787 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.77 0.319 . . . . 20.0 110.604 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -70.28 -45.03 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 20.0 110.239 -179.089 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.48 -36.26 83.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.511 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -68.07 -37.03 80.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.47 176.015 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -67.96 -21.94 65.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.146 0.498 . . . . 20.0 110.549 178.158 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -85.65 -41.91 14.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.93 -0.577 . . . . 20.0 109.872 177.762 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.71 -37.39 84.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 20.0 111.195 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.79 -34.46 77.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.903 0.382 . . . . 20.0 110.274 179.08 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -67.75 -40.48 84.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.989 -0.551 . . . . 20.0 109.993 176.466 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.57 -31.37 72.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.26 0.552 . . . . 20.0 110.425 177.712 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -76.58 -29.55 56.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.69 179.193 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.62 -31.69 20.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.569 -177.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -69.73 -69.56 0.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.423 -0.353 . . . . 20.0 110.654 -178.537 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t . . . . . 0 C--N 1.326 -0.419 0 C-N-CA 120.857 -0.337 . . . . 20.0 110.695 177.365 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 . . . . . 0 N--CA 1.461 0.096 0 CA-C-O 120.857 0.36 . . . . 20.0 110.475 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.45 -35.1 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.398 178.862 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -66.74 -46.67 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.638 -0.71 . . . . 20.0 109.895 178.587 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.16 -49.05 84.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.48 -0.782 . . . . 20.0 110.706 -179.666 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.41 -35.85 80.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.887 -176.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 47' ' ' ARG . 1.3 tpm_? -62.6 -48.97 77.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.959 -0.564 . . . . 20.0 110.153 178.693 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -73.58 -26.56 60.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 20.0 110.638 -179.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.41 ' HA ' ' HB3' ' A' ' 52' ' ' ARG . 49.4 tpp -64.57 -35.73 81.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.578 . . . . 20.0 111.021 -179.449 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.07 84.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.068 0.461 . . . . 20.0 110.663 178.625 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.49 -22.13 28.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 20.0 110.29 178.092 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HB3' ' HA ' ' A' ' 49' ' ' MET . 26.0 tpt180 -64.43 -33.79 76.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 20.0 110.056 177.361 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -56.4 -39.71 73.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.362 177.462 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.24 -30.64 54.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.013 -0.54 . . . . 20.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -78.28 -28.18 47.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.167 0.508 . . . . 20.0 110.724 -178.492 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.5 tpt -89.94 10.0 25.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.322 0.582 . . . . 20.0 110.39 -179.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.295 179.195 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.98 0.419 . . . . 20.0 110.444 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.25 -43.18 98.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.309 179.68 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.92 -41.48 97.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.945 -0.571 . . . . 20.0 110.468 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -30.09 70.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 20.0 110.554 177.259 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 m -69.34 -41.25 76.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.099 -0.501 . . . . 20.0 109.936 176.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -61.82 -43.27 99.18 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.514 -0.312 . . . . 20.0 110.369 176.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.1 -35.58 77.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 20.0 110.421 177.127 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -68.11 -37.72 81.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.294 -179.064 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -71.4 -33.53 69.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 20.0 110.588 177.008 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.54 -41.12 96.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.339 0.59 . . . . 20.0 109.462 174.773 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -61.36 -41.38 96.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.167 -0.924 . . . . 20.0 110.427 176.083 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.08 79.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -69.0 -52.09 32.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.803 179.137 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 20.0 111.476 -175.734 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.523 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 14.5 t-80 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 120.387 0.137 . . . . 20.0 110.975 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -62.31 -40.57 96.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.471 -0.332 . . . . 20.0 110.935 -179.205 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 59.2 mm-40 -62.9 -44.21 96.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.016 176.824 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.9 t -57.08 -50.9 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.81 179.541 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 35.0 mt-10 -60.36 -46.37 90.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.334 -0.393 . . . . 20.0 111.469 -177.335 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -69.38 -44.68 71.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.228 -0.442 . . . . 20.0 111.24 -177.771 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 44' ' ' GLU . 2.7 mpt_? -74.64 -28.26 60.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.331 -0.395 . . . . 20.0 111.307 -176.492 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.436 ' HA ' ' HB2' ' A' ' 53' ' ' PHE . 45.3 ttm -65.44 -38.04 88.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.257 0.551 . . . . 20.0 110.213 177.355 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.73 -51.97 14.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.405 -0.816 . . . . 20.0 111.275 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.93 -66.08 0.96 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.044 0.387 . . . . 20.0 112.044 -174.178 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -64.6 -61.84 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.566 0.58 . . . . 20.0 112.566 -172.088 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 56' ' ' MET . 46.7 m-85 -60.27 -35.29 75.19 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.221 0.452 . . . . 20.0 112.221 -172.248 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.61 80.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.848 0.356 . . . . 20.0 111.001 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -76.74 -31.14 56.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.9 0.381 . . . . 20.0 110.351 179.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.462 ' HB3' ' HA ' ' A' ' 53' ' ' PHE . 21.8 ttt -60.88 -39.19 88.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 20.0 110.964 177.837 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.396 . . . . 20.0 110.372 177.252 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.332 0 N-CA-C 112.126 0.417 . . . . 20.0 112.126 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.32 -27.49 68.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.937 0.347 . . . . 20.0 111.937 -174.005 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -74.11 -46.66 41.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.006 0.432 . . . . 20.0 109.849 178.499 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -68.14 -35.57 78.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.565 179.558 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.1 m -63.98 -34.51 78.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.673 178.55 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.07 -32.67 70.86 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.758 -0.46 . . . . 20.0 109.758 179.246 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -69.83 -32.45 70.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 20.0 109.924 177.464 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.51 -35.68 78.39 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.209 -0.451 . . . . 20.0 110.441 175.127 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.504 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 11.8 m95 -71.02 -35.4 72.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.072 -0.513 . . . . 20.0 110.334 176.466 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -40.35 85.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.342 0.591 . . . . 20.0 109.564 178.239 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -66.71 -27.47 67.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.688 177.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.5 0.05 44.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 20.0 111.388 -178.621 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 68.1 mttm -86.93 -11.95 49.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 20.0 110.957 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.037 -0.529 . . . . 20.0 109.758 176.428 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 . . . . . 0 CA--C 1.522 -0.126 0 N-CA-C 111.644 0.239 . . . . 20.0 111.644 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.47 -35.24 77.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.982 0.42 . . . . 20.0 110.738 -178.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -79.21 -39.07 34.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.023 -0.535 . . . . 20.0 110.434 178.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.12 -51.61 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 20.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -60.42 -26.24 66.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.47 . . . . 20.0 111.235 179.919 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -80.57 -50.08 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.163 -0.471 . . . . 20.0 110.801 -179.122 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 75.9 ttt180 -75.11 -40.42 59.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 20.0 111.046 -176.162 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.5 ttm -62.91 -26.64 68.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 20.0 110.441 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.15 78.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.619 176.004 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -84.3 -27.08 28.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.741 -0.663 . . . . 20.0 109.567 179.519 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 31.1 mmm180 -76.43 -19.13 58.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.274 -0.875 . . . . 20.0 110.58 179.378 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -46.86 -46.53 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.445 0.698 . . . . 20.0 112.313 -174.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.71 -48.2 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.761 0.315 . . . . 20.0 111.377 -178.463 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -71.29 -26.13 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.302 0.573 . . . . 20.0 110.847 -177.738 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.3 ttt -68.25 -43.04 78.74 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.294 -0.866 . . . . 20.0 110.843 178.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 . . . . . 0 C--N 1.324 -0.539 0 CA-C-N 115.989 -0.55 . . . . 20.0 111.043 -174.838 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.828 0.347 . . . . 20.0 111.486 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.48 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -68.94 -39.08 79.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.296 -0.411 . . . . 20.0 110.884 -176.542 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.52 -40.36 73.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.545 -0.298 . . . . 20.0 111.124 -175.799 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -70.61 -27.98 64.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.329 -0.248 . . . . 20.0 110.329 179.738 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.7 m -64.85 -39.48 93.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.977 0.417 . . . . 20.0 110.603 178.075 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.48 ' HD1' ' O ' ' A' ' 17' ' ' GLN . 62.0 m-85 -78.65 -24.4 45.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.464 176.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.77 -48.07 41.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.094 -0.503 . . . . 20.0 110.425 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 24' ' ' TRP . 9.3 pt-20 -61.62 -41.12 97.03 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.076 0.465 . . . . 20.0 110.339 177.434 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.431 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 67.9 t-105 -65.33 -37.58 87.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.692 -0.685 . . . . 20.0 110.665 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 29' ' ' VAL . 34.0 tp -66.52 -40.7 89.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.365 -0.379 . . . . 20.0 110.168 179.13 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -59.52 -42.75 92.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.599 177.244 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.07 -34.59 77.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.929 179.268 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -78.03 -51.63 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 20.0 111.344 -178.867 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 25' ' ' LEU . 9.2 p . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 112.06 0.393 . . . . 20.0 112.06 -171.884 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.85 0.357 . . . . 20.0 110.752 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.05 -28.21 62.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.402 -179.72 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 34.3 tt0 -77.99 -36.71 48.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.005 -0.543 . . . . 20.0 110.364 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.7 t -75.43 -48.22 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 20.0 110.717 179.255 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -59.72 -34.92 73.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 20.0 111.762 -174.809 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 19.7 ptp180 -66.45 -33.96 76.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.794 0.33 . . . . 20.0 110.613 -179.077 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -85.95 -32.52 21.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.241 0.543 . . . . 20.0 110.09 178.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.7 tpp -66.58 -30.45 70.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.378 -0.828 . . . . 20.0 110.513 -179.272 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.25 78.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.778 -0.646 . . . . 20.0 111.323 177.794 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.41 -35.24 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.371 179.698 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -60.09 -45.66 92.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.852 -0.613 . . . . 20.0 110.406 178.317 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.27 -40.57 96.68 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.854 -0.612 . . . . 20.0 110.43 178.574 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.69 90.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.096 -0.502 . . . . 20.0 111.263 -178.729 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 10.9 mmpt? -71.14 -33.75 70.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.59 -178.053 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 ptm -84.74 -15.53 44.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.04 0.448 . . . . 20.0 110.579 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.554 . . . . 20.0 110.624 179.841 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 N--CA 1.463 0.213 0 N-CA-C 112.324 0.491 . . . . 20.0 112.324 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -77.34 -15.88 59.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.463 0.542 . . . . 20.0 112.463 -179.679 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -84.81 0.62 50.17 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.744 -0.383 . . . . 20.0 110.59 -178.335 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.45 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 5.5 p30 -61.21 -32.27 72.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 20.0 110.224 -178.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 p -72.82 -27.38 61.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.876 -0.602 . . . . 20.0 111.289 -177.326 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.47 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 77.5 t80 -62.36 -43.29 99.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.604 -178.451 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -69.56 -31.76 70.14 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.417 -0.586 . . . . 20.0 109.417 178.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 19' ' ' ASN . 31.6 mm-40 -63.5 -42.9 98.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.815 -0.63 . . . . 20.0 110.496 177.47 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.47 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 17.4 m0 -66.25 -35.55 80.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.681 179.113 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.63 -38.66 80.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 20.0 110.355 178.129 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -62.8 -27.63 69.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.794 179.241 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.31 -30.62 17.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 20.0 111.244 179.126 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -67.11 -26.15 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.88 -0.6 . . . . 20.0 111.342 -176.146 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 121.304 0.573 . . . . 20.0 110.683 179.887 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 p80 . . . . . 0 C--O 1.232 0.156 0 N-CA-C 109.741 -0.466 . . . . 20.0 109.741 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -60.94 -24.04 65.75 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.744 -0.662 . . . . 20.0 110.914 177.342 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.77 -44.04 85.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 20.0 110.81 178.312 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.2 t -68.5 -44.99 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 20.0 110.529 -179.428 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.45 -41.72 98.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.726 -0.67 . . . . 20.0 110.394 -178.522 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -64.44 -35.8 82.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.223 0.535 . . . . 20.0 110.451 178.377 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -72.37 -39.26 68.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.482 -0.781 . . . . 20.0 110.743 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 42.3 tpp -76.74 -40.93 46.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.839 -177.438 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.44 62.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 20.0 111.72 -177.402 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -54.41 -35.29 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.127 -0.488 . . . . 20.0 111.501 -178.36 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -84.98 -26.94 26.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.865 0.364 . . . . 20.0 111.267 -177.703 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -85.43 -42.83 14.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.475 -0.33 . . . . 20.0 111.251 -176.859 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.99 79.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.02 -0.536 . . . . 20.0 111.652 -175.137 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.73 -33.77 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.407 -0.36 . . . . 20.0 111.273 -178.203 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 58.8 ttp -70.29 -35.19 73.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 20.0 110.371 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.555 . . . . 20.0 110.822 179.405 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.108 0 CA-C-O 120.619 0.247 . . . . 20.0 111.351 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -74.93 -34.82 62.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.423 -178.208 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -79.33 -28.09 42.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.203 0.525 . . . . 20.0 109.697 -178.844 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -70.4 -17.27 63.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 20.0 110.686 174.531 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -69.64 -25.7 64.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.223 0.535 . . . . 20.0 109.606 176.024 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.478 ' HA ' ' HB3' ' A' ' 24' ' ' TRP . 54.2 m-85 -72.42 -18.24 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.4 177.504 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -70.78 -39.88 72.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.229 -0.656 . . . . 20.0 109.229 176.064 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -36.51 65.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.064 175.366 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.478 ' HB3' ' HA ' ' A' ' 21' ' ' TYR . 67.0 t-105 -59.91 -28.86 67.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.758 -0.655 . . . . 20.0 110.713 175.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 25' ' ' LEU . 3.0 tm? -58.93 -38.59 79.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.795 -0.446 . . . . 20.0 109.795 177.141 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -77.97 -21.19 51.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.822 -178.527 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.98 -36.07 16.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.209 -0.451 . . . . 20.0 111.131 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.41 -37.66 84.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.823 -0.626 . . . . 20.0 111.026 -177.358 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 121.085 0.469 . . . . 20.0 110.908 179.751 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 p80 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 121.117 0.484 . . . . 20.0 109.908 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.59 -35.79 75.0 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.61 -0.723 . . . . 20.0 110.272 176.404 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -56.96 -40.92 77.37 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.537 0.684 . . . . 20.0 110.065 177.288 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.7 t -71.79 -56.28 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.057 -0.974 . . . . 20.0 110.604 -178.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.76 -35.25 68.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.919 -0.582 . . . . 20.0 111.441 -177.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 14.1 ttm180 -63.08 -51.27 67.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 20.0 111.401 -178.57 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -77.47 -36.46 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.154 -175.418 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -39.16 89.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.586 -0.279 . . . . 20.0 110.551 176.323 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.26 -37.5 80.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 20.0 110.935 177.442 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 43.2 mt-10 -65.06 -35.44 81.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.107 178.763 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -72.71 -44.97 61.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.577 -0.738 . . . . 20.0 110.802 178.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -63.85 -39.51 94.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.495 -0.321 . . . . 20.0 110.75 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.4 -24.0 67.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.967 0.413 . . . . 20.0 111.06 178.911 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -90.22 -52.76 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.937 -0.574 . . . . 20.0 111.151 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 59.9 ttp -79.6 -46.33 17.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.451 -0.341 . . . . 20.0 111.633 -173.537 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 . . . . . 0 C--N 1.326 -0.427 0 N-CA-C 108.927 -0.768 . . . . 20.0 108.927 179.239 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 N--CA 1.449 -0.507 0 CA-C-O 121.052 0.453 . . . . 20.0 110.205 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tp60 -65.44 -28.98 69.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.947 -0.57 . . . . 20.0 109.926 175.69 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -66.29 -41.16 90.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.208 179.24 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.85 -40.52 54.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.499 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -70.24 -12.46 61.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.023 0.439 . . . . 20.0 111.172 179.243 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -77.13 -18.3 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.007 0.432 . . . . 20.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -62.48 -37.47 86.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.593 178.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -60.07 -37.71 80.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.726 176.597 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -66.64 -44.18 82.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.956 -0.566 . . . . 20.0 109.851 178.327 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 29' ' ' VAL . 96.4 mt -61.41 -47.33 86.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.513 177.415 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -55.27 -42.46 73.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 20.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.22 86.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.93 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -74.98 -35.06 62.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.68 -178.666 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 25' ' ' LEU . 84.2 t . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.22 0.533 . . . . 20.0 110.288 176.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 23.1 m170 . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 120.66 0.267 . . . . 20.0 111.131 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -70.67 -38.7 73.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.996 -0.547 . . . . 20.0 110.88 -178.186 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.14 -23.49 54.82 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.557 -0.457 . . . . 20.0 110.153 -177.79 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.58 -45.91 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.211 -0.663 . . . . 20.0 109.211 174.006 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 38.4 mt-10 -60.04 -42.35 94.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.308 -0.86 . . . . 20.0 110.244 176.283 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -64.56 -40.8 96.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.03 -0.532 . . . . 20.0 111.563 -179.07 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -68.54 -42.69 78.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.741 -0.209 . . . . 20.0 111.466 -178.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 17.0 ptp -71.54 -32.99 68.77 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.492 -0.483 . . . . 20.0 110.64 178.662 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.26 -51.05 71.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.707 0.289 . . . . 20.0 111.362 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.16 -19.76 64.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.83 -178.79 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -75.97 -41.62 50.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.259 -0.428 . . . . 20.0 109.911 176.356 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -70.54 -29.39 65.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.208 0.528 . . . . 20.0 110.222 177.052 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.09 -21.53 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.441 -0.799 . . . . 20.0 111.601 -178.107 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -66.93 -23.27 65.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.852 179.241 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 56.4 ttm -83.82 -14.12 52.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.15 0.5 . . . . 20.0 110.187 178.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 77.9 ttt180 . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 20.0 110.086 179.294 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 19' ' ' ASN . 74.5 mm-40 . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.788 0.327 . . . . 20.0 110.954 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 17' ' ' GLN . 17.7 mm-40 -64.7 -33.85 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.082 0.467 . . . . 20.0 110.125 176.212 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -89.57 -31.45 17.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.749 -0.66 . . . . 20.0 109.668 178.148 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.465 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . 65.8 t30 -66.55 -20.29 65.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.48 -0.782 . . . . 20.0 110.221 178.001 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.3 m -60.28 -28.57 68.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 20.0 110.681 176.033 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -73.88 -33.7 64.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 20.0 110.216 177.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.99 -41.71 90.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.457 -178.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.86 -30.26 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.509 . . . . 20.0 110.435 179.274 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -69.01 -43.09 75.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.57 -0.741 . . . . 20.0 110.243 175.896 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.8 tp -74.38 -31.54 62.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.944 -0.571 . . . . 20.0 110.749 -178.34 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 26' ' ' ARG . 17.9 ttm-85 -51.74 -53.79 35.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.625 -0.716 . . . . 20.0 111.628 -178.531 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -9.87 59.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.058 -0.519 . . . . 20.0 111.65 -175.169 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -90.29 -45.65 8.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.153 -0.476 . . . . 20.0 110.972 -178.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.705 -175.596 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.584 ' O ' HG12 ' A' ' 45' ' ' VAL . 42.1 t-80 . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.818 0.342 . . . . 20.0 110.784 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -80.6 -8.77 59.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.877 0.37 . . . . 20.0 110.839 177.178 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.65 -29.03 56.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.406 -0.361 . . . . 20.0 110.854 -178.416 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 42' ' ' HIS . 14.0 p -68.9 -25.93 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.923 0.392 . . . . 20.0 109.983 176.871 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.83 -48.69 68.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.077 0.465 . . . . 20.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -72.76 -34.95 67.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.696 -179.218 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -74.76 -34.83 62.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.877 -177.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 46.3 ttm -63.82 -32.79 74.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 20.0 110.508 -179.559 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -33.46 75.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.232 0.539 . . . . 20.0 110.644 178.192 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 41.6 mt-10 -72.56 -29.63 63.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.594 -0.73 . . . . 20.0 110.282 178.264 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -63.59 -41.37 98.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 20.0 109.845 177.276 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -69.26 -32.71 72.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.724 -0.671 . . . . 20.0 110.703 176.796 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.7 -14.52 61.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 20.0 111.205 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 68.6 mttm -68.0 -25.48 65.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.992 0.425 . . . . 20.0 110.283 175.384 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 31.6 mmt -77.91 -1.03 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.651 -178.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 C--N 1.323 -0.569 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.267 179.001 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.142 0 N-CA-C 112.204 0.446 . . . . 20.0 112.204 . . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.36 -19.88 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.969 0.414 . . . . 20.0 111.26 -179.022 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.72 -24.76 33.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.588 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.48 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 9.6 m120 -61.57 -24.66 66.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.404 -0.362 . . . . 20.0 111.693 -171.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.5 p -72.21 -47.29 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.147 0.499 . . . . 20.0 110.844 178.838 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -80.57 -34.82 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.843 -0.617 . . . . 20.0 110.734 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -56.88 -37.73 71.77 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.919 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -64.02 -46.11 85.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 20.0 110.616 179.499 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -71.58 -35.6 70.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.477 -178.377 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 29' ' ' VAL . 49.6 tp -71.88 -33.38 68.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.022 -0.536 . . . . 20.0 110.137 178.312 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -57.93 -27.62 63.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.595 -0.729 . . . . 20.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.98 -37.95 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.931 0.396 . . . . 20.0 110.983 178.835 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -90.22 -30.04 17.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 20.0 110.685 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 25' ' ' LEU . 84.6 t . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 20.0 111.116 -178.81 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.442 0.163 . . . . 20.0 111.203 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -73.27 -34.81 66.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.292 0.568 . . . . 20.0 109.632 173.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.9 -36.85 80.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.297 -0.865 . . . . 20.0 110.333 -179.081 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.36 -44.34 92.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.874 -0.603 . . . . 20.0 110.505 177.891 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -61.39 -37.13 82.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.028 0.442 . . . . 20.0 110.286 178.424 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -65.64 -47.25 76.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.037 -179.84 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HD3' ' SD ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -73.59 -19.95 60.74 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.743 -0.383 . . . . 20.0 111.028 -179.07 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.408 ' SD ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -68.34 -38.99 82.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.046 0.451 . . . . 20.0 109.964 171.765 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.8 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.255 176.357 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.609 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 43.9 mt-10 -63.51 -41.98 98.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.414 -0.812 . . . . 20.0 110.176 176.862 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -57.17 -45.14 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.906 177.766 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -64.55 -38.0 89.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.201 0.524 . . . . 20.0 110.101 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.16 88.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.79 -0.641 . . . . 20.0 111.183 179.701 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 96.3 mttt -60.64 -32.17 71.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.48 . . . . 20.0 110.998 179.398 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.8 ttp -62.86 -38.55 91.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.526 . . . . 20.0 111.058 -177.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 20.0 110.858 -179.566 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.724 0.297 . . . . 20.0 110.2 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -55.77 -43.17 76.47 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.142 -0.481 . . . . 20.0 110.287 178.458 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -70.12 -38.64 75.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.921 -0.581 . . . . 20.0 110.061 179.411 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.99 -30.31 71.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.302 -0.408 . . . . 20.0 111.007 179.246 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 t -77.09 -52.04 10.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.389 -0.369 . . . . 20.0 111.253 -178.688 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -92.97 -49.17 6.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.333 0.494 . . . . 20.0 112.333 -173.279 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -74.93 -12.11 60.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.064 0.394 . . . . 20.0 112.064 -169.414 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.3 -36.55 73.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.059 0.457 . . . . 20.0 110.454 179.266 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -87.16 -27.45 23.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.142 0.496 . . . . 20.0 110.827 178.788 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.8 tp -71.19 -30.3 66.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.818 -0.628 . . . . 20.0 110.461 178.919 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -54.91 -30.7 58.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.712 -0.676 . . . . 20.0 111.43 -176.5 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.97 -39.79 25.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 20.0 111.077 179.387 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.8 tttp -79.88 -29.02 39.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.179 -0.464 . . . . 20.0 111.025 -174.725 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 C--N 1.323 -0.564 0 CA-C-O 121.113 0.482 . . . . 20.0 110.408 179.474 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.573 0.225 . . . . 20.0 110.665 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.574 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 32.6 t70 -65.62 -40.26 92.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.515 -0.311 . . . . 20.0 110.343 177.235 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.2 -39.83 95.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.972 0.415 . . . . 20.0 109.979 177.37 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.77 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.6 -0.727 . . . . 20.0 110.451 177.858 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.3 -36.6 81.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.164 -0.471 . . . . 20.0 110.351 177.458 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 49.7 mtm-85 -69.07 -28.35 66.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.124 0.487 . . . . 20.0 109.744 176.137 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -75.47 -36.4 60.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.614 -0.721 . . . . 20.0 109.991 179.108 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.06 -34.59 75.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.131 176.524 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.41 -29.72 64.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.824 -0.625 . . . . 20.0 110.878 176.523 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.43 -22.22 65.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.597 -0.729 . . . . 20.0 110.664 -179.261 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' A' ' 56' ' ' MET . 10.6 mpt_? -76.02 -47.69 23.87 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.721 -0.474 . . . . 20.0 109.721 174.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -62.48 -34.27 76.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 20.0 110.794 179.575 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.49 77.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.946 -0.57 . . . . 20.0 111.081 177.428 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -82.01 -26.14 34.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.104 -0.498 . . . . 20.0 110.409 178.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.519 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 30.6 mmt -70.06 -27.8 64.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.079 176.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.722 -0.672 . . . . 20.0 110.759 179.333 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.868 0.366 . . . . 20.0 110.485 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.08 -39.54 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.902 -0.59 . . . . 20.0 110.768 -178.771 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -75.8 -37.73 58.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.486 -179.554 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -69.14 -48.18 63.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 20.0 110.873 -176.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.5 m -64.18 -34.56 78.36 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.75 0.31 . . . . 20.0 110.943 -179.116 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -70.78 -44.29 66.95 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.914 -0.402 . . . . 20.0 109.914 177.738 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.46 -39.72 94.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.969 -0.56 . . . . 20.0 110.741 178.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -55.97 -37.43 69.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.521 -0.763 . . . . 20.0 111.036 -179.431 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -90.34 -39.66 12.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.776 179.917 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 tp -62.18 -25.42 67.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.773 -174.759 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 26' ' ' ARG . 22.9 ptt85 -58.6 -24.64 61.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.839 0.352 . . . . 20.0 110.844 179.532 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.06 63.64 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.178 177.093 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -66.24 -39.25 89.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.222 -0.445 . . . . 20.0 110.422 -179.778 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 20.0 111.485 178.508 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 . . . . . 0 N--CA 1.462 0.171 0 N-CA-C 112.644 0.609 . . . . 20.0 112.644 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -77.96 -32.2 51.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.408 0.623 . . . . 20.0 109.921 176.162 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.58 -23.97 36.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.439 -0.801 . . . . 20.0 110.377 -178.873 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 72.1 t -55.86 -36.58 44.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.771 176.146 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.2 -33.64 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.157 0.503 . . . . 20.0 110.64 179.069 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.559 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 3.3 mmp_? -84.47 -40.83 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.889 178.405 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -74.2 -20.59 60.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.097 -176.295 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 54.0 tpp -63.33 -28.94 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.7 179.565 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.2 -25.53 67.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.299 0.571 . . . . 20.0 110.677 176.888 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -92.17 -34.42 14.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.68 . . . . 20.0 111.093 175.878 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 5.7 mmp_? -82.31 -17.91 44.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.796 0.665 . . . . 20.0 112.796 -172.528 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -63.21 -17.65 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.246 0.546 . . . . 20.0 110.592 -179.485 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -67.7 -9.96 48.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.455 -0.793 . . . . 20.0 111.609 179.709 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -79.17 -24.76 43.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.761 0.315 . . . . 20.0 110.505 176.685 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 27.1 ttt -68.87 -22.49 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 20.0 111.7 -172.566 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 15.6 ptm180 . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 20.0 110.421 176.877 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 113.048 0.759 . . . . 20.0 113.048 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -92.5 -73.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.783 0.661 . . . . 20.0 112.783 -175.203 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -91.69 -38.53 12.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.38 0.61 . . . . 20.0 110.958 -174.139 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.463 ' HA ' ' HB3' ' A' ' 22' ' ' ASN . 29.7 m-20 -65.02 -14.93 61.65 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.286 -0.87 . . . . 20.0 111.959 -174.532 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -57.99 -38.63 76.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 20.0 111.184 178.99 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -88.66 -29.1 20.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.575 -0.528 . . . . 20.0 109.575 179.213 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.463 ' HB3' ' HA ' ' A' ' 19' ' ' ASN . 28.0 t-20 -62.98 -24.99 68.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.532 178.102 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 39.6 mt-10 -50.77 -43.91 58.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.49 -0.323 . . . . 20.0 111.528 177.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -74.48 -38.74 62.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.512 -0.313 . . . . 20.0 110.995 -179.011 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.04 -42.57 89.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.657 -0.498 . . . . 20.0 109.657 179.811 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -62.32 -45.79 91.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.451 -0.795 . . . . 20.0 110.678 -178.831 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.6 -24.64 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.092 0.472 . . . . 20.0 111.252 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -79.89 -48.32 13.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.849 -0.614 . . . . 20.0 110.631 -179.28 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 20.0 110.761 179.923 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.519 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 8.4 p-80 . . . . . 0 N--CA 1.457 -0.108 0 N-CA-C 110.313 -0.255 . . . . 20.0 110.313 . . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 11.0 m-20 -59.33 -40.3 85.91 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 109.646 -0.501 . . . . 20.0 109.646 174.39 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 14.6 tp10 -52.56 -45.73 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.334 175.776 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.02 -46.48 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.52 -0.763 . . . . 20.0 111.229 -178.91 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 38.8 mt-10 -61.35 -40.15 93.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 20.0 111.535 -177.165 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 43' ' ' ASP . 3.4 mpt_? -68.39 -21.44 64.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 20.0 110.942 178.551 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 92.9 mtt180 -83.3 -40.61 19.28 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.766 -0.457 . . . . 20.0 109.766 176.627 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.2 mmt -70.46 -21.0 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.756 178.571 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.7 -34.82 65.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 20.0 111.106 176.892 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.08 -26.51 62.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.751 179.617 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -84.45 -25.82 28.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.865 -0.607 . . . . 20.0 109.561 -179.25 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -65.54 -14.63 61.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.27 -0.877 . . . . 20.0 110.385 176.804 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.51 -26.66 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 20.0 110.493 175.226 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -69.51 -25.84 64.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.921 -0.581 . . . . 20.0 110.762 177.479 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 96.4 mmm -73.05 -13.98 61.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.108 0.48 . . . . 20.0 110.451 179.797 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 14.2 tpt180 . . . . . 0 N--CA 1.45 -0.467 0 N-CA-C 109.152 -0.684 . . . . 20.0 109.152 175.111 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 43.5 mt-10 . . . . . 0 N--CA 1.462 0.168 0 N-CA-C 112.094 0.405 . . . . 20.0 112.094 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -65.15 -21.4 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.92 0.391 . . . . 20.0 110.812 178.721 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -81.73 -28.05 33.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.365 0.602 . . . . 20.0 109.654 175.915 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.426 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 17.0 m120 -73.11 -14.96 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.298 -0.865 . . . . 20.0 110.117 178.583 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -63.33 -19.96 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.48 176.046 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.473 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 45.4 t80 -65.24 -50.91 64.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.545 -0.298 . . . . 20.0 110.58 177.858 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.498 ' HA ' HD12 ' A' ' 25' ' ' LEU . 2.8 p-10 -71.76 -22.48 61.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.036 0.446 . . . . 20.0 110.09 178.91 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 7.1 tp10 -61.66 -39.78 92.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.649 . . . . 20.0 109.978 173.025 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -75.88 -29.52 58.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.336 . . . . 20.0 111.007 176.47 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 22' ' ' ASN . 96.5 mt -67.22 -43.53 81.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.53 -0.305 . . . . 20.0 111.015 -178.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.446 ' HD2' ' C ' ' A' ' 26' ' ' ARG . 4.5 ppt_? -66.97 -20.82 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.226 0.536 . . . . 20.0 110.35 178.26 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.22 -21.6 46.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.842 -0.617 . . . . 20.0 110.878 177.78 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -73.71 -46.82 43.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.268 179.44 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.041 176.915 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.7 p80 . . . . . 0 N--CA 1.468 0.437 0 N-CA-C 111.897 0.332 . . . . 20.0 111.897 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -80.84 -21.27 40.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 20.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -89.27 -33.74 16.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.093 178.221 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.477 HG13 ' HB2' ' A' ' 49' ' ' MET . 86.2 t -58.73 -40.32 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 20.0 110.155 175.688 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.82 -23.5 63.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.388 -0.824 . . . . 20.0 110.937 179.357 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -83.98 -69.03 0.67 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.364 -0.38 . . . . 20.0 111.404 -178.047 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -90.67 -39.09 12.66 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.668 0.618 . . . . 20.0 112.668 -171.353 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.477 ' HB2' HG13 ' A' ' 45' ' ' VAL . 82.9 mtp -89.6 -16.31 30.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.906 0.706 . . . . 20.0 112.906 -171.914 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.56 -58.77 1.22 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.666 0.987 . . . . 20.0 113.666 -173.422 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 33.9 mt-10 -72.58 -32.5 66.05 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.664 -0.414 . . . . 20.0 111.164 -175.945 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -62.25 -40.88 97.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.264 0.554 . . . . 20.0 109.759 175.796 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 56' ' ' MET . 79.6 t80 -69.5 -37.26 77.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.387 -0.824 . . . . 20.0 110.091 178.321 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.37 97.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.955 -0.566 . . . . 20.0 110.941 177.761 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 99.5 mttt -62.98 -36.0 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.689 -179.348 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 21.7 ptp -85.53 -19.69 30.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.749 0.309 . . . . 20.0 110.82 -178.67 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.09 178.973 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.731 0.3 . . . . 20.0 111.19 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.79 -35.99 75.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 20.0 110.161 178.943 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.405 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 7.8 mm-40 -80.58 -38.27 29.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.958 -0.565 . . . . 20.0 110.437 -179.232 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -73.05 -14.79 61.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 20.0 110.339 -179.911 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 t -59.96 -17.5 38.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.459 -0.791 . . . . 20.0 111.583 -178.539 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.405 ' HD1' ' O ' ' A' ' 18' ' ' GLU . 16.0 p90 -55.48 -27.34 47.78 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.522 0.201 . . . . 20.0 111.45 -177.722 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 92.1 m-20 -62.09 -28.68 69.79 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.315 -0.402 . . . . 20.0 111.349 179.804 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.05 -35.62 81.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.88 -177.829 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -69.31 -29.12 66.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.448 -0.342 . . . . 20.0 110.623 176.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.55 -34.64 72.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 20.0 109.912 175.844 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 12.3 mmp_? -73.08 -40.58 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.079 178.394 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.18 -22.09 63.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.875 -0.602 . . . . 20.0 110.899 178.715 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.13 -44.92 90.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.709 177.268 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.121 179.09 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.4 p80 . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.571 0.224 . . . . 20.0 110.849 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.64 -52.45 65.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 20.0 110.823 176.134 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.33 -18.91 59.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.498 -0.319 . . . . 20.0 110.825 -177.949 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.21 -42.16 95.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.984 0.421 . . . . 20.0 110.149 176.068 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -59.4 -33.46 71.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.552 -0.749 . . . . 20.0 110.467 176.935 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 6.9 tpm_? -83.1 -32.0 26.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.842 -0.617 . . . . 20.0 110.935 -179.18 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.7 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 65.2 mtp180 -78.07 -16.97 57.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.497 -179.348 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.6 mmt -48.53 -35.26 12.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.709 -0.223 . . . . 20.0 111.452 177.567 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.68 -50.89 62.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 20.0 111.992 178.43 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.7 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 11.6 pt-20 -67.96 -30.51 69.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.071 0.462 . . . . 20.0 110.373 -178.638 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -70.6 -32.91 70.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.423 179.208 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -72.54 -31.99 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.391 . . . . 20.0 110.228 175.628 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.23 93.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.223 174.606 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 48.3 mtpt -77.17 -19.75 56.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.975 -0.557 . . . . 20.0 110.442 176.837 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.5 ttt -71.01 -21.49 62.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.004 177.405 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.895 174.911 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.75 0.31 . . . . 20.0 110.902 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -63.87 -29.15 70.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 20.0 111.191 179.425 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.97 -40.23 92.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.047 -0.353 . . . . 20.0 110.047 179.492 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -67.56 -24.77 65.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.705 -177.31 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m -70.76 -41.58 71.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.979 -0.555 . . . . 20.0 110.136 177.44 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -80.86 -30.78 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.268 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -54.82 -37.79 66.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.779 -0.646 . . . . 20.0 110.186 178.886 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.65 -45.17 95.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.839 179.752 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -77.83 -36.37 50.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 20.0 110.801 -178.018 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.77 -26.72 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.902 0.382 . . . . 20.0 110.346 177.626 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -70.27 -24.23 63.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.98 -0.555 . . . . 20.0 110.249 178.495 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.91 -32.34 20.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.122 0.487 . . . . 20.0 110.527 178.249 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -91.06 2.15 56.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.661 -0.699 . . . . 20.0 111.222 -177.843 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.533 0.308 0 N-CA-C 112.356 0.502 . . . . 20.0 112.356 -173.621 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 . . . . . 0 CA--C 1.518 -0.288 0 CA-C-O 121.366 0.603 . . . . 20.0 109.71 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.565 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 8.6 m-20 -70.12 -15.65 63.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.295 -0.866 . . . . 20.0 110.206 177.295 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.15 -43.49 95.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.751 -0.658 . . . . 20.0 110.415 177.947 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.3 -38.09 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.466 0.65 . . . . 20.0 109.9 178.31 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.17 -30.81 71.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.962 -1.017 . . . . 20.0 111.26 179.362 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 5.3 mmp_? -56.15 -42.38 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.481 -0.327 . . . . 20.0 111.549 -176.723 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -65.37 -35.32 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.265 0.555 . . . . 20.0 110.28 -179.314 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.38 -25.96 42.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.211 -179.597 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.37 -31.59 72.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.817 -0.628 . . . . 20.0 110.316 175.02 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.53 -28.18 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 20.0 110.684 176.797 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -73.89 -40.67 63.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.356 -0.609 . . . . 20.0 109.356 175.195 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -66.16 -23.63 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.312 177.379 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -64.11 -18.64 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.793 -0.64 . . . . 20.0 111.215 177.57 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -90.06 -21.82 22.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.168 0.509 . . . . 20.0 110.216 176.756 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -91.89 -2.42 56.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.853 -0.612 . . . . 20.0 111.368 178.737 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 4.7 ptp180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 20.0 110.787 -178.48 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 . . . . . 0 CA--C 1.527 0.063 0 N-CA-C 111.746 0.276 . . . . 20.0 111.746 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.85 -44.54 96.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 20.0 110.92 -178.036 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.77 -33.81 46.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.888 0.375 . . . . 20.0 110.479 -179.666 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.419 HD22 ' N ' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -67.94 -20.57 65.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 20.0 111.032 179.332 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -65.01 -34.61 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 20.0 110.648 177.1 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -78.04 -38.07 45.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.729 -0.471 . . . . 20.0 109.729 178.049 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.18 -40.94 95.8 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.967 -0.56 . . . . 20.0 109.868 175.267 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.52 -47.52 83.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.8 -0.636 . . . . 20.0 110.414 178.035 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -62.83 -42.33 99.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.608 -0.724 . . . . 20.0 111.034 -179.096 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -73.67 -37.04 65.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 20.0 110.528 -178.587 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -68.28 -32.07 71.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.981 -0.554 . . . . 20.0 110.297 179.016 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.29 -24.63 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.599 . . . . 20.0 111.414 -179.504 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -67.56 -32.11 72.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 20.0 110.255 178.527 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.205 -0.452 . . . . 20.0 110.364 177.72 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 . . . . . 0 N--CA 1.46 0.07 0 N-CA-C 111.618 0.229 . . . . 20.0 111.618 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.27 -43.49 78.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.015 0.436 . . . . 20.0 110.547 178.023 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -69.24 -34.84 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 20.0 110.645 -176.908 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.84 -49.55 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.68 . . . . 20.0 110.662 -178.775 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.91 -48.72 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.72 -0.673 . . . . 20.0 110.965 -179.323 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 40.5 ttm180 -58.05 -38.93 77.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.975 0.417 . . . . 20.0 111.003 -179.677 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -70.07 -48.37 58.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.981 -0.554 . . . . 20.0 111.169 -178.719 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.7 mtt -80.23 -48.88 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.18 0.437 . . . . 20.0 112.18 -173.504 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -56.17 14.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.54 0.57 . . . . 20.0 112.54 -171.323 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' OE2' ' HG3' ' A' ' 47' ' ' ARG . 37.7 mt-10 -60.45 -36.3 77.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.903 0.334 . . . . 20.0 111.903 -174.093 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -78.59 -35.12 46.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.771 0.32 . . . . 20.0 110.829 -179.394 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -75.32 -22.92 57.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.924 0.393 . . . . 20.0 110.195 -179.243 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.17 87.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.612 176.321 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -75.52 -16.8 60.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.947 -0.569 . . . . 20.0 110.158 179.063 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.5 mtt -87.71 -10.91 49.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.74 -0.664 . . . . 20.0 110.518 177.281 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.118 -0.492 . . . . 20.0 109.725 174.904 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 9.5 pt-20 . . . . . 0 N--CA 1.465 0.279 0 CA-C-O 120.933 0.397 . . . . 20.0 111.499 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 82.8 mm-40 -66.92 -30.37 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.712 -178.447 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HA ' ' CD2' ' A' ' 21' ' ' TYR . 45.9 mt-10 -81.4 -35.13 31.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 20.0 109.962 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.09 -34.44 76.32 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.394 -0.595 . . . . 20.0 109.394 172.644 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.3 m -71.04 -20.74 62.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.667 -0.697 . . . . 20.0 111.155 179.76 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.661 ' CD2' ' HA ' ' A' ' 18' ' ' GLU . 15.6 m-85 -68.03 -23.14 64.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.874 0.368 . . . . 20.0 110.372 177.295 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -67.69 -18.06 64.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.19 -30.42 71.48 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.041 0.448 . . . . 20.0 110.382 175.507 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -70.66 -33.75 71.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.993 -0.549 . . . . 20.0 110.05 177.959 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mp -78.49 -33.84 47.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 20.0 109.985 177.643 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.451 ' HA ' HG12 ' A' ' 29' ' ' VAL . 77.7 ttt180 -49.91 -41.45 46.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.177 -0.92 . . . . 20.0 111.88 -179.044 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.05 77.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.886 -177.411 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -92.46 -34.09 14.25 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.339 0.496 . . . . 20.0 112.339 -178.266 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 26' ' ' ARG . 6.4 p . . . . . 0 C--N 1.328 -0.329 0 N-CA-C 112.015 0.376 . . . . 20.0 112.015 -173.372 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.509 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 36.1 m-70 . . . . . 0 CA--C 1.519 -0.229 0 N-CA-C 111.973 0.36 . . . . 20.0 111.973 . . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -77.77 -30.16 51.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 20.0 110.548 -178.875 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.473 ' HG3' ' HE ' ' A' ' 47' ' ' ARG . 22.6 tt0 -73.88 -35.45 64.7 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.831 -0.433 . . . . 20.0 109.831 176.248 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 80.0 t -57.79 -40.36 75.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.097 -0.501 . . . . 20.0 110.481 177.074 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 35.4 mt-10 -60.37 -54.34 46.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.177 179.755 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HE ' ' HG3' ' A' ' 44' ' ' GLU . 40.6 ptt180 -68.16 -30.21 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.398 . . . . 20.0 110.859 -177.712 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -79.2 -27.19 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.565 -178.028 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 48.2 ttm -64.07 -37.03 85.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 20.0 110.516 -179.031 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.81 79.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.314 0.578 . . . . 20.0 110.373 176.638 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.17 -21.31 46.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.836 . . . . 20.0 110.412 179.624 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -33.01 60.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.709 174.683 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -71.77 -26.43 62.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.87 -0.605 . . . . 20.0 109.908 176.705 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.8 -24.4 65.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.707 -0.679 . . . . 20.0 110.782 176.254 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -63.44 -32.21 73.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.864 -0.607 . . . . 20.0 110.28 176.828 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.7 ttt -64.17 -29.22 70.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.776 -0.647 . . . . 20.0 110.66 179.335 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.39 -179.844 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 42.3 mt-10 . . . . . 0 C--O 1.231 0.116 0 N-CA-C 112.204 0.446 . . . . 20.0 112.204 . . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -54.52 -46.35 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.75 -0.204 . . . . 20.0 111.032 179.176 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.7 -28.62 65.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.941 0.4 . . . . 20.0 110.642 178.621 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.417 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 12.3 m120 -68.76 -34.62 75.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.483 -0.562 . . . . 20.0 109.483 178.93 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.6 m -79.54 -21.65 44.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.449 178.185 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -74.15 -45.92 45.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.955 -177.623 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -69.0 -30.47 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.68 -0.408 . . . . 20.0 110.317 -179.171 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.97 -37.85 87.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.179 0.514 . . . . 20.0 109.82 175.185 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -64.24 -39.92 94.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.634 -0.712 . . . . 20.0 110.221 176.763 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.3 -38.32 90.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.097 0.475 . . . . 20.0 110.144 177.459 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -58.81 -43.38 90.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.619 -0.719 . . . . 20.0 110.748 175.906 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.27 72.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 20.0 111.05 179.829 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -68.5 -46.05 70.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.867 178.588 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.7 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.605 -177.117 . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 p80 . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 121.271 0.558 . . . . 20.0 109.953 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -51.14 -45.2 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.886 -1.052 . . . . 20.0 112.949 -174.071 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -23.09 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.733 -0.387 . . . . 20.0 110.544 -177.051 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 49' ' ' MET . 99.2 t -62.0 -37.06 77.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.47 -0.567 . . . . 20.0 109.47 173.283 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.01 -38.39 73.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.253 -0.885 . . . . 20.0 110.279 174.669 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -74.6 -38.56 62.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.814 -0.63 . . . . 20.0 109.972 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -58.3 -41.65 84.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.576 . . . . 20.0 110.218 175.029 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.0 mmt -70.25 -31.87 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.711 -0.677 . . . . 20.0 110.751 178.01 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.02 -43.06 88.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.543 177.389 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.97 -33.98 74.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.826 -0.624 . . . . 20.0 110.059 177.354 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -63.7 -39.88 95.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.53 -0.759 . . . . 20.0 110.112 176.754 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -68.02 -36.04 79.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.144 176.696 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.16 76.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.006 179.106 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -69.67 -23.76 63.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.74 178.466 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 97.0 mmm -85.98 -22.0 27.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.152 0.501 . . . . 20.0 110.379 178.738 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.628 -0.714 . . . . 20.0 110.152 177.818 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 . . . . . 0 CA--C 1.529 0.152 0 CA-C-O 120.812 0.339 . . . . 20.0 111.003 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -83.69 -30.48 26.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 20.0 110.262 179.63 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.83 -26.52 68.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.067 176.467 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -61.03 -31.53 71.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.63 178.397 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -71.01 -30.92 67.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.066 0.46 . . . . 20.0 110.451 178.273 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.515 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 65.9 m-85 -73.7 -38.22 64.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.34 0.591 . . . . 20.0 109.625 176.264 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -69.88 -21.89 63.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.52 -0.764 . . . . 20.0 110.591 176.861 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -66.03 -39.52 90.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 20.0 109.878 178.027 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.515 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 9.0 m0 -73.26 -27.26 61.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.108 0.48 . . . . 20.0 110.093 177.466 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.8 mt -72.63 -10.59 59.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 20.0 110.881 178.066 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -66.75 -40.12 88.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 20.0 110.435 174.373 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.46 -34.3 20.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.45 0.643 . . . . 20.0 110.456 179.356 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -82.72 3.81 27.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.234 -0.894 . . . . 20.0 111.342 -179.219 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.466 0.368 0 N-CA-C 112.355 0.502 . . . . 20.0 112.355 -176.147 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.563 0.22 . . . . 20.0 110.915 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 15.6 t70 -70.48 -39.43 74.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 20.0 110.36 176.557 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.517 ' HG3' ' NH1' ' A' ' 48' ' ' ARG . 32.5 tt0 -72.47 -35.71 68.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.083 -179.633 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.6 t -60.51 -45.79 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.132 175.206 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.76 -27.83 69.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.361 -0.836 . . . . 20.0 111.389 -178.033 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 62.3 mtt-85 -84.83 -53.35 5.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.549 -0.296 . . . . 20.0 111.205 178.751 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.517 ' NH1' ' HG3' ' A' ' 44' ' ' GLU . 7.2 mpt_? -87.41 -59.58 2.21 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.339 0.496 . . . . 20.0 112.339 -173.01 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 62.6 mtp -69.32 -19.91 63.88 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.329 0.492 . . . . 20.0 112.329 -172.297 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.14 78.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.968 0.414 . . . . 20.0 110.929 177.368 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -67.94 -29.7 68.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.662 -179.339 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 56' ' ' MET . 36.4 mtp180 -79.12 -33.08 44.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.775 -179.785 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -66.35 -37.95 86.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 20.0 109.806 177.833 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.67 -28.07 68.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.089 174.93 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -79.1 -26.82 42.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.481 -0.781 . . . . 20.0 110.302 178.295 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' A' ' 52' ' ' ARG . 68.0 mtt -63.46 -17.49 62.77 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.857 179.059 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-O 121.362 0.601 . . . . 20.0 109.769 175.992 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 . . . . . 0 N--CA 1.456 -0.155 0 CA-C-O 120.97 0.414 . . . . 20.0 110.055 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -66.45 -37.04 84.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.668 -0.697 . . . . 20.0 110.836 -179.581 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.58 -44.85 95.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.41 -178.311 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -72.76 -42.28 64.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.154 -0.475 . . . . 20.0 111.22 -178.295 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 p -65.42 -33.81 76.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.013 0.435 . . . . 20.0 110.977 -178.484 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -72.95 -38.62 66.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.273 -0.422 . . . . 20.0 110.46 179.266 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -64.19 -33.56 76.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.362 -0.381 . . . . 20.0 110.819 178.22 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.03 -38.95 93.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.344 -0.389 . . . . 20.0 110.577 176.282 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -70.91 -37.74 72.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.319 -0.4 . . . . 20.0 110.513 177.526 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.4 tp -56.94 -42.12 79.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.038 0.447 . . . . 20.0 110.289 178.031 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -70.29 -27.34 64.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.877 -0.601 . . . . 20.0 111.125 178.958 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.47 -32.53 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.042 -179.137 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -74.12 -39.88 63.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.731 -179.137 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 CA--C 1.535 0.374 0 CA-C-O 121.546 0.689 . . . . 20.0 110.699 -179.274 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 44.2 m80 . . . . . 0 CA--C 1.517 -0.327 0 CA-C-O 120.519 0.199 . . . . 20.0 110.947 . . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.17 -37.48 80.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.537 -177.216 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.81 -13.0 60.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.814 0.34 . . . . 20.0 110.847 179.242 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.0 t -91.11 -48.11 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.015 0.436 . . . . 20.0 110.405 176.191 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 31.4 mm-40 -54.27 -37.23 64.48 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.522 -0.763 . . . . 20.0 111.353 -178.721 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -59.14 -33.23 70.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.023 -0.535 . . . . 20.0 111.164 -179.545 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 45.0 mtp180 -82.41 -43.11 17.73 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.998 -0.371 . . . . 20.0 109.998 -178.809 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 59.9 mtt -61.29 -28.45 69.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.944 -0.571 . . . . 20.0 111.108 -179.384 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -54.94 -45.68 74.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 20.0 111.085 177.572 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -78.77 -22.46 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.565 -179.509 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.526 ' O ' ' HG2' ' A' ' 56' ' ' MET . 25.5 mmm180 -79.59 -19.86 48.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.904 -178.106 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 50' ' ' ALA . 13.3 m-85 -57.91 -31.02 66.37 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.654 -0.248 . . . . 20.0 111.556 -179.871 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.0 96.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.149 0.499 . . . . 20.0 110.598 177.601 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -77.66 -19.89 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.492 -179.003 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild core ' A' A ' 56' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 25.8 mmt -70.4 -19.0 63.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.937 -0.574 . . . . 20.0 110.811 179.83 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? . . . . . 0 C--N 1.331 -0.231 0 N-CA-C 109.641 -0.503 . . . . 20.0 109.641 173.621 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 24.8 ttt . . . . . 0 N--CA 1.481 1.088 0 N-CA-C 110.368 -0.234 . . . . 20.0 110.368 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -170.01 147.56 3.28 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.091 -0.337 . . . . 20.0 110.091 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 -146.26 -177.32 5.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.71 -178.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 93.1 mttt 64.74 50.82 1.97 Allowed 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.7 -0.682 . . . . 20.0 111.677 174.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -160.36 -9.89 0.05 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.4 0.519 . . . . 20.0 112.4 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -57.08 -66.85 0.38 Allowed 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 120.837 0.351 . . . . 20.0 110.449 -178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -124.85 68.78 1.11 Allowed 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.666 -0.494 . . . . 20.0 109.666 174.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -77.74 -50.4 12.46 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.042 -0.526 . . . . 20.0 110.233 -179.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -81.17 -28.68 34.91 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.492 -0.559 . . . . 20.0 109.492 174.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 t30 53.22 84.3 0.06 Allowed 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 115.375 -0.83 . . . . 20.0 112.51 169.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 56.91 54.41 7.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.818 -0.628 . . . . 20.0 111.206 176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.04 48.49 1.57 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.989 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -78.57 76.25 5.08 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.351 -0.611 . . . . 20.0 109.351 177.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 t 61.45 77.94 0.33 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.436 -0.802 . . . . 20.0 109.47 -172.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.449 ' O ' ' HB2' ' A' ' 8' ' ' MET . 61.1 Cg_endo -74.31 62.75 5.28 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.811 2.341 . . . . 20.0 112.214 -177.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.449 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 22.6 mmt 72.59 141.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.339 -0.846 . . . . 20.0 111.068 -178.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.1 m -58.63 125.93 15.44 Favored 'Isoleucine or valine' 0 C--O 1.236 0.347 0 CA-C-N 115.823 -0.626 . . . . 20.0 111.174 179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.5 t -171.12 -162.37 0.25 Allowed 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.615 -0.883 . . . . 20.0 108.615 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.55 97.93 0.47 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.003 0.43 . . . . 20.0 110.088 176.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -72.26 -7.85 51.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.043 -0.526 . . . . 20.0 111.921 -174.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -77.19 -19.9 56.11 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.285 -0.416 . . . . 20.0 111.28 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.9 t -140.08 110.0 6.44 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.806 0.813 . . . . 20.0 111.686 -176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.407 HG22 ' OD1' ' A' ' 19' ' ' ASN . 71.0 mt -86.12 -37.33 11.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.49 -0.777 . . . . 20.0 109.644 175.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -57.51 -47.04 83.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.457 -0.792 . . . . 20.0 112.076 -177.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -63.34 -45.62 90.36 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 121.001 -0.28 . . . . 20.0 110.731 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -61.76 -41.23 97.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.386 -0.37 . . . . 20.0 110.427 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.407 ' OD1' HG22 ' A' ' 15' ' ' ILE . 11.5 m120 -60.42 -45.03 95.1 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.14 175.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.8 t -59.82 -42.58 93.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.413 -0.358 . . . . 20.0 110.628 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.1 m-85 -66.07 -41.09 91.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.486 -0.324 . . . . 20.0 110.955 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.55 -49.54 53.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.443 -0.344 . . . . 20.0 111.066 -178.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -57.22 -47.67 80.72 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 120.696 0.284 . . . . 20.0 111.45 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -68.76 -43.23 76.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.117 -0.492 . . . . 20.0 111.024 -177.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.28 -45.56 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.496 -0.32 . . . . 20.0 110.685 -177.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.421 ' HA ' HG12 ' A' ' 29' ' ' VAL . 36.0 ttp-105 -62.68 -33.63 75.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.906 0.384 . . . . 20.0 111.127 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.03 -41.8 63.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.103 0.478 . . . . 20.0 110.656 178.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -76.29 -37.27 57.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.762 -0.654 . . . . 20.0 111.06 -176.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 26' ' ' ARG . 4.9 p -70.89 -11.1 14.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.005 0.431 . . . . 20.0 110.853 -179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.01 -21.71 60.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.242 0.544 . . . . 20.0 109.892 175.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.0 m -89.77 -20.18 23.84 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.627 -0.715 . . . . 20.0 109.706 175.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.414 ' OG ' ' HA ' ' A' ' 29' ' ' VAL . 19.1 m -71.37 131.47 43.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.869 -0.605 . . . . 20.0 110.891 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.9 mt 63.28 21.01 12.6 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.582 0.551 . . . . 20.0 111.464 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.45 ' C ' ' HD3' ' A' ' 36' ' ' PRO . . . -145.41 135.25 23.56 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.337 -0.392 . . . . 20.0 110.572 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.404 ' OD1' ' HG2' ' A' ' 38' ' ' PRO . 26.1 t70 -127.83 71.72 78.36 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-O 121.149 0.5 . . . . 20.0 109.966 176.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 34' ' ' ALA . 6.0 Cg_endo -90.23 -67.95 0.01 OUTLIER 'Trans proline' 0 N--CA 1.454 -0.798 0 C-N-CA 123.277 2.652 . . . . 20.0 111.969 178.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 -138.54 68.67 45.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.376 -0.374 . . . . 20.0 110.571 177.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.404 ' HG2' ' OD1' ' A' ' 35' ' ' ASP . 9.3 Cg_exo -72.39 104.59 1.72 Allowed 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.313 2.008 . . . . 20.0 110.775 176.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -72.31 75.72 1.0 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.287 0.565 . . . . 20.0 111.452 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.5 mt -105.6 98.13 16.53 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 115.586 -0.734 . . . . 20.0 109.337 175.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.537 ' HB2' ' CA ' ' A' ' 46' ' ' GLU . 97.2 Cg_endo -86.23 117.21 1.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.869 0 C-N-CA 122.55 2.167 . . . . 20.0 112.663 -175.464 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -94.29 -70.84 0.69 Allowed 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 120.42 -0.512 . . . . 20.0 112.136 176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -102.75 -69.88 0.78 Allowed 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.704 0.631 . . . . 20.0 112.704 -173.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 18.4 mm-40 -85.99 -31.51 22.02 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.971 -0.558 . . . . 20.0 111.433 -170.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.462 HG12 ' HB3' ' A' ' 41' ' ' PRO . 36.8 t -74.87 -34.35 32.94 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.452 -0.499 . . . . 20.0 109.77 178.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.537 ' CA ' ' HB2' ' A' ' 41' ' ' PRO . 41.1 tt0 -68.01 -39.1 83.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 20.0 110.662 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.614 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 14.4 ptm180 -67.62 -23.23 65.34 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.779 0.323 . . . . 20.0 110.206 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.407 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 99.7 mtt180 -78.54 -43.04 27.71 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.206 -0.452 . . . . 20.0 109.931 176.254 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -34.81 78.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.322 174.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.6 -35.28 72.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.648 -0.705 . . . . 20.0 111.089 177.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -60.53 -41.1 93.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.2 177.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -65.66 -48.02 73.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.696 -0.684 . . . . 20.0 110.589 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -64.1 -32.89 74.62 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.799 0.333 . . . . 20.0 110.774 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.3 -49.81 72.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.072 -0.513 . . . . 20.0 111.311 179.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.39 -17.61 59.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.952 0.406 . . . . 20.0 110.957 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.3 ttt -79.31 -17.51 54.45 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.886 -0.597 . . . . 20.0 109.858 176.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 57' ' ' ARG . 45.7 ttp180 -67.64 -30.06 69.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.599 -0.728 . . . . 20.0 109.791 178.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -95.1 125.2 39.59 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.835 -0.621 . . . . 20.0 110.22 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 65.17 105.02 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.863 0.727 . . . . 20.0 111.563 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -83.03 -62.8 1.5 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.124 -0.489 . . . . 20.0 110.686 -178.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.5 p -156.71 90.15 1.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.19 0.519 . . . . 20.0 110.989 -178.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 55.1 tttp -84.02 81.93 8.57 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.087 0.47 . . . . 20.0 109.831 178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.478 -0.773 . . . . 20.0 109.833 179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 71.1 mtm . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.979 0.418 . . . . 20.0 110.784 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -97.04 151.33 19.84 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.676 -0.49 . . . . 20.0 109.676 177.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -134.98 74.39 1.52 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.32 -0.4 . . . . 20.0 110.609 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm 71.88 148.5 0.09 Allowed 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 114.963 -1.017 . . . . 20.0 111.523 178.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -80.16 91.15 5.52 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.733 -0.667 . . . . 20.0 110.147 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -91.35 -58.83 2.31 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.764 -0.653 . . . . 20.0 109.83 176.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 36.8 t70 59.1 91.75 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.271 -0.877 . . . . 20.0 110.792 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -55.37 -33.5 63.48 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.3 -0.864 . . . . 20.0 112.87 -173.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -72.44 1.25 8.32 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 112.713 0.634 . . . . 20.0 112.713 -174.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -61.11 146.5 47.19 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 109.543 -0.54 . . . . 20.0 109.543 176.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -81.18 73.01 8.23 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.139 0.422 . . . . 20.0 112.139 -172.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.97 20.76 4.53 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.201 0.525 . . . . 20.0 110.256 174.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 42.2 tp -87.54 82.11 7.56 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.878 -0.601 . . . . 20.0 110.451 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 7' ' ' PRO . 19.5 m -138.53 61.5 24.84 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.703 176.656 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.559 ' HB2' ' SD ' ' A' ' 8' ' ' MET . 1.9 Cg_endo -80.88 -73.56 0.01 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.878 2.385 . . . . 20.0 112.251 -178.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.559 ' SD ' ' HB2' ' A' ' 7' ' ' PRO . 2.0 mpt? -92.07 -37.94 12.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.116 0.484 . . . . 20.0 109.987 179.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.8 m -79.22 132.85 31.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.079 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -133.8 73.36 1.5 Allowed 'General case' 0 C--N 1.317 -0.812 0 CA-C-O 121.409 0.623 . . . . 20.0 109.449 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -83.09 154.39 24.39 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.326 -0.852 . . . . 20.0 110.081 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -95.82 54.95 1.56 Allowed 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.339 0.59 . . . . 20.0 110.04 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -76.02 -31.46 58.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.235 -0.893 . . . . 20.0 109.839 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -81.48 95.38 7.07 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.68 -0.691 . . . . 20.0 110.565 177.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.4 mt -94.49 114.72 31.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.715 -0.675 . . . . 20.0 110.199 -178.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -67.22 -32.19 73.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.282 -0.417 . . . . 20.0 110.279 -178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.613 ' O ' ' HB2' ' A' ' 21' ' ' TYR . 25.9 mp0 -62.3 -28.65 69.88 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.848 -0.615 . . . . 20.0 110.434 176.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -79.93 -43.43 22.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.991 -0.55 . . . . 20.0 110.159 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -56.34 -45.72 80.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.906 -0.588 . . . . 20.0 110.527 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.4 m -81.24 -12.83 59.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.143 -0.48 . . . . 20.0 111.209 -178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.613 ' HB2' ' O ' ' A' ' 17' ' ' GLN . 35.9 t80 -73.31 -17.1 61.34 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.57 -0.286 . . . . 20.0 110.93 -176.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.538 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 53.4 m-80 -54.44 -31.69 55.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.43 -0.35 . . . . 20.0 110.731 177.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -65.08 -35.83 82.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.344 -0.389 . . . . 20.0 111.058 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -76.01 -31.08 58.74 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.928 0.394 . . . . 20.0 110.375 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.22 -36.91 85.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.977 176.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.538 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 29.7 mmm180 -63.68 -35.36 80.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.626 177.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.43 -21.33 42.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.224 -0.444 . . . . 20.0 111.243 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -71.21 -14.23 62.18 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.024 -0.535 . . . . 20.0 111.378 -175.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.0 p -56.57 -39.19 60.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 CA-C-N 116.691 -0.231 . . . . 20.0 111.204 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -178.76 3.0 0.01 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.287 -0.415 . . . . 20.0 111.909 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 6.7 m 57.7 28.26 15.55 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.972 0.892 . . . . 20.0 110.045 -173.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.6 t -168.69 153.25 5.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.919 -1.037 . . . . 20.0 108.657 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -102.34 118.77 37.58 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.48 0.181 . . . . 20.0 110.79 -176.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 55.1 63.59 2.07 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.897 0.748 . . . . 20.0 112.101 175.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -70.84 121.59 84.36 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.092 -0.503 . . . . 20.0 109.706 175.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.56 -34.48 98.86 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.9 2.4 . . . . 20.0 112.227 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? 47.92 80.32 0.3 Allowed Pre-proline 0 N--CA 1.466 0.336 0 O-C-N 123.878 0.736 . . . . 20.0 111.328 178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -58.49 128.17 27.39 Favored 'Trans proline' 0 C--O 1.236 0.41 0 C-N-CA 122.353 2.035 . . . . 20.0 111.852 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.55 132.56 50.22 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.874 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.9 pt -96.43 144.77 28.41 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.771 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -64.53 158.06 51.81 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.86 2.374 . . . . 20.0 111.317 177.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 92.0 m-70 -66.42 -16.39 64.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.885 -0.598 . . . . 20.0 111.796 -173.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -66.44 -38.07 86.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 20.0 110.331 175.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -68.72 -43.68 75.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.012 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.8 t -65.25 -42.73 94.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.466 -0.788 . . . . 20.0 110.544 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -61.48 -42.57 98.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.986 -0.552 . . . . 20.0 110.576 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.7 ttt180 -67.16 -41.34 86.18 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 120.865 -0.334 . . . . 20.0 110.134 176.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.474 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -55.07 -46.11 75.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.994 -0.548 . . . . 20.0 110.131 -179.109 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.5 mmt -66.12 -39.54 89.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.871 -0.604 . . . . 20.0 111.203 -179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.15 -41.02 97.88 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.106 0.479 . . . . 20.0 110.808 -179.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -76.75 -29.21 56.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.57 -0.741 . . . . 20.0 110.299 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -75.93 -46.74 28.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.19 -0.913 . . . . 20.0 111.573 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -71.5 -9.88 58.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 20.0 111.466 -177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.0 -26.08 67.33 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.457 -0.338 . . . . 20.0 110.764 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HG2' ' HB3' ' A' ' 59' ' ' GLU . 33.2 mtmm -67.98 -19.57 64.96 Favored 'General case' 0 C--O 1.231 0.109 0 CA-C-N 116.131 -0.486 . . . . 20.0 111.147 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 42.5 ttm -67.77 -30.42 69.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.214 0.53 . . . . 20.0 109.863 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 54.0 mtp180 -96.56 -59.84 1.73 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.607 -0.724 . . . . 20.0 109.985 177.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 21.1 tptm 176.44 113.51 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.638 -0.71 . . . . 20.0 109.866 178.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.464 ' HB3' ' HG2' ' A' ' 55' ' ' LYS . 9.8 tp10 -146.01 152.42 39.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.68 -0.489 . . . . 20.0 109.68 179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 75.3 mtp180 -70.46 149.28 47.38 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.545 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.0 p -76.51 75.42 3.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.115 -0.493 . . . . 20.0 109.883 175.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 6.1 tmtm? -67.65 100.43 0.89 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.845 -0.616 . . . . 20.0 109.903 -177.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.166 -0.921 . . . . 20.0 109.681 -178.762 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 121.041 0.448 . . . . 20.0 109.992 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -83.79 -36.91 23.19 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.489 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -93.11 130.92 38.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.004 -0.543 . . . . 20.0 109.922 176.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -118.76 94.12 4.34 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.217 0.532 . . . . 20.0 111.452 -174.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -111.33 -1.72 15.92 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.801 -0.636 . . . . 20.0 109.697 173.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -130.48 33.57 4.27 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.388 -0.824 . . . . 20.0 109.729 -176.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -40.8 114.98 0.52 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 115.657 -0.701 . . . . 20.0 112.569 -176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.34 -3.83 51.04 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.8 -0.637 . . . . 20.0 110.024 176.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -80.6 -26.67 37.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.688 -0.687 . . . . 20.0 109.984 173.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -80.15 94.36 5.99 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.149 -0.686 . . . . 20.0 109.149 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -128.43 162.21 27.69 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 116.169 -0.469 . . . . 20.0 109.847 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.41 41.53 22.74 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.403 0.62 . . . . 20.0 110.467 -176.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.675 HD23 ' H ' ' A' ' 5' ' ' LEU . 1.7 pt? -98.94 46.23 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.666 0.746 . . . . 20.0 109.699 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.1 m -106.38 126.63 29.98 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.231 -0.895 . . . . 20.0 110.619 -177.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -63.59 158.8 43.92 Favored 'Trans proline' 0 C--O 1.235 0.329 0 C-N-CA 122.955 2.437 . . . . 20.0 112.061 178.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.8 ttt -78.11 72.69 4.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.403 0.62 . . . . 20.0 110.346 -177.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.7 m -133.65 145.33 33.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.404 -0.816 . . . . 20.0 109.561 177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.6 p -143.41 122.9 13.18 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.525 0.202 . . . . 20.0 110.797 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -83.67 85.91 7.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.023 0.44 . . . . 20.0 110.564 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -85.07 54.3 3.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.748 0.785 . . . . 20.0 110.461 -179.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -89.31 40.76 1.0 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.519 -0.764 . . . . 20.0 110.902 -175.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 27.4 p -98.99 76.87 2.14 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.317 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.621 HD12 ' H ' ' A' ' 15' ' ' ILE . 4.4 mp -71.5 104.72 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.845 -0.616 . . . . 20.0 109.799 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.51 -37.54 87.69 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.716 -0.675 . . . . 20.0 111.001 -175.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 25.1 tt0 -60.94 -45.54 94.29 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.421 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.581 ' H ' HG22 ' A' ' 15' ' ' ILE . 31.6 tp10 -64.93 -43.15 93.71 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.67 -0.696 . . . . 20.0 110.265 -177.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.3 m-20 -74.29 -15.15 60.98 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.82 -0.627 . . . . 20.0 111.326 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 44.8 m -90.2 -40.97 11.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.949 0.404 . . . . 20.0 110.067 173.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -73.4 -35.49 65.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.872 -0.603 . . . . 20.0 111.795 -174.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -62.66 -32.3 73.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.051 0.453 . . . . 20.0 109.969 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -67.03 -36.67 82.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.845 -0.616 . . . . 20.0 110.463 176.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 58.9 t-105 -73.03 -35.52 66.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.78 -0.645 . . . . 20.0 109.975 177.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.98 -38.26 90.44 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.834 -0.621 . . . . 20.0 110.264 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.66 -35.5 67.75 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.465 177.024 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.99 -32.45 73.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.992 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -63.95 -27.31 69.05 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.798 -0.637 . . . . 20.0 110.039 178.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 85.0 t -89.02 -56.77 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.804 -0.634 . . . . 20.0 110.531 177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.11 94.59 2.77 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.949 -0.569 . . . . 20.0 110.549 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.1 t -82.54 -24.73 33.91 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.436 0.636 . . . . 20.0 110.104 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.7 m 55.26 39.6 31.38 Favored 'General case' 0 C--N 1.338 0.107 0 CA-C-N 114.922 -1.035 . . . . 20.0 111.06 177.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 42.5 tp -97.65 -28.23 14.01 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.892 -0.595 . . . . 20.0 110.354 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -142.3 55.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.428 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.545 ' OD2' ' HB3' ' A' ' 37' ' ' ARG . 8.7 p-10 -99.04 124.38 45.61 Favored Pre-proline 0 C--N 1.322 -0.594 0 CA-C-N 115.616 -0.72 . . . . 20.0 110.469 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -76.43 61.81 6.84 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 122.632 2.221 . . . . 20.0 111.031 175.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.545 ' HB3' ' OD2' ' A' ' 35' ' ' ASP . 7.6 ttp180 -121.78 94.38 48.34 Favored Pre-proline 0 C--N 1.319 -0.744 0 CA-C-N 115.144 -0.934 . . . . 20.0 110.353 -176.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -81.1 52.97 4.55 Favored 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 122.64 2.227 . . . . 20.0 112.071 179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -141.65 42.12 1.72 Allowed 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.764 -0.653 . . . . 20.0 110.644 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.7 mt -73.86 117.25 59.58 Favored Pre-proline 0 C--N 1.322 -0.587 0 CA-C-N 115.618 -0.719 . . . . 20.0 109.684 178.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -59.78 119.84 7.3 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.621 2.214 . . . . 20.0 112.661 -174.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 16.2 m170 -70.11 -19.66 63.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 20.0 109.892 177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.66 -25.01 67.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.606 176.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' OE1' ' HD2' ' A' ' 47' ' ' ARG . 8.2 tp10 -64.32 -35.83 82.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.171 0.51 . . . . 20.0 110.088 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.1 t -69.53 -43.91 80.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.738 -0.665 . . . . 20.0 110.399 179.007 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -64.2 -35.74 81.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.011 -0.541 . . . . 20.0 109.957 177.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HD2' ' OE1' ' A' ' 44' ' ' GLU . 44.2 ttm180 -64.29 -37.43 87.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.526 176.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 48' ' ' ARG . 7.1 tpt180 -71.21 -32.52 68.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.753 0.311 . . . . 20.0 110.501 178.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.4 mmt -70.38 -25.47 63.27 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.524 0.678 . . . . 20.0 109.776 175.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -79.27 -6.37 56.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.078 -0.965 . . . . 20.0 111.555 179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.485 ' HA ' ' HB3' ' A' ' 54' ' ' ALA . 12.7 pt-20 -47.36 -32.78 5.18 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 112.508 0.559 . . . . 20.0 112.508 -174.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -58.92 -52.74 64.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.915 0.388 . . . . 20.0 111.043 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -77.24 -25.05 51.19 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.394 0.616 . . . . 20.0 110.236 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.574 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -68.96 -15.2 63.43 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.45 -0.796 . . . . 20.0 111.485 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -63.47 -27.84 69.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.068 0.461 . . . . 20.0 109.84 175.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.496 ' O ' ' HG3' ' A' ' 59' ' ' GLU . 26.5 mmt -90.9 10.56 25.87 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.578 -0.737 . . . . 20.0 111.759 -176.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.574 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 7.9 ptp85 -62.38 -32.83 73.7 Favored 'General case' 0 N--CA 1.465 0.28 0 O-C-N 122.281 -0.262 . . . . 20.0 111.481 -178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 61' ' ' SER . 25.3 pttm -105.35 66.52 0.75 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.459 0.647 . . . . 20.0 111.416 -177.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 56' ' ' MET . 44.1 mt-10 -80.43 -52.45 7.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.817 -0.629 . . . . 20.0 109.381 174.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 53.4 ttp180 -121.71 -53.24 1.99 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.537 -0.756 . . . . 20.0 109.185 174.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.622 ' O ' ' HA ' ' A' ' 58' ' ' LYS . 26.1 t -87.51 147.37 25.39 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.485 -0.78 . . . . 20.0 109.768 177.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -86.35 -0.24 55.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.524 0.678 . . . . 20.0 109.967 175.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 . . . . . 0 C--O 1.246 0.887 0 CA-C-N 115.129 -0.941 . . . . 20.0 109.127 173.876 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 16.7 ttt . . . . . 0 N--CA 1.481 1.114 0 CA-C-O 120.931 0.396 . . . . 20.0 110.529 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -111.39 139.26 46.94 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.164 -0.471 . . . . 20.0 109.764 -178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -119.43 157.54 28.02 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.996 0.427 . . . . 20.0 111.034 -175.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -162.72 -19.84 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.732 -0.667 . . . . 20.0 110.708 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -165.25 59.22 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.863 -1.162 . . . . 20.0 107.863 -177.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -121.1 30.09 7.01 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.934 -1.03 . . . . 20.0 111.467 -165.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -68.04 109.23 3.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.433 178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -91.07 0.87 57.44 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.495 0.664 . . . . 20.0 110.561 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -88.01 -12.8 43.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.759 -0.655 . . . . 20.0 112.011 -172.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.528 ' OD1' ' HD3' ' A' ' 3' ' ' ARG . 9.6 p30 -93.59 178.26 5.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.101 -0.333 . . . . 20.0 110.101 176.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.528 ' HD3' ' OD1' ' A' ' 2' ' ' ASN . 5.4 mpt_? 74.71 141.36 0.07 Allowed 'General case' 0 N--CA 1.473 0.706 0 O-C-N 123.729 0.643 . . . . 20.0 110.364 -172.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 58.3 31.34 20.74 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.109 -0.496 . . . . 20.0 110.87 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 31.4 tp -123.11 76.94 1.42 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.412 0.625 . . . . 20.0 109.887 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m -102.52 114.79 65.19 Favored Pre-proline 0 C--N 1.315 -0.907 0 CA-C-N 115.64 -0.709 . . . . 20.0 110.018 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 8' ' ' MET . 40.8 Cg_exo -55.65 137.27 77.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.347 2.031 . . . . 20.0 110.787 175.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.444 ' HB2' ' O ' ' A' ' 7' ' ' PRO . 64.0 mtm 69.78 75.04 0.23 Allowed 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.866 0.729 . . . . 20.0 109.734 -172.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.6 m -59.21 137.26 21.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.653 -0.703 . . . . 20.0 111.362 -178.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.2 m 63.63 23.44 13.55 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.507 -0.769 . . . . 20.0 111.021 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 8' ' ' MET . 40.5 mt-10 -142.8 49.83 1.47 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.828 -0.624 . . . . 20.0 110.336 179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -79.44 136.9 37.06 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.516 -0.55 . . . . 20.0 109.516 177.513 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 58.48 73.1 0.49 Allowed 'General case' 0 C--O 1.234 0.243 0 O-C-N 123.675 0.61 . . . . 20.0 110.384 -178.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -120.82 77.47 1.29 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.416 0.627 . . . . 20.0 110.893 -179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.4 mt -73.34 112.14 9.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.468 -0.787 . . . . 20.0 110.498 -177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -66.04 -35.54 80.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.697 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -56.48 -35.49 68.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 20.0 110.813 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -72.68 -34.77 67.42 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.135 0.493 . . . . 20.0 110.632 -177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.433 ' N ' HD22 ' A' ' 19' ' ' ASN . 0.9 OUTLIER -87.77 -25.7 23.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.884 -0.598 . . . . 20.0 111.061 -177.29 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.3 m -90.07 -11.59 40.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.417 -0.356 . . . . 20.0 111.257 -179.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -57.39 -35.0 69.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.444 -0.343 . . . . 20.0 110.994 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.582 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 21.7 p30 -62.87 -27.91 69.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.491 -0.322 . . . . 20.0 111.272 179.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.485 ' OE1' ' HD3' ' A' ' 26' ' ' ARG . 7.8 tp10 -74.65 -40.28 61.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.143 0.497 . . . . 20.0 109.722 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -67.37 -26.71 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.248 176.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' O ' ' HG2' ' A' ' 28' ' ' LYS . 3.2 tm? -71.0 -37.69 72.68 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.811 -0.632 . . . . 20.0 109.626 177.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 63.3 mtp180 -66.01 -19.02 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.058 0.456 . . . . 20.0 110.69 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.85 -14.19 62.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.722 -0.672 . . . . 20.0 111.462 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.485 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 57.2 pttt -76.36 -19.2 58.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.019 0.438 . . . . 20.0 110.138 177.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.3 t -82.15 -37.87 15.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.437 0.637 . . . . 20.0 109.708 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.54 167.69 17.13 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.26 -0.882 . . . . 20.0 109.361 176.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.3 t -80.28 54.91 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.215 1.007 . . . . 20.0 110.529 178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.7 m -121.91 55.12 1.13 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.182 -0.917 . . . . 20.0 109.33 178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -95.31 129.98 42.25 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.444 -0.798 . . . . 20.0 110.152 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -82.61 91.58 6.98 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.838 -0.43 . . . . 20.0 109.838 176.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -59.96 149.37 73.95 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.598 -178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -67.88 78.06 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.963 2.442 . . . . 20.0 112.29 -178.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 47.7 ttp180 -119.56 127.56 26.37 Favored Pre-proline 0 C--N 1.317 -0.822 0 CA-C-N 115.555 -0.748 . . . . 20.0 109.26 177.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -77.87 48.08 2.53 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.81 2.34 . . . . 20.0 112.447 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -166.41 93.56 0.5 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.439 -0.8 . . . . 20.0 110.355 -178.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 56.7 mt -101.03 116.11 64.4 Favored Pre-proline 0 C--N 1.319 -0.757 0 CA-C-N 115.958 -0.564 . . . . 20.0 109.571 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -63.54 119.67 6.81 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.265 1.977 . . . . 20.0 111.825 -175.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.705 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 12.7 p-80 -66.01 -27.35 68.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.425 -0.352 . . . . 20.0 110.162 -178.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -60.73 -26.92 67.54 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.118 -0.492 . . . . 20.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -67.86 -36.08 79.66 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.722 -0.672 . . . . 20.0 110.138 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.5 t -91.29 -27.63 4.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.401 -0.818 . . . . 20.0 111.388 -176.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.705 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 34.5 mm-40 -50.56 -34.55 26.1 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.04 -0.527 . . . . 20.0 112.198 -178.139 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 ptp180 -57.08 -30.83 64.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.362 . . . . 20.0 111.159 -176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 57.4 mtt180 -91.23 -39.98 11.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.168 0.508 . . . . 20.0 110.186 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.6 mmt -64.72 -40.56 95.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.775 -0.648 . . . . 20.0 111.381 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.26 -28.84 68.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.946 0.403 . . . . 20.0 111.164 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -80.41 -46.01 16.7 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.649 177.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 4.8 mmp_? -68.4 -45.49 72.52 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.068 -0.514 . . . . 20.0 111.156 -177.03 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.557 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 23.7 m-85 -72.36 -19.69 61.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.183 -0.462 . . . . 20.0 111.36 -178.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.76 -38.67 78.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.094 0.473 . . . . 20.0 110.479 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.88 -28.49 62.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.664 -0.698 . . . . 20.0 110.751 178.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 63.0 mtt -91.42 6.09 46.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.78 -0.646 . . . . 20.0 111.505 -177.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.557 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 63.9 mtp180 -87.79 -21.04 25.33 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.04 0.385 . . . . 20.0 112.04 -177.198 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.6 tttm -160.81 142.39 12.12 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.84 0.352 . . . . 20.0 110.953 -177.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -92.52 153.09 19.28 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.622 -0.717 . . . . 20.0 110.355 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.503 ' HD2' ' N ' ' A' ' 60' ' ' ARG . 4.5 mpt_? -92.43 155.77 17.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.116 -0.493 . . . . 20.0 109.674 179.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.1 p -77.64 56.09 1.42 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.337 0.589 . . . . 20.0 110.413 176.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -86.67 107.22 18.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.671 -0.695 . . . . 20.0 110.316 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.367 -0.825 . . . . 20.0 109.194 -179.594 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.484 1.238 0 CA-C-O 120.634 0.254 . . . . 20.0 110.717 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -138.18 99.33 3.84 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.813 0.34 . . . . 20.0 110.531 178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -131.97 89.35 2.67 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.328 -0.396 . . . . 20.0 110.022 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 62.6 tttp 57.68 84.41 0.1 Allowed 'General case' 0 N--CA 1.464 0.266 0 O-C-N 123.862 0.726 . . . . 20.0 110.208 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -59.29 118.06 5.51 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.679 -0.692 . . . . 20.0 112.487 -175.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -114.88 -21.9 9.89 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.096 -0.956 . . . . 20.0 108.569 172.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -64.27 -53.39 49.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 114.557 -1.201 . . . . 20.0 111.789 -177.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -77.76 -30.3 51.44 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.094 0.473 . . . . 20.0 110.503 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.53 -37.76 84.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.604 -0.725 . . . . 20.0 110.894 179.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.1 m-80 66.33 160.47 0.14 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.322 0.582 . . . . 20.0 111.577 -179.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 90.0 mtt180 -126.84 141.24 51.87 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.51 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.5 -79.75 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.993 0.808 . . . . 20.0 112.284 178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 84.0 mt -128.17 122.71 32.55 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.887 0.375 . . . . 20.0 110.958 -175.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m -88.91 154.94 50.15 Favored Pre-proline 0 C--N 1.32 -0.685 0 N-CA-C 109.126 -0.694 . . . . 20.0 109.126 174.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.25 50.91 0.99 Allowed 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 123.17 2.58 . . . . 20.0 112.619 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -170.48 55.93 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.551 -0.749 . . . . 20.0 109.388 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.9 m -89.48 137.09 22.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.906 -0.588 . . . . 20.0 111.273 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.0 t 62.95 43.21 6.89 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.566 -0.743 . . . . 20.0 111.144 175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -74.65 101.58 4.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 20.0 110.082 176.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -81.73 76.18 8.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.308 -0.405 . . . . 20.0 111.258 -178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -68.94 -52.77 25.66 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.77 -0.826 . . . . 20.0 108.77 174.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 41.6 p 44.72 57.62 4.42 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 115.07 -0.968 . . . . 20.0 112.525 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.2 tp -65.05 -30.47 50.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.322 -0.399 . . . . 20.0 110.886 -175.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -65.17 -44.04 89.76 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.256 0.55 . . . . 20.0 110.001 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 -68.35 -40.48 81.52 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.55 -0.75 . . . . 20.0 110.217 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -69.63 -25.9 64.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.873 -0.603 . . . . 20.0 111.488 -177.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -65.73 -38.84 90.27 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.927 -0.309 . . . . 20.0 110.175 175.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 31.6 m -79.57 -33.27 41.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.06 0.457 . . . . 20.0 110.366 178.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -66.48 -34.93 79.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.159 -0.473 . . . . 20.0 109.775 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -59.08 -37.45 77.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.446 -0.797 . . . . 20.0 111.503 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.41 -40.77 96.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.132 0.491 . . . . 20.0 110.193 179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -71.61 -34.75 70.11 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.706 -0.679 . . . . 20.0 109.934 176.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.406 HD11 ' HD3' ' A' ' 28' ' ' LYS . 25.0 tp -70.09 -11.71 61.08 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.441 -0.799 . . . . 20.0 111.094 -178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.545 ' O ' HG12 ' A' ' 29' ' ' VAL . 56.8 ttt180 -67.53 -18.09 64.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.108 0.48 . . . . 20.0 110.709 179.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.46 -23.33 50.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.17 0.51 . . . . 20.0 110.591 176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.593 ' O ' HG22 ' A' ' 31' ' ' THR . 56.8 tttm -76.53 -24.31 53.67 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.716 -0.675 . . . . 20.0 111.013 -176.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 26' ' ' ARG . 9.9 p -80.39 -9.1 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.35 0.595 . . . . 20.0 110.275 178.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.0 7.23 11.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.787 -0.642 . . . . 20.0 111.436 -177.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.593 HG22 ' O ' ' A' ' 28' ' ' LYS . 14.2 t -82.23 -167.23 1.49 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.403 -0.362 . . . . 20.0 110.311 -178.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.5 p -56.54 138.64 51.57 Favored 'General case' 0 C--O 1.236 0.361 0 N-CA-C 110.046 -0.354 . . . . 20.0 110.046 177.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -63.61 120.25 11.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.137 0.494 . . . . 20.0 110.881 -173.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.469 ' O ' ' HD3' ' A' ' 36' ' ' PRO . . . -137.37 141.4 41.77 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.465 -0.789 . . . . 20.0 109.272 175.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -112.77 92.67 21.16 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-O 120.726 0.298 . . . . 20.0 111.185 -178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.651 ' O ' ' HG2' ' A' ' 37' ' ' ARG . 7.3 Cg_exo -72.85 124.45 9.69 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.717 2.278 . . . . 20.0 110.504 174.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.651 ' HG2' ' O ' ' A' ' 36' ' ' PRO . 34.4 ptt180 55.0 116.13 0.01 OUTLIER Pre-proline 0 N--CA 1.477 0.88 0 O-C-N 124.616 1.197 . . . . 20.0 111.712 -175.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -69.99 1.89 4.17 Favored 'Trans proline' 0 CA--C 1.532 0.395 0 C-N-CA 122.638 2.225 . . . . 20.0 113.693 -174.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.63 40.13 13.69 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.848 -0.615 . . . . 20.0 111.229 177.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.2 pt -86.36 131.89 44.74 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.757 -0.656 . . . . 20.0 111.126 -178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.18 118.97 5.91 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.711 2.274 . . . . 20.0 111.458 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -85.52 -38.29 18.71 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 121.004 -0.278 . . . . 20.0 111.669 -172.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.665 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 15.0 t70 -62.65 -47.3 84.3 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.623 0.249 . . . . 20.0 110.836 -178.661 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 17.6 tp10 -56.19 -46.39 79.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.87 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.9 t -68.11 -42.9 85.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.097 -0.501 . . . . 20.0 111.02 -179.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -59.73 -39.95 86.43 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.681 . . . . 20.0 111.494 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.665 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 22.2 mmt180 -73.15 -29.95 63.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.794 0.33 . . . . 20.0 110.607 -177.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 92.7 mtt180 -72.56 -42.66 64.4 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.051 0.453 . . . . 20.0 110.078 177.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 89.8 mmm -67.71 -27.7 67.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.777 179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.89 -41.99 79.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 20.0 111.353 178.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -70.06 -28.5 65.5 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.075 -0.511 . . . . 20.0 110.621 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -75.94 -44.64 39.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.748 -0.66 . . . . 20.0 109.735 178.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -67.81 -23.3 65.17 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.489 -0.778 . . . . 20.0 110.88 -178.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -54.66 -42.54 71.43 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.1 -0.5 . . . . 20.0 111.09 178.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -84.49 -19.65 32.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.117 0.484 . . . . 20.0 110.568 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 86.2 mtp -76.21 -10.54 59.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.969 -0.559 . . . . 20.0 110.351 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -72.28 -6.25 41.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.627 176.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp 73.16 170.08 0.31 Allowed 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.529 -0.76 . . . . 20.0 111.758 174.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -101.17 119.92 39.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.495 -0.775 . . . . 20.0 110.724 -177.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.8 ttp180 -65.83 -39.22 90.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.768 -0.651 . . . . 20.0 110.271 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.3 t -79.57 111.83 16.23 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.856 -0.611 . . . . 20.0 109.751 178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -92.34 120.21 32.64 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 110.124 -0.325 . . . . 20.0 110.124 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 . . . . . 0 C--O 1.247 0.931 0 CA-C-O 118.511 -0.757 . . . . 20.0 110.514 -178.518 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 51.4 ttm . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 120.781 0.324 . . . . 20.0 110.341 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -84.11 66.56 9.32 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.443 0.639 . . . . 20.0 110.622 -178.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -148.8 105.97 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.525 -0.761 . . . . 20.0 109.914 178.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -99.75 -10.78 21.46 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.77 -0.456 . . . . 20.0 109.77 176.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 63.99 -179.69 0.16 Allowed 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.129 -0.941 . . . . 20.0 111.114 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -97.4 -37.06 10.16 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.773 -0.825 . . . . 20.0 108.773 172.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 30.3 t70 55.71 92.25 0.03 OUTLIER 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.039 -0.982 . . . . 20.0 112.117 173.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -83.87 -4.32 58.59 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.146 -0.933 . . . . 20.0 110.696 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -81.84 -16.84 49.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.969 -0.56 . . . . 20.0 110.651 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.482 ' HB3' ' HB2' ' A' ' 5' ' ' LEU . 15.0 m120 64.91 53.9 1.37 Allowed 'General case' 0 CA--C 1.522 -0.129 0 CA-C-N 115.157 -0.929 . . . . 20.0 110.834 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 11.9 tpt180 -53.15 -44.24 67.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.659 -0.7 . . . . 20.0 111.565 -177.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.17 61.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.809 0.338 . . . . 20.0 111.564 -176.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.482 ' HB2' ' HB3' ' A' ' 2' ' ' ASN . 88.0 mt -105.09 15.29 27.83 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.095 0.474 . . . . 20.0 110.472 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.2 m -129.28 90.74 43.89 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.694 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -68.36 -22.04 40.14 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.56 2.173 . . . . 20.0 111.29 177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.2 mtt 71.37 150.21 0.09 Allowed 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.136 -0.938 . . . . 20.0 112.184 177.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -157.14 133.03 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.444 -0.798 . . . . 20.0 109.889 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 65.1 m -152.63 137.96 17.53 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.959 -0.386 . . . . 20.0 109.959 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 11' ' ' GLU . 25.0 mp0 -70.55 112.78 7.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.241 -0.436 . . . . 20.0 110.421 -176.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.663 ' O ' ' HG2' ' A' ' 13' ' ' GLU . 38.7 t80 64.85 174.36 0.2 Allowed 'General case' 0 CA--C 1.535 0.391 0 O-C-N 123.752 0.658 . . . . 20.0 110.742 178.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.663 ' HG2' ' O ' ' A' ' 12' ' ' PHE . 9.0 pt-20 66.89 -45.09 0.45 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 125.592 1.557 . . . . 20.0 113.305 174.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.5 p -127.82 71.78 1.38 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.313 0.578 . . . . 20.0 110.957 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm -107.64 124.74 63.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.514 -0.766 . . . . 20.0 109.63 176.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -58.64 -47.82 83.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.439 -0.801 . . . . 20.0 112.265 -176.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -68.96 -28.1 66.32 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.729 -0.388 . . . . 20.0 110.819 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -70.65 -43.09 69.89 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.086 -0.709 . . . . 20.0 109.086 177.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -64.45 -24.85 67.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.753 -0.658 . . . . 20.0 110.061 177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.5 m -71.44 -27.43 63.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.824 -0.625 . . . . 20.0 110.401 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -77.66 -23.29 49.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.536 -0.302 . . . . 20.0 110.654 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -62.43 -36.67 83.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.552 0.692 . . . . 20.0 109.382 170.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -67.7 -41.5 83.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.995 -1.002 . . . . 20.0 110.437 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.479 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 92.0 m95 -68.72 -30.84 69.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.702 176.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 28' ' ' LYS . 51.0 tp -65.65 -43.32 89.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.367 -0.378 . . . . 20.0 110.229 177.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 86.9 mtt180 -70.56 -25.84 63.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.949 0.404 . . . . 20.0 110.461 177.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.62 -16.65 60.19 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 20.0 111.1 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.492 ' HA ' ' OG1' ' A' ' 31' ' ' THR . 67.3 mttm -69.36 -10.61 58.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.315 -0.402 . . . . 20.0 111.255 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t -70.54 -33.59 53.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.158 0.504 . . . . 20.0 110.426 176.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -148.48 63.55 1.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.027 -0.533 . . . . 20.0 110.896 -178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.492 ' OG1' ' HA ' ' A' ' 28' ' ' LYS . 3.6 m -82.96 68.44 9.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.226 0.536 . . . . 20.0 110.604 -178.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.5 m -90.73 76.83 6.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.63 -179.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 pp -101.77 8.9 41.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.244 0.545 . . . . 20.0 110.718 179.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 64.19 64.13 0.75 Allowed 'General case' 0 C--O 1.232 0.162 0 CA-C-N 114.68 -1.146 . . . . 20.0 111.939 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -108.06 110.68 62.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-O 121.293 0.568 . . . . 20.0 110.12 175.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -79.88 -9.91 14.25 Favored 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.511 2.14 . . . . 20.0 112.454 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 52.0 ttt180 -125.48 126.35 25.04 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.384 -0.371 . . . . 20.0 110.749 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -72.61 91.78 0.78 Allowed 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.393 2.062 . . . . 20.0 110.945 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -100.3 138.49 37.3 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.877 -0.602 . . . . 20.0 110.865 -176.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.5 mt -74.0 118.8 72.42 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.949 -0.568 . . . . 20.0 109.555 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.63 118.93 5.83 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.233 1.956 . . . . 20.0 111.726 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.634 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 62.8 m170 -71.69 -25.09 61.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.27 -0.423 . . . . 20.0 110.356 -178.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -62.72 -29.48 70.7 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.278 -0.419 . . . . 20.0 110.517 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -68.35 -42.24 79.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.798 -0.637 . . . . 20.0 109.752 176.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.1 t -68.15 -35.86 73.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.194 -0.912 . . . . 20.0 110.596 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.634 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 34.7 mt-10 -57.36 -32.77 67.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 20.0 111.684 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -71.14 -25.89 62.76 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.021 0.439 . . . . 20.0 110.889 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 48' ' ' ARG . 3.3 mmp_? -89.96 -41.27 11.85 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.414 0.625 . . . . 20.0 110.154 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.594 ' SD ' ' HD3' ' A' ' 52' ' ' ARG . 39.4 tpp -67.14 -18.81 65.45 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.238 -0.892 . . . . 20.0 110.338 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -50.47 -38.49 44.1 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.372 -0.831 . . . . 20.0 111.76 177.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -61.7 -37.85 85.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.302 -0.408 . . . . 20.0 111.054 -179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.594 ' HD3' ' SD ' ' A' ' 49' ' ' MET . 53.4 mtp180 -75.72 -39.42 57.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.314 -0.403 . . . . 20.0 110.329 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 18.9 m-85 -62.33 -44.63 96.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.36 177.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.95 99.56 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.17 -0.468 . . . . 20.0 111.398 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -68.01 -33.52 74.77 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.733 0.301 . . . . 20.0 111.226 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 56.2 ttp -76.47 -38.96 54.53 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.236 0.541 . . . . 20.0 110.301 178.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.1 ttt180 -72.06 -20.41 61.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.426 -0.806 . . . . 20.0 110.348 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 59' ' ' GLU . 36.9 mtmm 59.43 43.64 16.1 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.372 -1.285 . . . . 20.0 112.235 172.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' ' 58' ' ' LYS . 46.6 mt-10 74.72 114.58 0.06 Allowed 'General case' 0 N--CA 1.466 0.374 0 O-C-N 124.124 0.89 . . . . 20.0 111.645 178.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.6 ptm180 -69.81 -25.67 63.88 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.683 -0.689 . . . . 20.0 111.225 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.6 p -121.61 40.71 3.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.131 0.491 . . . . 20.0 110.747 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HB2' ' HB2' ' A' ' 59' ' ' GLU . 63.9 tttp -60.58 134.5 57.14 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.567 -0.742 . . . . 20.0 111.348 -178.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 C--O 1.247 0.925 0 CA-C-O 118.493 -0.765 . . . . 20.0 109.863 176.054 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 92.5 mtp . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.517 0.199 . . . . 20.0 110.708 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 54.75 73.55 0.4 Allowed 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.066 -0.516 . . . . 20.0 111.742 178.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -79.24 86.99 4.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.954 0.407 . . . . 20.0 110.192 177.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 57.1 pttt -122.64 130.36 52.89 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.091 -0.504 . . . . 20.0 110.254 178.414 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -165.15 -52.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.964 0.411 . . . . 20.0 110.458 -177.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -92.43 -65.69 0.98 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.927 -0.579 . . . . 20.0 109.763 178.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . 0.41 ' HA ' ' OD1' ' A' ' 2' ' ' ASN . 1.0 OUTLIER 66.42 -1.42 1.25 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 114.935 -1.03 . . . . 20.0 112.779 172.783 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -91.79 -39.65 11.66 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.254 0.55 . . . . 20.0 110.396 179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -85.67 -5.61 59.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.738 -0.665 . . . . 20.0 110.656 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.41 ' OD1' ' HA ' ' A' ' -1' ' ' ASP . 7.1 p30 -130.54 -159.54 0.97 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.629 -0.714 . . . . 20.0 109.827 177.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 67.17 42.52 2.29 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 121.572 0.701 . . . . 20.0 109.19 -174.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.43 166.48 21.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.957 -1.02 . . . . 20.0 111.111 -176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 58.19 42.12 22.55 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-O 121.308 0.575 . . . . 20.0 110.422 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.8 t -120.79 122.33 28.51 Favored Pre-proline 0 C--N 1.32 -0.708 0 CA-C-N 115.535 -0.757 . . . . 20.0 109.612 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -64.18 -30.45 64.81 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.626 2.217 . . . . 20.0 111.996 -179.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.9 ttt 50.69 57.97 6.04 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.618 0.723 . . . . 20.0 110.554 178.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.7 m -120.95 174.19 5.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.36 -0.837 . . . . 20.0 110.601 -177.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.2 m 62.23 47.53 5.43 Favored 'General case' 0 C--N 1.329 -0.302 0 O-C-N 123.596 0.56 . . . . 20.0 110.835 178.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -85.72 73.11 10.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.849 0.833 . . . . 20.0 109.933 177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -82.13 136.25 35.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.018 -0.992 . . . . 20.0 110.638 -177.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 62.95 -92.87 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.784 0.678 . . . . 20.0 110.856 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 73.7 p 49.62 -159.52 0.07 Allowed 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.398 0.679 . . . . 20.0 111.568 -179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.5 mm -91.56 -24.43 5.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 N-CA-C 109.117 -0.697 . . . . 20.0 109.117 171.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -51.29 -45.66 62.22 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 114.989 -1.005 . . . . 20.0 112.362 -174.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 17.6 tm0? -59.55 -44.96 93.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.699 0.285 . . . . 20.0 110.783 -175.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -78.56 -37.9 41.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.881 0.372 . . . . 20.0 110.947 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -64.27 -40.89 96.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.297 -0.411 . . . . 20.0 110.677 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 42.3 p -72.64 -21.35 61.11 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.582 179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -72.32 -36.86 68.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.524 -0.547 . . . . 20.0 109.524 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -66.1 -39.08 89.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.067 -0.515 . . . . 20.0 109.837 174.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -65.72 -36.39 83.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.827 -0.624 . . . . 20.0 109.686 175.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -67.75 -32.92 73.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.863 -0.608 . . . . 20.0 110.61 176.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.5 tp -67.54 -30.03 69.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.233 0.54 . . . . 20.0 109.999 176.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 24.3 mmm180 -79.99 -24.92 40.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.757 -0.656 . . . . 20.0 110.25 174.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.26 -15.51 60.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.201 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 54.1 tttp -72.47 -31.74 65.66 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.927 -0.768 . . . . 20.0 108.927 173.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.5 t -74.5 -50.24 27.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.234 -0.893 . . . . 20.0 110.216 176.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -119.64 87.8 2.81 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.606 . . . . 20.0 109.67 177.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.0 m -82.19 -12.14 58.29 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.926 -0.579 . . . . 20.0 111.54 -172.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -101.63 33.21 3.05 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.524 0.678 . . . . 20.0 109.682 177.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -63.99 -36.02 82.6 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.301 -0.863 . . . . 20.0 109.515 179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 67.7 -78.59 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.16 -0.927 . . . . 20.0 112.244 175.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -124.22 135.59 26.61 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 109.978 -0.379 . . . . 20.0 109.978 -176.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.95 10.93 1.26 Allowed 'Trans proline' 0 CA--C 1.529 0.274 0 C-N-CA 122.738 2.292 . . . . 20.0 112.567 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 70.29 97.66 0.04 OUTLIER Pre-proline 0 N--CA 1.461 0.099 0 O-C-N 124.253 0.97 . . . . 20.0 110.694 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -75.69 42.47 0.94 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.964 2.442 . . . . 20.0 112.115 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -170.38 76.49 0.08 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 114.844 -1.071 . . . . 20.0 108.716 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.453 HD12 ' H ' ' A' ' 40' ' ' ILE . 4.5 mp -78.2 119.15 76.23 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.78 -0.645 . . . . 20.0 110.121 -176.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.478 ' O ' HG23 ' A' ' 45' ' ' VAL . 30.5 Cg_endo -65.48 148.38 87.73 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.788 2.325 . . . . 20.0 111.74 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -64.93 -23.24 67.16 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 115.936 -0.574 . . . . 20.0 112.332 -170.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -68.43 -41.02 80.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.023 0.439 . . . . 20.0 110.269 175.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -79.91 -32.36 40.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.753 -0.658 . . . . 20.0 110.727 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 41' ' ' PRO . 82.0 t -55.45 -47.09 78.78 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 120.883 0.373 . . . . 20.0 110.258 176.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.75 -45.2 92.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.684 -0.689 . . . . 20.0 110.489 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -60.93 -45.28 95.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.955 -0.566 . . . . 20.0 110.231 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -64.37 -37.5 87.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.029 -0.532 . . . . 20.0 111.057 -179.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 23.3 mmt -72.69 -34.57 67.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.539 -0.3 . . . . 20.0 111.176 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.32 -42.74 92.65 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.096 0.474 . . . . 20.0 109.924 174.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.538 ' O ' ' HG2' ' A' ' 55' ' ' LYS . 21.9 mm-40 -68.03 -30.0 69.12 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.597 -0.729 . . . . 20.0 110.666 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' A' ' 56' ' ' MET . 9.9 tpt180 -61.17 -52.63 64.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.749 -0.659 . . . . 20.0 110.266 177.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.405 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 82.2 t80 -70.27 -30.07 67.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.889 -177.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.81 -66.65 0.52 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.279 -0.419 . . . . 20.0 112.059 -177.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 51' ' ' GLU . 20.1 pttm -74.76 -43.78 53.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.911 0.386 . . . . 20.0 111.514 -175.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.453 ' HB2' ' O ' ' A' ' 52' ' ' ARG . 66.5 mtt -83.69 12.04 6.45 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.48 -0.327 . . . . 20.0 111.332 -176.613 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 25.5 ttm180 -49.96 -40.47 44.01 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.454 0.645 . . . . 20.0 109.49 172.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' HB3' ' OXT' ' A' ' 63' ' ' GLN . 99.3 mttt -131.19 -37.53 1.25 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.177 -0.92 . . . . 20.0 110.616 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -171.32 -79.26 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.139 0 N-CA-C 110.341 -0.244 . . . . 20.0 110.341 175.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 59.8 ttt180 -124.21 -43.46 2.07 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.656 -0.247 . . . . 20.0 111.061 177.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.3 t -163.14 97.44 0.91 Allowed 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.971 -0.291 . . . . 20.0 110.962 179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt 51.1 75.6 0.19 Allowed 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.574 0.546 . . . . 20.0 111.722 177.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.446 ' OXT' ' HB3' ' A' ' 58' ' ' LYS . 47.5 mt-30 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.428 -0.796 . . . . 20.0 110.784 -177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 19.7 ptp . . . . . 0 N--CA 1.48 1.047 0 CA-C-O 120.97 0.414 . . . . 20.0 110.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . 0.422 ' CG ' ' H ' ' A' ' -5' ' ' TYR . 1.7 p-10 -148.95 -83.67 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.107 -0.497 . . . . 20.0 110.927 -177.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . 0.422 ' H ' ' CG ' ' A' ' -6' ' ' ASP . 97.1 m-85 -144.45 53.83 1.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.467 -0.568 . . . . 20.0 109.467 177.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.524 ' HE3' ' HA ' ' A' ' -4' ' ' LYS . 0.1 OUTLIER -85.87 -77.19 0.31 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.385 -0.37 . . . . 20.0 110.855 -174.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -119.46 62.4 0.81 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.172 0.511 . . . . 20.0 110.052 -179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.436 ' O ' ' HB2' ' A' ' 2' ' ' ASN . 20.7 m-20 -55.73 -63.1 1.28 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.161 -0.927 . . . . 20.0 111.853 -173.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -93.87 -16.18 24.3 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 120.976 -0.29 . . . . 20.0 110.879 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -68.81 -67.36 0.48 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.025 -0.534 . . . . 20.0 111.965 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -82.06 -16.53 49.8 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.322 0.489 . . . . 20.0 112.322 -172.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' -2' ' ' ASP . 48.8 m-80 -89.28 -65.24 1.04 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.85 -0.34 . . . . 20.0 110.727 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 66.45 177.89 0.22 Allowed 'General case' 0 C--O 1.236 0.378 0 O-C-N 123.613 0.571 . . . . 20.0 111.302 -177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.75 174.54 0.25 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.826 -0.625 . . . . 20.0 110.797 -177.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.2 mp -113.29 70.09 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.174 0.512 . . . . 20.0 110.722 -177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.5 m -112.89 92.96 22.39 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.686 -0.688 . . . . 20.0 109.773 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -75.63 -167.27 0.42 Allowed 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.727 2.285 . . . . 20.0 112.638 -176.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER 64.39 44.07 4.36 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.899 -0.591 . . . . 20.0 110.446 -177.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 47.2 t -78.97 101.25 4.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.55 -0.75 . . . . 20.0 109.342 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -141.26 -2.04 1.3 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.299 -0.41 . . . . 20.0 111.09 -176.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -82.94 75.6 9.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.385 0.612 . . . . 20.0 110.309 -178.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -108.13 27.07 9.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.609 -0.723 . . . . 20.0 109.703 176.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 59.04 39.12 23.76 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.325 -0.852 . . . . 20.0 110.905 -176.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.0 p -133.57 42.92 2.94 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.104 -0.953 . . . . 20.0 110.406 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.3 mm -106.16 -20.84 5.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.754 -0.657 . . . . 20.0 110.382 -177.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.61 -34.0 70.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.857 -178.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -60.52 -34.29 73.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.903 -0.59 . . . . 20.0 111.273 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.27 -30.96 25.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.067 0.46 . . . . 20.0 110.376 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.1 t30 -68.49 -15.49 63.56 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.517 -0.765 . . . . 20.0 110.47 -179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.7 m -57.49 -12.0 2.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.79 -0.641 . . . . 20.0 112.109 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 18.2 p90 -64.05 -25.91 68.32 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.715 0.293 . . . . 20.0 110.383 178.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -65.2 -34.61 78.78 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.28 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.64 -48.2 82.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.583 -0.735 . . . . 20.0 110.515 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -77.23 -25.78 51.94 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.946 0.403 . . . . 20.0 110.333 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.6 tt -63.48 -48.12 78.95 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.057 -0.519 . . . . 20.0 109.85 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.44 ' O ' HG12 ' A' ' 29' ' ' VAL . 39.6 ptt180 -72.52 -11.21 60.57 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.025 0.441 . . . . 20.0 111.092 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.31 -30.94 25.14 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.244 0.545 . . . . 20.0 110.14 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -90.8 -15.8 29.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.659 -0.7 . . . . 20.0 111.358 -178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.44 HG12 ' O ' ' A' ' 26' ' ' ARG . 5.1 p -70.86 -19.7 21.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.413 0.625 . . . . 20.0 109.521 174.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.53 67.64 1.48 Allowed 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.336 -0.847 . . . . 20.0 109.599 176.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.3 t -103.73 35.17 2.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.669 -0.696 . . . . 20.0 110.465 -176.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.8 m 73.26 149.61 0.1 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.442 -0.799 . . . . 20.0 111.043 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.3 mt -115.12 -18.61 11.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.143 -0.481 . . . . 20.0 110.607 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -89.94 173.15 8.38 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.088 -0.505 . . . . 20.0 110.36 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -120.06 90.97 45.17 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.61 -0.268 . . . . 20.0 110.319 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -76.69 -7.98 17.88 Favored 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 122.525 2.15 . . . . 20.0 112.189 177.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -131.04 149.71 74.51 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.802 -0.635 . . . . 20.0 109.958 -179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_exo -75.65 61.67 6.21 Favored 'Trans proline' 0 C--O 1.237 0.44 0 C-N-CA 122.816 2.344 . . . . 20.0 111.254 176.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -101.67 134.2 45.19 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.381 -0.827 . . . . 20.0 110.925 -176.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 76.7 mt -67.56 118.98 62.36 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 115.609 -0.723 . . . . 20.0 109.589 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.95 119.12 6.1 Favored 'Trans proline' 0 N--CA 1.46 -0.458 0 C-N-CA 122.441 2.094 . . . . 20.0 112.398 -174.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.491 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 35.3 m170 -72.35 -27.56 62.48 Favored 'General case' 0 CA--C 1.514 -0.405 0 N-CA-C 109.036 -0.727 . . . . 20.0 109.036 175.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.652 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 13.6 m-20 -56.82 -32.87 66.16 Favored 'General case' 0 C--O 1.224 -0.272 0 CA-C-N 115.168 -0.924 . . . . 20.0 110.706 178.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -58.58 -41.68 86.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.976 -0.557 . . . . 20.0 110.913 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 75.0 t -70.03 -39.31 77.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.475 0.655 . . . . 20.0 110.285 178.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 31.1 mt-10 -74.48 -18.89 60.56 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.135 -0.939 . . . . 20.0 111.32 -176.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.652 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 26.8 mmm180 -54.65 -44.23 73.04 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.689 0.28 . . . . 20.0 110.872 178.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.2 mtm180 -68.11 -25.2 65.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.01 -0.541 . . . . 20.0 110.704 -178.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 61.1 mtt -81.76 -43.25 18.64 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.361 0.601 . . . . 20.0 109.459 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.14 -25.2 66.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.251 -0.886 . . . . 20.0 111.293 179.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 57.2 mm-40 -56.94 -33.87 67.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.163 -0.472 . . . . 20.0 111.34 177.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.526 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 4.3 mmp_? -92.03 -42.33 10.03 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.739 0.305 . . . . 20.0 111.679 179.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -88.03 -51.29 5.89 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.22 0.452 . . . . 20.0 112.22 -172.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 58' ' ' LYS . . . -79.33 -14.56 58.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.568 -174.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.577 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 0.6 OUTLIER -90.64 -16.51 28.49 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.842 0.353 . . . . 20.0 110.469 175.872 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 16.5 tpt -89.06 -61.59 1.67 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.363 -0.38 . . . . 20.0 110.842 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 66.4 ttt180 -105.92 -38.81 6.22 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.951 -0.3 . . . . 20.0 110.497 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 54' ' ' ALA . 22.8 ttmm 74.62 -39.94 0.43 Allowed 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 115.769 -0.65 . . . . 20.0 112.609 176.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -79.86 44.79 0.66 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.219 0.533 . . . . 20.0 110.848 -177.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.2 ptm180 -178.04 177.35 1.04 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.118 -0.697 . . . . 20.0 109.118 177.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 m 60.38 46.04 10.38 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 123.549 0.531 . . . . 20.0 111.457 175.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -82.76 -11.79 58.02 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.985 -0.376 . . . . 20.0 109.985 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.254 -0.879 . . . . 20.0 110.611 179.474 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 27.2 ptm . . . . . 0 N--CA 1.482 1.16 0 CA-C-O 120.58 0.229 . . . . 20.0 110.894 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -156.06 -40.08 0.08 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.72 0.295 . . . . 20.0 110.679 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -149.43 33.5 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.929 0.871 . . . . 20.0 109.418 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.465 ' O ' ' HG2' ' A' ' -4' ' ' LYS . 26.8 tttm -104.29 52.25 0.76 Allowed 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.528 -0.915 . . . . 20.0 108.528 178.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.6 t70 59.94 27.16 16.49 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 114.973 -1.012 . . . . 20.0 109.785 -175.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -78.2 -68.33 0.65 Allowed 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 115.766 -0.652 . . . . 20.0 110.351 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 53.91 76.83 0.21 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 115.531 -0.759 . . . . 20.0 111.678 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -68.97 -31.91 71.1 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.064 0.459 . . . . 20.0 110.441 178.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 60.4 tttp -88.45 -10.15 50.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.628 -0.715 . . . . 20.0 110.37 178.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.7 m120 59.51 -86.98 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.827 -0.624 . . . . 20.0 110.46 -174.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -135.0 -53.27 0.8 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.574 -0.528 . . . . 20.0 109.574 174.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.65 25.6 1.98 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.943 -0.571 . . . . 20.0 110.413 178.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.0 tt -101.14 115.16 29.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.961 -0.563 . . . . 20.0 109.69 -177.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.7 m -68.29 117.71 52.22 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.424 -0.353 . . . . 20.0 110.426 178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -66.9 100.69 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.497 2.131 . . . . 20.0 111.769 -178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 42.3 ttm -147.96 137.66 22.48 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.133 -177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 89.6 t -63.41 103.68 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.934 0.397 . . . . 20.0 110.778 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.5 p -79.69 -15.86 56.77 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.966 -0.561 . . . . 20.0 110.751 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -84.44 36.2 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.258 0.552 . . . . 20.0 110.384 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -84.83 153.29 23.04 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.637 -0.71 . . . . 20.0 109.585 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -143.51 156.39 44.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.481 -0.327 . . . . 20.0 110.523 -177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -133.02 128.19 35.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.225 0.536 . . . . 20.0 109.936 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.7 mt -111.36 121.88 64.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.862 -0.608 . . . . 20.0 110.432 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -62.71 -35.4 79.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.322 -0.854 . . . . 20.0 110.834 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -65.2 -30.75 71.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 20.0 111.078 -179.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -77.07 -37.09 55.2 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.028 0.442 . . . . 20.0 110.458 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -78.26 -30.47 48.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.099 -0.501 . . . . 20.0 110.909 -178.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 54.8 p -72.62 -33.8 66.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.95 0.405 . . . . 20.0 109.975 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 74.1 t80 -69.69 -37.47 76.63 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.997 -0.547 . . . . 20.0 109.91 175.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.533 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 24.8 t-20 -66.84 -37.74 85.07 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 109.334 -0.617 . . . . 20.0 109.334 175.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.52 -37.28 86.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.657 -0.701 . . . . 20.0 109.999 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 82.7 t90 -64.29 -33.48 75.93 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.393 -0.821 . . . . 20.0 110.09 175.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -77.61 -36.05 52.19 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.1 -0.5 . . . . 20.0 109.983 -179.32 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 32.3 mmt180 -60.38 -27.32 67.32 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.311 -0.404 . . . . 20.0 110.574 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.97 -28.21 69.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.951 -0.568 . . . . 20.0 110.989 177.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -82.69 -34.35 27.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.832 -0.622 . . . . 20.0 110.239 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.6 t -72.86 -51.55 26.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.913 -0.585 . . . . 20.0 110.695 178.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -121.83 75.7 1.22 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.057 -0.52 . . . . 20.0 110.68 -177.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 31.5 m -70.36 -47.31 61.54 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.079 -0.509 . . . . 20.0 110.934 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.6 t -152.29 64.39 0.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.526 -0.546 . . . . 20.0 109.526 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.1 mt -109.13 19.63 19.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.979 -0.555 . . . . 20.0 111.141 -176.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -75.56 87.53 2.67 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.132 0.491 . . . . 20.0 110.198 178.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -131.59 122.02 18.55 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.897 -0.592 . . . . 20.0 110.203 -176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -89.1 16.52 1.8 Allowed 'Trans proline' 0 CA--C 1.533 0.452 0 C-N-CA 123.056 2.504 . . . . 20.0 113.996 -176.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.5 ptp180 -141.48 89.22 9.42 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-O 121.023 0.44 . . . . 20.0 111.803 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -59.08 109.54 0.55 Allowed 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.43 2.087 . . . . 20.0 110.881 176.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -70.92 111.19 6.13 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.972 -0.558 . . . . 20.0 111.164 -176.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.0 mt -98.43 111.06 59.01 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 115.857 -0.61 . . . . 20.0 110.342 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HG2' ' HB2' ' A' ' 44' ' ' GLU . 52.7 Cg_endo -77.26 128.07 9.51 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 122.197 1.931 . . . . 20.0 110.81 176.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.8 p80 -63.82 -22.92 67.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.857 0.361 . . . . 20.0 110.542 -177.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -65.75 -32.96 74.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.417 177.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.41 ' HB2' ' HG2' ' A' ' 41' ' ' PRO . 30.0 tt0 -67.48 -40.81 85.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.168 0.508 . . . . 20.0 109.925 176.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 82.4 t -67.78 -50.74 57.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.709 -0.678 . . . . 20.0 110.771 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.34 -26.21 64.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.148 -0.478 . . . . 20.0 111.768 -176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -85.03 -65.32 1.02 Allowed 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.91 0.386 . . . . 20.0 111.025 177.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 33.4 ttm180 -80.52 -58.58 3.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.948 -0.569 . . . . 20.0 111.601 -170.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 95.7 mmm -62.17 -35.43 78.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.792 -174.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.59 -43.05 89.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.75 0.309 . . . . 20.0 111.033 177.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -71.03 -22.18 62.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.016 0.436 . . . . 20.0 110.325 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.413 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 30.0 mmm180 -78.15 -39.37 41.23 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.079 -0.509 . . . . 20.0 109.857 176.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -64.08 -33.14 75.09 Favored 'General case' 0 CA--C 1.52 -0.203 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.168 176.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.17 -39.92 80.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.979 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -77.34 -5.25 48.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.942 -0.572 . . . . 20.0 111.036 -178.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 83.0 mtp -90.76 -26.15 19.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 20.0 109.808 175.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -95.34 -42.31 8.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.545 179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -100.65 137.9 38.43 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.136 -0.484 . . . . 20.0 110.518 -178.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 40.91 46.78 2.45 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.379 1.049 . . . . 20.0 112.625 175.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -84.71 170.2 13.52 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.742 -178.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.9 m 60.2 29.34 18.92 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 115.985 -0.552 . . . . 20.0 111.291 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -116.98 88.1 2.83 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 109.559 -0.534 . . . . 20.0 109.559 -179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.212 0 N-CA-C 109.294 -0.632 . . . . 20.0 109.294 179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 17.6 tpt . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 110.193 -0.299 . . . . 20.0 110.193 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.13 81.05 1.78 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.944 0.402 . . . . 20.0 110.525 -179.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -139.29 56.72 1.67 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 20.0 109.789 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.417 ' O ' ' HD2' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -142.82 152.27 42.02 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.97 0.414 . . . . 20.0 111.352 -177.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -124.84 -21.67 4.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.991 -0.549 . . . . 20.0 110.378 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -98.25 -49.33 4.74 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.669 -0.696 . . . . 20.0 110.674 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 15.5 t70 73.22 115.66 0.06 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.916 0.76 . . . . 20.0 110.411 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -75.2 0.36 16.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.403 -0.817 . . . . 20.0 112.95 -169.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.418 ' H ' ' HE3' ' A' ' 1' ' ' LYS . 0.1 OUTLIER -88.41 0.32 56.36 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.651 -0.42 . . . . 20.0 109.873 177.174 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 60.83 32.26 20.09 Favored 'General case' 0 CA--C 1.517 -0.323 0 CA-C-N 115.455 -0.793 . . . . 20.0 110.332 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.4 ttp180 -85.49 86.55 7.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 114.939 -1.028 . . . . 20.0 110.314 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.21 136.21 33.08 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.119 -0.491 . . . . 20.0 109.702 177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -99.69 18.68 17.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.164 0.507 . . . . 20.0 110.414 -177.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 p -120.43 127.65 26.2 Favored Pre-proline 0 C--N 1.319 -0.731 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.572 179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -66.27 121.15 8.39 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.662 2.241 . . . . 20.0 112.161 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.3 mtt -83.76 62.1 6.72 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.277 0.56 . . . . 20.0 110.546 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.5 p -90.33 151.22 3.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.59 -0.732 . . . . 20.0 110.464 -178.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.2 p 51.87 78.41 0.12 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 123.589 0.755 . . . . 20.0 111.87 178.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -86.3 150.44 24.34 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.033 -0.53 . . . . 20.0 110.286 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -67.32 -24.85 65.78 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.223 177.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -85.48 80.17 9.18 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 108.833 -0.803 . . . . 20.0 108.833 170.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 16.8 p -70.64 123.42 21.82 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.479 -0.782 . . . . 20.0 111.951 -174.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 72.1 mt -102.28 -76.26 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.567 -0.742 . . . . 20.0 110.085 176.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -69.81 -35.33 74.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.254 0.549 . . . . 20.0 110.683 179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' O ' ' HD2' ' A' ' 21' ' ' TYR . 0.4 OUTLIER -64.27 -29.7 70.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.498 -0.773 . . . . 20.0 110.161 178.367 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.66 -38.73 62.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.096 -0.502 . . . . 20.0 109.91 177.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -66.45 -37.68 85.68 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.777 -0.647 . . . . 20.0 110.825 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.7 p -70.69 -44.84 66.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.535 -0.302 . . . . 20.0 110.97 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.434 ' HD2' ' O ' ' A' ' 17' ' ' GLN . 13.2 m-85 -64.71 -33.3 75.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.62 0.247 . . . . 20.0 111.223 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -70.72 -36.34 73.16 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.883 0.373 . . . . 20.0 110.177 177.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -60.08 -39.72 87.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.107 177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.4 m0 -70.8 -39.55 73.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 20.0 110.365 177.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.9 tp -60.3 -46.02 91.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.068 0.461 . . . . 20.0 110.656 179.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -60.34 -35.74 76.37 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.532 -0.758 . . . . 20.0 111.109 -178.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.91 -38.19 19.67 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.305 -0.407 . . . . 20.0 111.53 -177.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.562 ' HD3' ' C ' ' A' ' 28' ' ' LYS . 10.2 tmtt? -70.1 -51.17 33.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.31 -0.404 . . . . 20.0 110.38 -177.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.5 t -75.69 -30.46 21.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.559 -0.291 . . . . 20.0 110.355 -178.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 59.65 -84.31 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.304 -0.862 . . . . 20.0 111.232 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.5 p -120.77 -57.37 1.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.66 0.267 . . . . 20.0 110.769 177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.7 m -142.77 26.13 1.75 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.985 0.365 . . . . 20.0 111.985 -177.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 29.0 tp -88.41 57.91 4.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.559 0.695 . . . . 20.0 110.096 178.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.71 69.39 6.6 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.525 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -60.79 143.02 91.66 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.223 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -68.76 75.73 0.83 Allowed 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.743 2.295 . . . . 20.0 112.251 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 64.5 mtp180 -64.01 133.15 95.5 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 20.0 111.25 -178.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' ARG . 18.6 Cg_exo -66.51 136.01 41.34 Favored 'Trans proline' 0 N--CA 1.462 -0.339 0 C-N-CA 122.41 2.073 . . . . 20.0 111.289 174.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 61.45 78.98 0.27 Allowed 'General case' 0 C--O 1.234 0.254 0 CA-C-O 121.383 0.611 . . . . 20.0 111.786 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.3 pt -127.45 141.91 42.38 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.586 -0.734 . . . . 20.0 110.531 176.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -66.55 118.31 5.43 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.645 2.23 . . . . 20.0 112.031 -179.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -88.27 -29.67 20.22 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.755 -176.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -68.37 -34.27 75.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.966 0.412 . . . . 20.0 110.839 -176.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -66.82 -41.38 87.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.982 -0.553 . . . . 20.0 109.885 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 87.0 t -70.7 -47.35 64.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.562 -0.745 . . . . 20.0 110.482 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -56.94 -41.0 77.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.074 -0.512 . . . . 20.0 111.502 -178.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.5 ttp-105 -60.64 -37.35 81.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.132 -0.486 . . . . 20.0 110.765 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 62.4 mtt180 -85.68 -36.1 20.47 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.531 -179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 45.5 tpp -63.22 -38.75 92.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.45 -0.795 . . . . 20.0 110.555 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.6 -39.67 81.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 20.0 110.943 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -64.61 -45.23 87.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.532 178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -68.21 -39.08 82.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.737 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -65.57 -33.98 77.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.636 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.82 -30.04 70.56 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.09 0.472 . . . . 20.0 110.626 177.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp -80.79 -44.97 17.7 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.214 176.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 61.7 mtt -61.12 -36.32 79.41 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.674 -0.694 . . . . 20.0 110.99 -178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 55.7 ttp180 -66.77 -26.11 66.81 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.772 -0.649 . . . . 20.0 111.354 -177.026 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 63.5 mttp -85.39 -14.26 46.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.248 0.547 . . . . 20.0 110.183 178.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -95.13 174.39 7.09 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.488 -0.778 . . . . 20.0 110.274 -178.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -88.36 80.17 7.55 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.892 -0.781 . . . . 20.0 108.892 172.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 19.3 m -144.93 60.14 1.31 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.2 -0.455 . . . . 20.0 111.082 -174.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 7.7 ttpm? 60.5 87.74 0.09 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.882 -0.599 . . . . 20.0 111.215 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.316 -0.85 . . . . 20.0 109.744 -178.578 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.481 1.103 0 CA-C-O 120.411 0.148 . . . . 20.0 110.717 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 60.35 47.97 8.4 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.684 0.615 . . . . 20.0 112.176 173.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -104.88 112.57 25.74 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.855 -0.424 . . . . 20.0 109.855 174.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.446 ' N ' ' HD2' ' A' ' -4' ' ' LYS . 0.3 OUTLIER -74.34 -50.45 18.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.659 -0.7 . . . . 20.0 109.47 -178.803 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -149.11 129.8 14.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.279 -0.873 . . . . 20.0 109.068 175.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -129.2 -67.72 0.76 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.368 -0.378 . . . . 20.0 110.334 -177.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 47.23 92.19 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.991 0.807 . . . . 20.0 112.667 174.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 30.8 m-20 -66.52 -19.37 65.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.926 0.393 . . . . 20.0 110.872 179.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -83.8 -10.33 58.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.59 176.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' O ' ' HB2' ' A' ' 3' ' ' ARG . 82.0 m-20 65.36 -177.67 0.18 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.735 -0.666 . . . . 20.0 111.534 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 3' ' ' ARG . 26.1 mmt180 72.1 128.74 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.7 0.762 . . . . 20.0 112.824 177.566 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.41 147.19 40.16 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.265 -0.879 . . . . 20.0 109.317 173.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 pp -82.43 26.86 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.092 0.473 . . . . 20.0 111.589 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.5 m 55.38 71.9 1.17 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 115.15 -0.932 . . . . 20.0 111.963 -179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -77.28 -34.12 2.24 Favored 'Trans proline' 0 N--CA 1.462 -0.348 0 C-N-CA 122.222 1.948 . . . . 20.0 111.899 178.38 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.1 ttt -164.97 66.28 0.13 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.288 -0.634 . . . . 20.0 109.288 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.0 m -105.48 137.92 32.96 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.779 -0.646 . . . . 20.0 110.487 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.7 m -156.89 69.96 0.62 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.195 0.522 . . . . 20.0 110.127 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -78.71 63.92 3.59 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.513 0.673 . . . . 20.0 110.59 -178.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -107.24 133.6 51.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.353 -0.84 . . . . 20.0 109.585 178.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -86.16 46.2 1.31 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.358 0.599 . . . . 20.0 110.336 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -67.7 152.68 45.2 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.217 -0.901 . . . . 20.0 110.97 -179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.556 ' O ' ' HB3' ' A' ' 20' ' ' SER . 27.6 pt -90.99 50.64 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.962 -0.563 . . . . 20.0 111.592 -177.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -91.27 -68.03 0.82 Allowed 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.012 0.375 . . . . 20.0 112.012 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 -90.23 -70.03 0.69 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.086 0.47 . . . . 20.0 111.978 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 18' ' ' GLU . 0.0 OUTLIER -90.3 -48.44 7.14 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.115 -172.151 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.505 ' HB2' ' HA ' ' A' ' 15' ' ' ILE . 86.8 m-20 -64.86 -14.47 59.63 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.311 0.485 . . . . 20.0 112.311 -174.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.556 ' HB3' ' O ' ' A' ' 15' ' ' ILE . 7.2 p -73.3 -48.14 36.99 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.966 0.412 . . . . 20.0 110.848 176.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -91.28 -44.6 9.1 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.259 -0.428 . . . . 20.0 111.339 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.483 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 12.3 m120 -60.01 -43.74 95.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.407 -0.361 . . . . 20.0 111.459 -176.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.5 -34.67 78.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.17 0.51 . . . . 20.0 110.605 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 67.4 t-105 -72.28 -29.28 63.73 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.179 179.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -79.67 -49.22 12.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.805 -0.634 . . . . 20.0 110.222 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 81.2 mtp180 -61.59 -38.24 86.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.102 -0.499 . . . . 20.0 111.14 -176.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.29 -20.5 63.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 20.0 111.39 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -82.62 -43.71 16.67 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.082 -0.508 . . . . 20.0 109.852 178.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 82.3 t -62.71 -47.81 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.906 -0.588 . . . . 20.0 110.28 177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.46 110.74 6.04 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.342 179.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.9 t -66.59 -19.74 65.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.071 0.462 . . . . 20.0 110.674 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t -94.99 89.86 5.75 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.263 -0.643 . . . . 20.0 109.263 175.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.19 -38.65 91.16 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.723 -0.473 . . . . 20.0 109.723 -178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.53 57.96 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.399 0.619 . . . . 20.0 110.031 177.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.15 152.98 96.09 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.492 -0.777 . . . . 20.0 110.13 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -61.61 91.54 0.11 Allowed 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 122.954 2.436 . . . . 20.0 111.739 178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -164.01 141.31 5.55 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.485 -0.779 . . . . 20.0 109.335 -174.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_endo -55.15 152.1 32.23 Favored 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.551 2.168 . . . . 20.0 110.723 173.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.69 78.97 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.315 0.578 . . . . 20.0 111.586 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.3 mt -134.69 128.45 18.95 Favored Pre-proline 0 C--N 1.32 -0.712 0 CA-C-N 115.279 -0.873 . . . . 20.0 108.915 178.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -47.66 127.29 13.77 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.885 2.39 . . . . 20.0 111.951 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -61.26 -30.09 70.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.07 -0.513 . . . . 20.0 111.195 -175.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.97 -33.67 76.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.083 0.468 . . . . 20.0 110.132 178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.05 -38.02 64.11 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.575 -0.739 . . . . 20.0 109.678 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.5 t -64.05 -51.08 73.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.852 -0.613 . . . . 20.0 110.666 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -57.81 -29.39 64.86 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.117 0.484 . . . . 20.0 110.657 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 47' ' ' ARG . 45.1 ttm180 -71.92 -60.44 2.23 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.746 -0.661 . . . . 20.0 110.772 177.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 20.5 tpt180 -65.15 -38.13 89.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.79 0.329 . . . . 20.0 111.299 -175.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 52.4 tpp -64.04 -29.47 70.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.315 -0.402 . . . . 20.0 110.927 -178.161 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.08 -51.0 71.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.985 -0.552 . . . . 20.0 111.134 -179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -73.06 -27.81 61.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 20.0 110.496 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -64.13 -44.43 92.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.836 0.35 . . . . 20.0 110.57 177.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -65.06 -36.4 84.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.055 -0.521 . . . . 20.0 110.61 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.6 -45.33 53.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.935 -0.575 . . . . 20.0 110.872 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -66.63 -23.61 66.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.673 179.623 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 46.1 ttm -65.93 -31.3 72.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.912 -0.585 . . . . 20.0 110.281 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -79.85 -29.04 40.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.018 175.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.7 tttm 70.12 -69.6 0.17 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.215 -0.902 . . . . 20.0 111.117 177.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -164.25 18.14 0.06 Allowed 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.823 -0.436 . . . . 20.0 109.823 177.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 61.6 -91.37 0.03 OUTLIER 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.22 -0.9 . . . . 20.0 110.032 -174.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.7 t 44.79 73.35 0.16 Allowed 'General case' 0 N--CA 1.465 0.289 0 O-C-N 123.871 0.732 . . . . 20.0 112.26 172.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -85.22 57.11 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.709 0.766 . . . . 20.0 110.136 176.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.032 0 CA-C-N 115.26 -0.882 . . . . 20.0 109.025 -178.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.481 1.099 0 N-CA-C 110.347 -0.242 . . . . 20.0 110.347 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -124.54 124.03 41.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.567 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -128.21 106.85 9.32 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.239 -0.437 . . . . 20.0 110.0 179.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 40.2 mmtm -93.73 60.24 2.94 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.395 0.617 . . . . 20.0 110.835 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -95.36 -6.57 40.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.243 -0.889 . . . . 20.0 110.284 179.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -125.52 -38.3 2.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.539 -0.755 . . . . 20.0 110.604 -177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . 0.401 ' HB3' ' HB3' ' A' ' 2' ' ' ASN . 3.6 m-20 57.26 77.03 0.29 Allowed 'General case' 0 C--O 1.237 0.398 0 CA-C-O 121.497 0.665 . . . . 20.0 110.546 -177.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -75.3 -18.6 60.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.305 -0.861 . . . . 20.0 111.307 -175.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -89.99 -18.39 26.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.261 0.553 . . . . 20.0 110.396 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.401 ' HB3' ' HB3' ' A' ' -1' ' ' ASP . 4.1 t-20 -79.42 92.66 5.25 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.686 -0.688 . . . . 20.0 111.18 -175.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 42.0 mmt180 60.58 50.47 5.72 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.6 -0.727 . . . . 20.0 112.142 174.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.18 28.28 7.84 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.384 0.612 . . . . 20.0 110.217 176.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 68.8 tp -141.92 129.86 21.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.338 -0.846 . . . . 20.0 109.728 179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -68.0 133.32 91.92 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 20.0 110.798 179.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -72.17 -5.54 17.32 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.859 2.373 . . . . 20.0 111.908 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 80.1 mtp -136.22 166.08 24.24 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.366 -0.834 . . . . 20.0 109.48 176.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.6 m -67.21 127.52 28.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.137 175.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.3 m -81.05 65.54 6.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.125 -0.489 . . . . 20.0 111.151 -176.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -87.22 154.54 20.63 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.771 -0.649 . . . . 20.0 109.917 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.8 t80 -83.69 -21.18 32.45 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.539 -0.541 . . . . 20.0 109.539 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -127.65 124.89 39.08 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.664 -0.698 . . . . 20.0 109.635 175.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 t -97.22 126.63 42.54 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.13 0.49 . . . . 20.0 110.17 178.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 15' ' ' ILE . 3.5 mp -69.55 132.13 33.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.597 -0.729 . . . . 20.0 109.77 -179.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -45.93 -39.71 9.18 Favored 'General case' 0 N--CA 1.469 0.478 0 N-CA-C 113.492 0.923 . . . . 20.0 113.492 -170.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.423 ' HG2' HG22 ' A' ' 15' ' ' ILE . 11.4 pt20 -63.94 -24.33 67.69 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.767 0.318 . . . . 20.0 111.729 -178.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -90.59 -14.05 33.23 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.891 0.377 . . . . 20.0 110.489 -179.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -62.36 -30.66 71.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.222 -0.445 . . . . 20.0 110.919 -179.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.6 p -67.99 -34.14 75.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.147 0.499 . . . . 20.0 110.43 177.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 35.2 m-85 -73.79 -33.44 64.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 20.0 109.977 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.422 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 21.0 m-80 -57.52 -45.44 84.99 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-N 115.83 -0.623 . . . . 20.0 110.708 176.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -59.71 -43.06 94.27 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.482 -0.327 . . . . 20.0 111.324 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.8 t-105 -62.2 -42.07 98.95 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.221 -0.445 . . . . 20.0 110.275 177.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.19 -43.39 78.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.014 -0.539 . . . . 20.0 110.131 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.422 ' HG3' ' O ' ' A' ' 22' ' ' ASN . 98.6 mtt180 -62.95 -36.3 82.99 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.158 -0.473 . . . . 20.0 110.94 179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.23 -24.97 65.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.152 0.501 . . . . 20.0 110.908 178.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -90.51 -6.23 55.05 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.568 -177.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG13 ' OG ' ' A' ' 32' ' ' SER . 42.0 t -59.41 -55.52 23.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.646 -0.252 . . . . 20.0 111.596 -177.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 66.88 -69.46 0.13 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.318 0.647 . . . . 20.0 111.889 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.9 t -156.45 83.71 0.98 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.813 0.815 . . . . 20.0 110.725 -178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.429 ' OG ' HG13 ' A' ' 29' ' ' VAL . 57.7 p -156.34 111.33 2.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.799 -0.637 . . . . 20.0 109.579 177.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.0 mt -79.31 61.89 3.52 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.113 0.482 . . . . 20.0 111.732 -174.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.74 118.32 23.82 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.349 -0.612 . . . . 20.0 109.349 174.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -100.72 112.02 63.96 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.982 0.42 . . . . 20.0 111.204 -173.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.428 ' O ' ' HB2' ' A' ' 37' ' ' ARG . 94.6 Cg_endo -82.65 34.85 0.56 Allowed 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 123.035 2.49 . . . . 20.0 112.473 -178.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.439 ' HD2' ' N ' ' A' ' 37' ' ' ARG . 6.3 mpt_? 72.52 147.72 0.12 Allowed Pre-proline 0 N--CA 1.468 0.449 0 CA-C-N 115.45 -0.796 . . . . 20.0 111.245 178.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.12 68.18 6.69 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.839 2.359 . . . . 20.0 112.749 -177.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -75.3 141.87 43.34 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.712 -0.676 . . . . 20.0 109.98 178.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.5 mt 67.09 107.74 0.03 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 O-C-N 123.699 0.624 . . . . 20.0 110.879 -177.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -63.32 133.93 42.77 Favored 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.226 1.951 . . . . 20.0 111.205 179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.557 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 18.1 p80 -76.69 0.63 19.67 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.517 -0.473 . . . . 20.0 110.845 -176.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -57.31 -36.13 70.71 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.702 174.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -58.46 -43.33 88.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.784 -0.644 . . . . 20.0 109.906 176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.62 -40.45 84.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.347 -0.842 . . . . 20.0 110.675 179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 46.5 mm-40 -55.17 -42.5 73.26 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.907 -0.588 . . . . 20.0 110.848 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 64.6 mtm180 -69.76 -40.14 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.569 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -62.01 -39.24 91.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.564 . . . . 20.0 110.443 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.2 tpp -78.65 -31.48 46.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.583 -0.735 . . . . 20.0 110.515 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.57 -45.76 92.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.766 -0.652 . . . . 20.0 112.004 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -64.37 -23.04 67.15 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.885 0.374 . . . . 20.0 111.16 -177.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 70.5 mtp180 -71.26 -51.93 21.77 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.15 -0.477 . . . . 20.0 109.721 177.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.488 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 54.7 m-85 -68.83 -27.46 65.86 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.929 -0.578 . . . . 20.0 111.03 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.13 -39.42 82.29 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.261 -0.427 . . . . 20.0 110.731 177.232 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -74.18 -28.83 61.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.401 178.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 80.7 mtp -78.11 -7.61 57.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 20.0 110.945 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.488 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 98.5 mtt180 -95.32 -22.96 17.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.022 0.439 . . . . 20.0 110.26 176.755 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -81.42 -49.22 10.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.964 -0.754 . . . . 20.0 108.964 173.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -117.55 97.63 5.97 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.168 -0.924 . . . . 20.0 108.865 178.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -80.71 149.84 29.56 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.359 -0.382 . . . . 20.0 110.86 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.7 p 52.22 81.89 0.07 Allowed 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 123.735 0.814 . . . . 20.0 111.95 179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -87.98 -3.54 58.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.987 -0.551 . . . . 20.0 110.415 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 . . . . . 0 C--O 1.249 1.069 0 CA-C-N 115.582 -0.735 . . . . 20.0 110.007 176.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 30.8 mmt . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 109.645 -0.502 . . . . 20.0 109.645 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -138.96 33.15 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.243 0.544 . . . . 20.0 110.128 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -86.39 -54.54 4.37 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.687 -0.688 . . . . 20.0 111.239 -174.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -118.87 8.58 11.76 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.291 0.567 . . . . 20.0 110.555 -178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -152.01 116.05 4.94 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.19 -0.914 . . . . 20.0 110.445 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -109.7 -46.79 3.45 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.846 0.831 . . . . 20.0 108.945 174.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -149.44 30.7 0.75 Allowed 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 107.648 -1.242 . . . . 20.0 107.648 175.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -90.34 -49.84 6.31 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.361 -1.291 . . . . 20.0 110.223 -173.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 45.5 tptt -86.07 -17.13 35.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.456 -0.793 . . . . 20.0 109.243 178.494 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -89.39 158.58 17.71 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.176 -0.92 . . . . 20.0 110.336 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 79.8 mtt180 -101.55 131.69 47.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.529 0.204 . . . . 20.0 110.467 178.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.3 99.34 2.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.223 -0.444 . . . . 20.0 111.136 -179.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.2 mt -63.08 134.29 55.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.584 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 p -159.35 139.24 8.61 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.175 -0.466 . . . . 20.0 109.877 -178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -56.79 114.94 2.15 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.948 2.432 . . . . 20.0 112.482 -176.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.5 mtm -86.62 52.76 2.59 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.02 -0.536 . . . . 20.0 110.843 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.3 m -92.53 131.65 39.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.409 179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.3 m -128.51 40.57 3.63 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.026 0.441 . . . . 20.0 110.871 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -163.35 145.89 10.05 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.914 -0.584 . . . . 20.0 110.277 -178.081 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -106.6 90.17 3.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.405 0.621 . . . . 20.0 110.396 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -111.33 24.33 12.96 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.489 -0.778 . . . . 20.0 110.204 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.459 HG22 ' HB2' ' A' ' 17' ' ' GLN . 17.6 m -81.28 67.39 7.2 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.697 0.76 . . . . 20.0 110.093 -178.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.3 mt -84.72 -47.67 17.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.171 -0.922 . . . . 20.0 111.117 -175.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -65.24 -41.94 93.86 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.797 -0.638 . . . . 20.0 111.655 -173.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.459 ' HB2' HG22 ' A' ' 14' ' ' THR . 2.4 mp0 -61.96 -25.86 67.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.705 0.288 . . . . 20.0 111.497 -177.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -80.23 -33.05 38.32 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.928 0.394 . . . . 20.0 110.704 -177.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 m-80 -92.03 -22.29 20.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.197 0.443 . . . . 20.0 112.197 -178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 17.9 p -77.84 -8.88 58.65 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.238 0.459 . . . . 20.0 112.238 -174.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.4 p90 -46.97 -38.92 11.45 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 112.329 0.492 . . . . 20.0 112.329 -176.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -87.06 -23.91 24.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.954 0.407 . . . . 20.0 111.108 -178.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -77.05 -46.03 25.1 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.944 -0.571 . . . . 20.0 110.607 -179.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.456 ' CH2' ' HB3' ' A' ' 41' ' ' PRO . 68.4 t-105 -69.15 -23.27 63.93 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.2 0.524 . . . . 20.0 109.624 177.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.7 tp -65.37 -38.06 88.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.794 -0.639 . . . . 20.0 109.465 174.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 44.8 mtm105 -73.93 -32.29 63.45 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.115 176.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.57 84.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.348 176.161 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -65.4 -40.99 94.09 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.417 -0.81 . . . . 20.0 109.932 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.9 t -66.48 -54.51 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.771 -0.649 . . . . 20.0 111.264 179.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -124.27 -91.56 0.54 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.1 -177.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 p -146.66 -59.96 0.3 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.886 -0.143 . . . . 20.0 111.307 -179.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.5 m 67.49 -61.27 0.36 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 123.602 0.761 . . . . 20.0 111.833 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 tt -69.78 99.2 1.32 Allowed 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.432 -0.581 . . . . 20.0 109.432 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -128.24 29.87 5.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.28 0.562 . . . . 20.0 110.149 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.6 131.54 94.82 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.455 -0.793 . . . . 20.0 110.52 178.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -74.2 -6.32 18.26 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.547 2.164 . . . . 20.0 111.818 177.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -100.58 145.25 30.0 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 115.715 -0.675 . . . . 20.0 109.259 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.48 112.28 1.0 Allowed 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.788 2.325 . . . . 20.0 112.003 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.11 129.82 44.03 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.077 -0.511 . . . . 20.0 111.163 -176.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.8 pt -96.65 146.81 31.95 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.609 178.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.456 ' HB3' ' CH2' ' A' ' 24' ' ' TRP . 35.5 Cg_exo -60.39 118.46 5.34 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 122.533 2.156 . . . . 20.0 111.548 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -79.78 -4.79 53.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.972 0.415 . . . . 20.0 110.494 -179.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -57.76 -35.65 71.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.33 173.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.439 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 35.9 tt0 -65.83 -40.62 91.95 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.531 -0.758 . . . . 20.0 110.383 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 90.8 t -63.85 -42.83 97.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.189 178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -62.06 -37.85 86.55 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.834 -0.621 . . . . 20.0 109.337 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.42 ' NH1' ' HA ' ' A' ' 47' ' ' ARG . 1.8 tpp180 -66.43 -32.18 73.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 20.0 110.897 -179.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.439 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 30.0 mmm180 -77.94 -41.81 35.08 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.155 0.502 . . . . 20.0 110.025 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.7 mmt -76.06 -19.47 58.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.737 -0.665 . . . . 20.0 111.576 -178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.57 -38.68 72.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.149 0.5 . . . . 20.0 111.131 178.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -70.41 -29.14 65.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.761 -0.654 . . . . 20.0 110.341 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.3 ttp180 -79.3 -29.62 42.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.927 -0.579 . . . . 20.0 110.336 177.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.472 ' HA ' ' HB3' ' A' ' 56' ' ' MET . 76.9 t80 -58.02 -31.17 66.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.674 -0.694 . . . . 20.0 111.173 -176.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.81 -40.01 86.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.024 -0.535 . . . . 20.0 110.986 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -88.82 -24.72 22.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.102 0.477 . . . . 20.0 110.394 178.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.472 ' HB3' ' HA ' ' A' ' 53' ' ' PHE . 53.7 tpp -67.74 -24.77 65.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.989 -0.55 . . . . 20.0 110.608 179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 58.8 ttp180 -59.13 -34.21 71.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.032 -0.531 . . . . 20.0 110.532 177.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -169.44 103.33 0.35 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.031 0.443 . . . . 20.0 110.829 179.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.05 3.49 17.41 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.037 -0.529 . . . . 20.0 110.608 178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.4 ttp180 -57.09 -74.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.007 -0.542 . . . . 20.0 111.033 -178.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.5 m -129.86 36.13 4.08 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.115 -0.698 . . . . 20.0 109.115 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.46 ' HG2' ' H ' ' A' ' 63' ' ' GLN . 47.6 tttm 67.07 180.0 0.22 Allowed 'General case' 0 CA--C 1.534 0.347 0 CA-C-N 114.918 -1.037 . . . . 20.0 109.69 -176.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.46 ' H ' ' HG2' ' A' ' 62' ' ' LYS . 78.4 mt-30 . . . . . 0 C--O 1.25 1.086 0 CA-C-O 117.896 -1.05 . . . . 20.0 110.885 -179.058 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 4.2 mpp? . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.723 0.297 . . . . 20.0 110.564 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -137.09 83.69 2.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.334 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -156.72 87.66 1.02 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.662 178.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -165.55 -25.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.239 -0.437 . . . . 20.0 110.856 175.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -126.34 33.7 4.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.568 0.699 . . . . 20.0 110.482 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.94 -43.4 83.27 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.6 -0.727 . . . . 20.0 110.034 176.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 59.05 83.94 0.12 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.778 176.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -64.54 -25.14 67.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.13 -0.486 . . . . 20.0 110.218 177.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.436 ' HA ' HD23 ' A' ' 5' ' ' LEU . 39.8 ttpt -68.81 -24.43 64.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.328 178.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -92.48 -24.73 18.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.244 -0.434 . . . . 20.0 109.982 -178.506 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.2 ptp180 -144.41 128.16 17.25 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.864 0.32 . . . . 20.0 111.864 -177.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 72.41 -68.56 0.22 Allowed 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.823 0.849 . . . . 20.0 112.244 177.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 1' ' ' LYS . 2.3 tm? 58.39 80.09 0.19 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.284 0.564 . . . . 20.0 109.564 -175.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -88.36 109.73 30.94 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.776 -0.647 . . . . 20.0 110.394 179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.41 ' HD3' ' O ' ' A' ' 5' ' ' LEU . 72.5 Cg_endo -79.37 158.27 25.93 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.552 2.168 . . . . 20.0 111.277 178.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 85.2 mtp -76.39 75.94 3.15 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.313 0.577 . . . . 20.0 110.324 179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.3 m -103.78 139.09 25.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.482 -0.781 . . . . 20.0 110.552 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.8 m -112.0 18.37 18.83 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.232 0.539 . . . . 20.0 110.211 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -95.67 136.11 36.49 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.64 -0.709 . . . . 20.0 109.835 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 26.5 p90 -121.71 126.22 48.42 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.994 -0.548 . . . . 20.0 111.226 -174.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 58.55 20.9 8.04 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 115.824 -0.625 . . . . 20.0 111.9 175.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.1 p -79.59 127.62 32.38 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.581 0.705 . . . . 20.0 112.869 -171.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 54.0 mt -90.69 158.08 2.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.043 -0.98 . . . . 20.0 108.475 174.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -45.14 -49.8 11.7 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 112.187 0.44 . . . . 20.0 112.187 -175.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -67.09 -35.62 80.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.779 0.323 . . . . 20.0 111.326 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -71.94 -15.48 62.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.076 0.465 . . . . 20.0 110.447 -176.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -65.99 -15.05 62.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.311 -0.404 . . . . 20.0 111.532 176.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -87.18 -20.66 26.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.368 0.604 . . . . 20.0 109.766 176.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -96.27 -13.79 23.13 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.421 -0.809 . . . . 20.0 110.366 -178.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -45.6 -24.1 0.31 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 114.846 -1.07 . . . . 20.0 113.599 -174.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -55.66 -37.48 68.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.817 0.341 . . . . 20.0 110.703 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 46.6 t90 -72.04 -37.08 69.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.088 0.47 . . . . 20.0 110.365 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.9 mt -73.34 -28.98 62.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.531 -179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -65.54 -31.91 73.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.18 177.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.72 -31.8 72.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.285 0.565 . . . . 20.0 110.038 175.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -73.22 -27.1 61.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.402 -0.817 . . . . 20.0 110.11 177.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 98.2 t -77.69 -36.78 23.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.048 175.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.54 -28.41 69.92 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.896 -0.593 . . . . 20.0 110.944 178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.9 p -100.84 17.81 21.13 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.418 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.5 t -141.43 118.36 11.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.369 -0.378 . . . . 20.0 110.007 178.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 49.0 tp -81.98 -30.16 31.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.898 0.38 . . . . 20.0 110.59 -177.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -133.21 108.97 9.11 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.34 -0.391 . . . . 20.0 111.238 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -107.87 124.47 34.73 Favored Pre-proline 0 C--N 1.322 -0.596 0 N-CA-C 108.872 -0.788 . . . . 20.0 108.872 172.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -74.06 -11.32 23.3 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.765 2.31 . . . . 20.0 114.042 -172.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -139.27 60.63 17.64 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 111.653 0.242 . . . . 20.0 111.653 -175.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -88.8 52.33 1.75 Allowed 'Trans proline' 0 N--CA 1.457 -0.65 0 C-N-CA 122.715 2.276 . . . . 20.0 111.537 -179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -147.12 167.99 22.74 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.512 -0.767 . . . . 20.0 111.061 -175.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.7 mt -122.85 128.93 25.19 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.464 -0.789 . . . . 20.0 109.345 177.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -46.12 118.43 2.4 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.891 2.394 . . . . 20.0 112.483 177.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.0 t60 -88.89 -36.42 15.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.503 -0.317 . . . . 20.0 110.239 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -59.56 -50.51 73.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.253 -0.431 . . . . 20.0 111.146 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -58.66 -47.73 83.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.378 -0.373 . . . . 20.0 111.179 -177.654 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.67 -48.83 81.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.237 -0.438 . . . . 20.0 110.712 -178.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -65.18 -45.3 85.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.12 -0.491 . . . . 20.0 111.343 -176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -64.74 -33.59 76.34 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.817 0.341 . . . . 20.0 110.812 -176.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -77.18 -35.84 55.54 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.11 -0.495 . . . . 20.0 110.522 -176.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.4 mmt -76.15 -34.22 59.4 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.045 -0.525 . . . . 20.0 110.558 178.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.7 -40.44 72.38 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.052 -0.522 . . . . 20.0 111.26 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.54 -40.43 97.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.801 -0.636 . . . . 20.0 110.114 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 38.1 ttm180 -70.71 -44.42 66.95 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.427 -0.806 . . . . 20.0 110.518 -178.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.605 ' O ' ' HB2' ' A' ' 57' ' ' ARG . 23.9 m-85 -63.6 -30.31 71.44 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.864 178.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.97 -31.43 70.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.987 0.422 . . . . 20.0 111.043 177.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -77.87 -44.26 27.72 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.038 -0.528 . . . . 20.0 110.958 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.416 ' HG2' ' HA ' ' A' ' 53' ' ' PHE . 26.2 ptm -84.83 -1.67 56.77 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.856 0.36 . . . . 20.0 111.51 -176.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.605 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 43.3 ttp180 -70.45 -45.24 66.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.116 -0.493 . . . . 20.0 110.921 -177.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -165.48 139.76 4.76 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.994 -0.548 . . . . 20.0 109.861 178.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -77.82 95.95 4.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.858 0.361 . . . . 20.0 110.437 175.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -89.99 157.18 17.94 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.94 -0.573 . . . . 20.0 109.784 176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.1 m 62.4 27.26 16.24 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 121.384 0.612 . . . . 20.0 110.237 -176.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -129.08 56.99 1.65 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.414 -0.812 . . . . 20.0 109.04 179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 . . . . . 0 C--O 1.247 0.938 0 CA-C-N 115.573 -0.74 . . . . 20.0 109.973 -174.445 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 23.4 ptp . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 121.12 0.486 . . . . 20.0 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -153.41 168.62 25.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.432 -0.349 . . . . 20.0 110.529 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -150.07 90.54 1.69 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 20.0 109.557 177.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 23.3 ttmm 70.65 -55.29 0.63 Allowed 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.662 0.785 . . . . 20.0 111.387 -178.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -99.46 115.0 28.29 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.11 -0.496 . . . . 20.0 109.98 -178.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -70.34 -47.58 60.38 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.354 -0.61 . . . . 20.0 109.354 175.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 53.5 91.26 0.03 OUTLIER 'General case' 0 C--O 1.236 0.349 0 CA-C-N 114.775 -1.102 . . . . 20.0 112.641 173.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -79.96 -10.47 59.78 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.746 -0.661 . . . . 20.0 109.871 176.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -84.41 0.1 50.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.447 -0.797 . . . . 20.0 110.377 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.7 p30 39.65 62.06 1.28 Allowed 'General case' 0 N--CA 1.47 0.555 0 O-C-N 124.134 0.896 . . . . 20.0 112.271 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.7 mmm180 -97.87 47.49 1.01 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.645 -0.707 . . . . 20.0 110.698 -177.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.73 69.51 0.98 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.586 -0.733 . . . . 20.0 109.917 177.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.9 mp -76.81 91.99 3.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.869 -0.605 . . . . 20.0 110.786 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.8 m 60.14 77.74 0.36 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 115.361 -0.836 . . . . 20.0 111.772 179.386 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_exo -56.78 -46.81 26.9 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.594 2.196 . . . . 20.0 111.826 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -141.62 113.84 8.11 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.346 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 51.3 t -90.57 90.18 3.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 121.32 0.581 . . . . 20.0 110.359 179.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.8 p -107.21 119.11 38.49 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.546 -0.752 . . . . 20.0 110.29 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -108.07 133.72 51.97 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.539 -0.3 . . . . 20.0 110.455 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -111.15 75.54 0.93 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.414 0.626 . . . . 20.0 110.433 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -112.59 -103.5 0.4 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.687 -0.688 . . . . 20.0 110.506 177.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 63.5 p -102.43 -2.12 29.4 Favored 'General case' 0 C--N 1.324 -0.538 0 C-N-CA 120.976 -0.29 . . . . 20.0 111.484 -177.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 65.0 mt -51.72 -55.36 9.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.763 0.316 . . . . 20.0 111.25 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -65.11 -41.45 94.89 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.198 -0.455 . . . . 20.0 110.611 178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.92 -49.04 79.33 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.095 -0.502 . . . . 20.0 111.368 -178.479 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.95 -31.49 72.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.915 -0.584 . . . . 20.0 111.413 -175.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.518 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 95.9 m-20 -90.7 -15.33 30.5 Favored 'General case' 0 C--N 1.32 -0.695 0 C-N-CA 120.841 -0.344 . . . . 20.0 111.687 -178.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -51.1 -53.45 34.04 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.232 0.456 . . . . 20.0 112.232 -176.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -71.35 -25.02 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.929 0.395 . . . . 20.0 110.539 -176.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -75.01 -42.8 56.68 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.09 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.518 ' HG2' ' O ' ' A' ' 19' ' ' ASN . 13.2 mm-40 -67.92 -39.46 83.54 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.63 -0.507 . . . . 20.0 109.63 178.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 49.2 t-105 -63.98 -38.77 92.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.868 -0.606 . . . . 20.0 110.208 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.6 tp -68.0 -26.03 65.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.889 -0.596 . . . . 20.0 111.045 179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 13.7 tpp180 -90.41 -48.27 7.22 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.064 0.459 . . . . 20.0 110.644 -178.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.18 -5.08 42.5 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.871 -0.604 . . . . 20.0 112.308 -173.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -17.16 59.6 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.643 0.259 . . . . 20.0 111.18 178.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.26 -49.91 50.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.992 0.425 . . . . 20.0 109.896 175.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -171.92 -78.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.656 -0.702 . . . . 20.0 110.398 179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.8 p -138.83 35.39 2.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.328 0.585 . . . . 20.0 110.177 179.202 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.1 m -80.01 94.85 6.0 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.546 -0.752 . . . . 20.0 112.214 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.3 mt -104.09 -1.43 27.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.461 0.648 . . . . 20.0 109.426 170.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -101.13 -176.74 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.967 -1.015 . . . . 20.0 110.089 176.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.529 ' OD2' ' HD3' ' A' ' 37' ' ' ARG . 29.1 t70 -106.44 114.17 62.39 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.612 -0.267 . . . . 20.0 110.838 178.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.38 120.92 7.7 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.697 2.264 . . . . 20.0 111.608 177.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.529 ' HD3' ' OD2' ' A' ' 35' ' ' ASP . 13.4 ptt180 -159.12 77.19 3.1 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-O 121.166 0.508 . . . . 20.0 110.621 -174.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -62.47 -25.32 75.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.898 2.399 . . . . 20.0 113.164 -177.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -88.5 -58.87 2.4 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.029 0.381 . . . . 20.0 112.029 -177.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 30.8 mt -120.15 106.43 40.9 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 120.754 0.311 . . . . 20.0 111.469 -175.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -80.26 119.35 3.81 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.554 2.169 . . . . 20.0 111.844 177.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.406 ' HB2' ' NH1' ' A' ' 37' ' ' ARG . 16.1 m-70 -87.36 -20.48 26.67 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.314 -0.241 . . . . 20.0 111.305 -178.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -64.83 -29.94 70.92 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.766 0.284 . . . . 20.0 111.766 -176.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -82.44 -29.93 30.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.832 0.349 . . . . 20.0 110.998 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 53.4 t -81.48 -50.22 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.031 0.443 . . . . 20.0 110.569 179.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -58.76 -40.02 82.69 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.763 -0.653 . . . . 20.0 111.202 -176.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -66.56 -30.2 70.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.394 . . . . 20.0 111.176 -177.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -90.64 -30.0 17.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.907 0.384 . . . . 20.0 111.184 -178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 43.8 tpp -90.48 -47.93 7.41 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.067 -0.515 . . . . 20.0 112.282 -172.417 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.03 -63.68 1.21 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 112.908 0.707 . . . . 20.0 112.908 -169.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -59.04 -31.73 69.11 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 120.812 0.339 . . . . 20.0 111.805 -175.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -68.86 -41.32 78.56 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.916 0.389 . . . . 20.0 110.698 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -77.17 -34.23 56.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.976 0.417 . . . . 20.0 110.345 178.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.23 -31.07 70.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.914 -0.584 . . . . 20.0 110.898 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.71 -31.66 70.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.491 . . . . 20.0 110.614 176.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.5 mtp -78.88 -14.94 58.95 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.905 -0.588 . . . . 20.0 110.51 -179.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 28.9 mmm180 -109.54 9.04 25.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.535 -178.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt 60.48 82.35 0.16 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 115.635 -0.711 . . . . 20.0 109.611 -173.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -42.15 109.03 0.11 Allowed 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 114.89 -1.05 . . . . 20.0 113.656 -169.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 60' ' ' ARG . 30.0 ttt180 -146.2 21.77 1.38 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.348 -0.842 . . . . 20.0 109.283 176.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.2 m -76.03 116.91 17.2 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.744 -0.662 . . . . 20.0 110.698 -176.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -129.1 26.03 5.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.376 0.608 . . . . 20.0 110.275 177.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.268 -0.873 . . . . 20.0 109.497 178.52 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 25.1 ttt . . . . . 0 N--CA 1.481 1.075 0 CA-C-O 120.763 0.316 . . . . 20.0 110.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -116.99 -63.95 1.38 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.894 0.378 . . . . 20.0 110.244 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -82.49 91.25 6.85 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.557 179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -84.72 98.69 10.38 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.394 -0.595 . . . . 20.0 109.394 175.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 69.39 -170.94 0.18 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.277 -0.874 . . . . 20.0 110.714 -178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -77.33 -56.45 4.54 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.288 0.566 . . . . 20.0 110.718 -178.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -89.35 162.44 15.8 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.887 -176.547 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -84.91 1.23 48.14 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.934 0.873 . . . . 20.0 109.196 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -70.1 -4.29 20.53 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 114.537 -1.211 . . . . 20.0 111.128 179.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -58.04 141.81 48.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.251 -0.431 . . . . 20.0 110.248 177.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.644 ' HA ' ' OG ' ' A' ' 6' ' ' SER . 14.5 ptm180 -138.27 57.83 1.69 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.55 0.69 . . . . 20.0 111.221 -173.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.1 -59.2 2.26 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.476 -0.784 . . . . 20.0 110.462 179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 8.0 mp -104.92 21.27 17.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.375 0.607 . . . . 20.0 109.75 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.644 ' OG ' ' HA ' ' A' ' 3' ' ' ARG . 31.0 m -77.22 139.59 64.85 Favored Pre-proline 0 C--N 1.32 -0.676 0 CA-C-N 115.27 -0.877 . . . . 20.0 111.568 -176.61 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.452 ' HG3' ' OD1' ' A' ' 43' ' ' ASP . 70.1 Cg_endo -75.06 78.54 2.89 Favored 'Trans proline' 0 N--CA 1.462 -0.354 0 C-N-CA 122.774 2.316 . . . . 20.0 111.352 173.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.7 mtm -79.45 46.43 0.74 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.681 -0.69 . . . . 20.0 110.97 -175.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.5 p -166.91 43.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 122.093 0.949 . . . . 20.0 109.617 -177.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.3 t -59.84 -33.08 71.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.313 -0.858 . . . . 20.0 110.013 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -157.17 146.43 20.18 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.546 -0.752 . . . . 20.0 108.988 172.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -86.95 2.38 49.59 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.18 0.514 . . . . 20.0 110.758 -178.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -97.6 149.02 22.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.52 -0.764 . . . . 20.0 109.667 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.5 t -164.39 149.72 10.25 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.598 -0.519 . . . . 20.0 109.598 -175.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.429 HD12 ' N ' ' A' ' 15' ' ' ILE . 2.5 mp -75.37 130.66 35.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 109.435 -0.58 . . . . 20.0 109.435 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -58.75 -32.21 69.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.319 -0.855 . . . . 20.0 111.681 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -63.92 -29.9 71.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 20.0 110.82 179.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.405 ' HG3' ' HB ' ' A' ' 15' ' ' ILE . 31.7 mt-10 -71.53 -38.05 71.09 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 121.386 0.612 . . . . 20.0 109.577 177.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.568 ' N ' HD22 ' A' ' 19' ' ' ASN . 0.8 OUTLIER -71.92 -33.46 68.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.32 -0.855 . . . . 20.0 110.605 -173.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.1 m -64.25 -33.22 75.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.919 0.39 . . . . 20.0 110.23 176.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -80.57 -36.02 33.48 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 20.0 109.98 177.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.558 HD22 ' C ' ' A' ' 22' ' ' ASN . 0.2 OUTLIER -58.14 -47.63 82.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.943 -0.571 . . . . 20.0 109.674 175.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -63.09 -36.99 85.44 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.784 -0.644 . . . . 20.0 110.479 -178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -72.67 -46.24 54.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.366 -0.379 . . . . 20.0 110.995 178.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.26 -45.6 92.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.831 0.348 . . . . 20.0 110.899 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -67.61 -29.74 69.15 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.71 -0.677 . . . . 20.0 110.939 -178.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.41 -32.33 32.78 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.085 0.469 . . . . 20.0 110.634 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.436 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 0.3 OUTLIER -73.44 -71.06 0.33 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.742 -0.663 . . . . 20.0 109.916 179.582 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.673 HG13 ' H ' ' A' ' 30' ' ' ALA . 3.4 p -104.71 -70.01 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.735 -0.211 . . . . 20.0 111.34 176.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.673 ' H ' HG13 ' A' ' 29' ' ' VAL . . . 172.11 -167.07 0.02 OUTLIER 'General case' 0 C--O 1.232 0.165 0 C-N-CA 123.602 0.761 . . . . 20.0 109.216 -173.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 54.8 m 75.8 131.78 0.05 OUTLIER 'General case' 0 CA--C 1.534 0.336 0 O-C-N 123.613 0.571 . . . . 20.0 111.886 176.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.0 p -83.02 51.79 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.914 0.388 . . . . 20.0 110.808 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 61.5 tp 65.13 -80.19 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.355 -0.839 . . . . 20.0 111.704 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -165.34 -179.21 5.42 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.818 0.342 . . . . 20.0 110.81 -173.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -102.97 95.34 6.38 Favored Pre-proline 0 C--N 1.324 -0.526 0 N-CA-C 108.714 -0.847 . . . . 20.0 108.714 176.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 69.0 Cg_endo -76.05 116.72 4.46 Favored 'Trans proline' 0 C--O 1.235 0.367 0 C-N-CA 122.66 2.24 . . . . 20.0 112.707 -174.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.551 ' NH2' ' HB3' ' A' ' 6' ' ' SER . 92.3 mtt180 -134.7 66.76 70.08 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.475 -0.33 . . . . 20.0 111.699 179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 37' ' ' ARG . 4.2 Cg_exo -76.81 -17.8 15.44 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.244 1.963 . . . . 20.0 110.416 171.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.61 166.52 21.03 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 114.607 -1.179 . . . . 20.0 110.619 177.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.415 ' N ' HD12 ' A' ' 40' ' ' ILE . 3.0 mp -70.91 124.04 90.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.088 -0.505 . . . . 20.0 109.645 176.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -67.63 119.87 6.89 Favored 'Trans proline' 0 N--CA 1.463 -0.297 0 C-N-CA 122.411 2.074 . . . . 20.0 111.926 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -67.34 -10.03 47.05 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.1 0.476 . . . . 20.0 110.847 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.542 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 4.2 m-20 -63.78 -29.6 70.79 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.938 -0.573 . . . . 20.0 110.198 178.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -69.26 -29.52 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.423 0.63 . . . . 20.0 109.682 177.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 73.2 t -70.99 -39.61 75.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.447 -0.797 . . . . 20.0 109.767 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.99 -42.59 72.66 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.614 -0.721 . . . . 20.0 109.918 173.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 27.4 mmt180 -62.88 -40.94 99.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.619 -0.718 . . . . 20.0 110.698 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -67.23 -39.67 86.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.959 -0.564 . . . . 20.0 111.073 -177.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.2 mtm -82.92 -21.47 34.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.394 -0.366 . . . . 20.0 111.412 -176.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.33 -38.32 71.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.427 . . . . 20.0 112.137 -176.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -68.93 -22.82 64.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.525 -178.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.0 mtm105 -87.54 -41.35 13.54 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.891 0.376 . . . . 20.0 110.205 176.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -67.9 -10.2 51.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 20.0 111.075 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.458 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -59.9 -26.17 65.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.981 176.135 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -79.42 -35.6 40.28 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.113 0.482 . . . . 20.0 110.278 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -82.94 -25.27 32.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.934 -0.575 . . . . 20.0 111.306 -175.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.458 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 22.9 ptt180 -66.32 -20.44 66.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.242 0.544 . . . . 20.0 110.375 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -76.53 -44.74 33.71 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.056 177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -96.81 53.02 1.21 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.395 0.617 . . . . 20.0 111.081 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.441 ' CD ' ' HA ' ' A' ' 57' ' ' ARG . 16.9 ptm180 -152.13 162.12 41.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.464 -0.789 . . . . 20.0 109.018 175.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.7 m -125.96 128.88 48.19 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.84 0.352 . . . . 20.0 110.927 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 16.9 ptpt -150.36 138.68 20.41 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.042 -0.526 . . . . 20.0 109.77 175.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.691 -0.671 . . . . 20.0 109.6 -179.272 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.481 1.112 0 CA-C-O 120.739 0.304 . . . . 20.0 110.219 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -90.21 164.97 14.21 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.354 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 58.7 m-85 -125.34 79.55 1.81 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.217 0.532 . . . . 20.0 110.586 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -74.62 -44.65 49.56 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.469 -0.787 . . . . 20.0 109.36 176.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -82.15 153.48 25.99 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.349 -0.841 . . . . 20.0 109.661 178.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.596 ' HB2' ' HB2' ' A' ' 2' ' ' ASN . 5.5 m-20 -74.88 -41.18 60.28 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.787 -0.642 . . . . 20.0 111.044 -173.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 17.2 t70 54.44 -87.32 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.204 0.94 . . . . 20.0 112.331 176.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -75.4 -22.53 57.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.072 0.463 . . . . 20.0 110.519 -178.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 56.4 mtpt -92.14 1.13 57.4 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.005 -0.543 . . . . 20.0 109.907 176.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.596 ' HB2' ' HB2' ' A' ' -2' ' ' ASP . 9.8 t30 -102.21 -50.14 3.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.683 -0.69 . . . . 20.0 111.179 -177.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 81.8 mtp180 -74.97 -67.93 0.6 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.827 -0.624 . . . . 20.0 111.614 -171.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -144.89 160.54 41.15 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 110.067 -0.345 . . . . 20.0 110.067 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.436 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 97.1 mt 56.8 55.99 5.8 Favored 'General case' 0 C--N 1.332 -0.179 0 O-C-N 123.448 0.468 . . . . 20.0 111.045 179.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.3 t -83.85 109.71 20.47 Favored Pre-proline 0 C--N 1.321 -0.636 0 N-CA-C 109.47 -0.567 . . . . 20.0 109.47 177.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.436 ' HD3' ' O ' ' A' ' 5' ' ' LEU . 92.5 Cg_endo -82.92 140.01 9.95 Favored 'Trans proline' 0 N--CA 1.457 -0.64 0 C-N-CA 122.431 2.087 . . . . 20.0 112.186 -177.66 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 21.6 ptm -80.26 111.79 16.97 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.542 -0.54 . . . . 20.0 109.542 176.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 67.6 t 69.77 106.29 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-N 115.705 -0.679 . . . . 20.0 110.287 -175.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.2 m -62.47 106.93 0.83 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.796 -0.638 . . . . 20.0 111.92 -177.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -114.04 144.02 43.8 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.296 -0.631 . . . . 20.0 109.296 171.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -96.57 -27.53 14.79 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.444 -0.343 . . . . 20.0 111.371 -173.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -153.59 -57.33 0.12 Allowed 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 111.857 0.318 . . . . 20.0 111.857 -175.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.5 m 61.68 97.93 0.03 OUTLIER 'General case' 0 C--O 1.235 0.321 0 CA-C-O 121.318 0.58 . . . . 20.0 110.766 -176.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.506 HG22 ' H ' ' A' ' 18' ' ' GLU . 4.1 mp -80.28 94.69 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.92 -0.582 . . . . 20.0 109.89 -177.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.473 ' HA ' ' ND2' ' A' ' 19' ' ' ASN . 8.4 mm-40 -62.28 -32.42 73.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.921 -178.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.4 tp60 -61.9 -30.06 70.63 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.961 -0.563 . . . . 20.0 110.553 178.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' H ' HG22 ' A' ' 15' ' ' ILE . 8.8 tp10 -91.32 -58.54 2.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.2 -0.455 . . . . 20.0 111.713 -178.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.473 ' ND2' ' HA ' ' A' ' 16' ' ' GLU . 9.6 p30 -66.71 -20.29 65.94 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 112.17 0.433 . . . . 20.0 112.17 -168.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.4 m -73.79 -29.71 62.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 20.0 110.461 177.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -90.38 -36.74 14.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.175 0.512 . . . . 20.0 110.178 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -66.23 -20.53 66.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.669 -0.696 . . . . 20.0 110.72 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -58.41 -57.09 14.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.526 -0.306 . . . . 20.0 111.306 -177.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 4.1 p90 -73.67 -20.11 60.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.987 0.422 . . . . 20.0 111.01 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.4 tp -75.86 -27.69 57.9 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.27 0.557 . . . . 20.0 109.843 176.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -86.09 -37.41 18.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.662 -0.699 . . . . 20.0 110.11 177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.49 -1.04 25.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.945 -0.571 . . . . 20.0 111.757 -179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.514 ' HA ' ' O ' ' A' ' 31' ' ' THR . 23.1 pttm -64.63 -16.56 62.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.82 0.343 . . . . 20.0 110.815 -179.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.1 p -73.54 -19.92 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.023 -0.535 . . . . 20.0 110.714 178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.15 -38.68 6.47 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.223 0.535 . . . . 20.0 109.851 177.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.514 ' O ' ' HA ' ' A' ' 28' ' ' LYS . 92.8 m -145.34 109.54 4.88 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.533 -0.758 . . . . 20.0 109.582 175.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 36.4 m -78.48 61.03 2.77 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.005 0.431 . . . . 20.0 110.954 -178.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 86.2 mt 59.51 -88.73 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.213 -0.903 . . . . 20.0 111.761 179.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -130.56 86.13 2.35 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.99 0.424 . . . . 20.0 110.197 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -118.54 123.18 29.4 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-N 116.112 -0.495 . . . . 20.0 110.297 179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -72.45 -24.22 19.42 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.223 1.948 . . . . 20.0 111.465 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.487 ' HB3' ' HD3' ' A' ' 38' ' ' PRO . 15.7 tpt180 -179.26 -55.01 0.0 OUTLIER Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.31 -0.859 . . . . 20.0 109.84 178.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HD3' ' HB3' ' A' ' 37' ' ' ARG . 73.8 Cg_endo -73.24 153.63 51.21 Favored 'Trans proline' 0 C--N 1.356 0.963 0 C-N-CA 121.872 1.715 . . . . 20.0 111.775 175.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.69 94.62 8.69 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.784 0.326 . . . . 20.0 110.324 178.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.468 HD12 ' H ' ' A' ' 40' ' ' ILE . 3.5 mp -64.22 123.95 84.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.929 179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -56.49 120.05 7.67 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.781 2.321 . . . . 20.0 112.335 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 25.7 p80 -63.8 -20.03 65.47 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.391 -0.368 . . . . 20.0 110.595 178.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -60.27 -32.16 70.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.983 -0.553 . . . . 20.0 110.977 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -66.91 -38.85 87.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.916 0.389 . . . . 20.0 110.434 -179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.3 t -68.75 -46.33 79.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.912 -0.585 . . . . 20.0 110.317 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -66.69 -33.15 75.01 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.434 -0.803 . . . . 20.0 110.394 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.634 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 74.7 ttt180 -65.74 -43.93 87.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.084 -0.507 . . . . 20.0 109.855 176.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -59.37 -35.54 74.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.003 -0.544 . . . . 20.0 110.521 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.1 mtt -74.35 -38.94 63.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.868 -0.606 . . . . 20.0 110.227 176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.71 -30.65 71.57 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.865 -0.607 . . . . 20.0 111.076 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.634 ' HG2' ' O ' ' A' ' 47' ' ' ARG . 9.7 mm-40 -60.35 -31.67 70.54 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.812 -0.631 . . . . 20.0 110.271 176.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -79.84 -44.87 19.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.812 -0.631 . . . . 20.0 110.435 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -66.26 -21.85 66.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 20.0 110.749 178.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.01 -36.49 72.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.295 -0.411 . . . . 20.0 111.186 178.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -69.18 -38.15 78.54 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.097 0.475 . . . . 20.0 110.529 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 81.2 mtp -80.16 -16.28 55.22 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.766 -0.652 . . . . 20.0 110.373 -177.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -88.56 -0.45 57.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.532 -0.758 . . . . 20.0 110.303 -178.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 52.7 mtpt -80.13 59.21 3.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.086 -0.506 . . . . 20.0 111.067 179.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -99.0 131.14 45.27 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.878 -0.601 . . . . 20.0 109.737 177.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.2 ptt180 -75.84 -6.83 52.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.559 0.219 . . . . 20.0 111.059 -177.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.4 t -63.87 105.99 0.93 Allowed 'General case' 0 N--CA 1.453 -0.301 0 N-CA-C 109.6 -0.518 . . . . 20.0 109.6 175.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.43 ' HB2' ' NZ ' ' A' ' 62' ' ' LYS . 9.7 mtmp? -132.87 79.93 1.87 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.994 -0.548 . . . . 20.0 109.58 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 C--O 1.251 1.153 0 O-C-N 124.031 0.832 . . . . 20.0 110.24 -179.115 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . 0.438 ' O ' ' HB2' ' A' ' -6' ' ' ASP . 1.5 mpt? . . . . . 0 N--CA 1.48 1.074 0 N-CA-C 109.294 -0.632 . . . . 20.0 109.294 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' -5' ' ' TYR . 3.8 m-20 69.95 134.42 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.375 0 O-C-N 124.058 0.849 . . . . 20.0 109.931 -171.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . 0.494 ' HB3' ' O ' ' A' ' -6' ' ' ASP . 50.3 t80 73.83 -51.9 0.69 Allowed 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 123.054 0.542 . . . . 20.0 110.263 -172.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 23.8 ttmm -163.79 155.78 17.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.769 -0.456 . . . . 20.0 109.769 174.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -101.91 66.73 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.516 0.674 . . . . 20.0 110.667 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -79.61 -62.27 1.74 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.754 -0.657 . . . . 20.0 111.149 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 37.2 t70 57.29 55.95 5.48 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-O 121.863 0.84 . . . . 20.0 108.872 -170.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -67.77 -26.89 66.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 114.919 -1.037 . . . . 20.0 111.321 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -77.55 -17.45 57.89 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.15 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 70.39 100.9 0.06 Allowed 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.422 -0.808 . . . . 20.0 111.12 176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -97.25 26.33 4.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.024 -0.534 . . . . 20.0 110.753 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -101.08 28.44 5.32 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.131 -177.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 58.73 50.74 8.4 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 121.448 0.642 . . . . 20.0 110.865 178.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 p -158.4 113.96 1.71 Allowed Pre-proline 0 C--N 1.32 -0.696 0 CA-C-N 115.202 -0.908 . . . . 20.0 109.73 178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.81 -51.65 9.24 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.321 2.681 . . . . 20.0 112.334 179.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 22.8 mmt 56.26 44.0 25.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.374 0.607 . . . . 20.0 111.256 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 11.3 t -116.94 9.0 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 108.697 -0.853 . . . . 20.0 108.697 176.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t 60.59 40.11 17.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.64 -1.164 . . . . 20.0 110.02 -177.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -97.0 53.13 1.18 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.575 -0.739 . . . . 20.0 110.265 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 18.9 p90 -64.38 -55.68 19.46 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.468 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -148.8 67.38 1.05 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.072 0.463 . . . . 20.0 110.152 178.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.2 t -150.09 87.35 1.46 Allowed 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.842 0.83 . . . . 20.0 110.387 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.492 HD12 ' N ' ' A' ' 15' ' ' ILE . 4.1 mp -99.83 127.75 52.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.499 -0.773 . . . . 20.0 110.328 -176.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -58.52 -44.72 89.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.599 -0.728 . . . . 20.0 110.661 179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.415 ' HG2' ' CE2' ' A' ' 21' ' ' TYR . 36.2 tt0 -67.72 -36.06 79.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.964 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' CB ' ' HB ' ' A' ' 15' ' ' ILE . 37.1 tt0 -65.6 -40.16 92.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 20.0 110.367 -177.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -70.39 -26.75 63.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.199 -0.455 . . . . 20.0 110.708 178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.4 t -66.83 -35.69 80.63 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.388 -0.597 . . . . 20.0 109.388 175.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.415 ' CE2' ' HG2' ' A' ' 17' ' ' GLN . 29.5 m-85 -72.45 -36.56 68.55 Favored 'General case' 0 CA--C 1.523 -0.073 0 CA-C-N 116.364 -0.38 . . . . 20.0 110.03 174.211 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.505 ' HB3' ' SD ' ' A' ' 49' ' ' MET . 93.4 m-20 -58.35 -39.31 79.17 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-N 115.984 -0.553 . . . . 20.0 110.957 178.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -63.55 -35.0 79.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.946 0.403 . . . . 20.0 110.492 178.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.8 t90 -72.77 -40.16 66.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 20.0 110.453 178.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.2 -39.29 93.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.305 0.574 . . . . 20.0 109.809 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.52 ' O ' HG12 ' A' ' 29' ' ' VAL . 71.6 ttt180 -67.01 -32.72 74.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.301 -0.863 . . . . 20.0 110.705 178.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.11 71.98 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.238 -0.437 . . . . 20.0 110.824 177.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -82.27 -24.69 34.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.706 -0.679 . . . . 20.0 111.959 -176.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 26' ' ' ARG . 8.8 p -81.02 -18.43 11.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.26 0.553 . . . . 20.0 110.632 -178.311 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.02 29.36 7.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.772 -0.649 . . . . 20.0 111.163 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 3.1 m -85.02 57.53 4.5 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.33 0.586 . . . . 20.0 110.881 -177.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 57.7 m -156.55 141.9 17.47 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.93 179.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -77.46 63.88 2.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.175 0.512 . . . . 20.0 110.509 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -92.43 -158.44 0.59 Allowed 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.626 -0.716 . . . . 20.0 110.118 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -59.06 141.31 86.6 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-O 120.787 0.327 . . . . 20.0 110.757 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.23 127.11 22.89 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 123.04 2.493 . . . . 20.0 112.658 -176.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -81.58 132.63 54.56 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.845 -0.616 . . . . 20.0 109.425 175.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -68.67 149.77 73.85 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.887 2.391 . . . . 20.0 112.433 -177.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.44 70.26 4.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.389 0.614 . . . . 20.0 110.787 -179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.41 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 22.0 pt -89.33 138.82 28.47 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 115.618 -0.719 . . . . 20.0 110.711 179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 40' ' ' ILE . 36.4 Cg_exo -61.28 152.5 71.84 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.796 2.331 . . . . 20.0 111.459 176.039 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.7 p-80 -65.15 -16.29 63.34 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.329 -0.396 . . . . 20.0 111.479 -176.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -67.98 -23.76 65.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.168 0.509 . . . . 20.0 110.336 176.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -82.16 -47.11 12.91 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.792 -0.64 . . . . 20.0 110.267 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 40.4 t -64.51 -31.23 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.246 -0.888 . . . . 20.0 110.785 -177.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -46.67 -42.54 16.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.758 -0.655 . . . . 20.0 111.15 177.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.582 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 30.6 ttp180 -77.61 -49.29 14.88 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.688 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.6 mmt180 -61.79 -40.67 96.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.934 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.505 ' SD ' ' HB3' ' A' ' 22' ' ' ASN . 53.4 ttm -65.93 -38.72 89.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.814 0.34 . . . . 20.0 110.173 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.13 -40.49 94.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.886 -0.597 . . . . 20.0 110.573 177.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.582 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 55.7 mt-10 -65.61 -45.12 84.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.789 -0.641 . . . . 20.0 110.373 178.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.531 ' O ' ' HG2' ' A' ' 56' ' ' MET . 56.4 ttp180 -65.41 -32.69 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.007 -0.542 . . . . 20.0 111.137 -178.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -57.04 -49.61 75.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.006 0.432 . . . . 20.0 110.395 177.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.89 -22.21 53.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 20.0 110.49 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 24.4 ttpp -72.08 -23.62 61.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.189 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.531 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 92.9 mmm -75.58 -13.32 60.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 20.0 110.361 176.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -94.7 -58.72 2.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.968 -0.56 . . . . 20.0 109.599 174.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.46 ' C ' ' HD2' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -132.3 133.3 43.89 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.315 -0.994 . . . . 20.0 108.315 177.2 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -127.25 -56.25 1.33 Allowed 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.015 0.435 . . . . 20.0 111.328 -175.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -112.95 154.16 26.85 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.81 -0.632 . . . . 20.0 110.562 -172.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 m -72.53 89.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.941 -0.572 . . . . 20.0 111.114 -178.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -67.2 138.53 57.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.217 177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.457 -0.783 . . . . 20.0 109.612 -179.342 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 27.2 ptt? . . . . . 0 N--CA 1.484 1.268 0 CA-C-O 120.691 0.281 . . . . 20.0 110.855 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -124.68 -82.02 0.64 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.928 0.394 . . . . 20.0 110.559 -178.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -164.71 168.37 18.04 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.206 -0.665 . . . . 20.0 109.206 -179.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 61.87 63.02 1.17 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.758 0.79 . . . . 20.0 109.836 179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -92.19 52.28 1.93 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.327 -0.851 . . . . 20.0 111.354 -174.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -62.71 -37.71 87.6 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-O 121.491 0.662 . . . . 20.0 110.218 174.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -96.7 80.46 3.08 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.486 -0.779 . . . . 20.0 109.733 174.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -86.37 1.32 51.6 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.463 -0.79 . . . . 20.0 109.756 176.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.9 mtpp -78.93 -8.85 59.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.472 -0.785 . . . . 20.0 110.172 178.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 43.6 t-20 -56.66 134.7 54.85 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.286 -0.87 . . . . 20.0 110.07 178.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.3 tpt180 -78.37 -14.88 59.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.932 0.396 . . . . 20.0 110.899 -174.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 63.72 19.85 11.93 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.48 -0.782 . . . . 20.0 111.674 178.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.5 tt -87.06 72.04 10.1 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.437 0.637 . . . . 20.0 109.521 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.6 m -153.21 92.18 3.28 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.771 -0.65 . . . . 20.0 110.3 178.466 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.65 -45.78 13.1 Favored 'Trans proline' 0 N--CA 1.464 -0.245 0 C-N-CA 122.593 2.195 . . . . 20.0 111.442 177.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.2 tpp 49.99 75.54 0.17 Allowed 'General case' 0 C--O 1.233 0.191 0 O-C-N 123.923 0.765 . . . . 20.0 111.527 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.7 p -133.87 106.74 9.18 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 CA-C-O 121.552 0.692 . . . . 20.0 109.912 176.393 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 13.2 p -120.71 64.28 0.85 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.566 -176.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -100.06 37.43 1.65 Allowed 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.968 -0.56 . . . . 20.0 109.854 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.0 p90 -63.41 127.07 29.66 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.367 -0.833 . . . . 20.0 110.515 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -94.26 40.32 1.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.236 0.541 . . . . 20.0 110.038 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 p -134.23 67.95 1.5 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.414 -0.812 . . . . 20.0 110.938 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.567 HG22 ' H ' ' A' ' 17' ' ' GLN . 80.7 mt -97.63 133.4 39.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.526 -0.761 . . . . 20.0 109.578 177.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.42 ' HA ' HD21 ' A' ' 19' ' ' ASN . 48.0 mt-10 -61.1 -27.91 68.71 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.974 -0.557 . . . . 20.0 111.502 -175.367 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.567 ' H ' HG22 ' A' ' 15' ' ' ILE . 97.0 mt-30 -71.37 -12.43 61.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.904 -0.589 . . . . 20.0 110.961 178.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.426 ' HG3' ' HB ' ' A' ' 15' ' ' ILE . 46.9 mt-10 -90.46 -48.72 6.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.807 0.337 . . . . 20.0 110.37 178.14 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.569 ' HA ' ' HB3' ' A' ' 22' ' ' ASN . 2.8 p30 -76.01 -15.67 60.1 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.265 -0.425 . . . . 20.0 112.072 -176.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 p -64.87 -47.39 78.04 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.01 0.434 . . . . 20.0 110.276 176.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.3 m-85 -80.84 -21.97 40.33 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.762 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.569 ' HB3' ' HA ' ' A' ' 19' ' ' ASN . 27.9 t-20 -70.22 -23.06 62.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.932 -0.576 . . . . 20.0 110.218 176.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.94 -33.33 74.08 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.78 -0.645 . . . . 20.0 110.557 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -70.7 -36.91 73.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 20.0 109.712 176.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.0 tp -63.3 -37.5 87.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.966 177.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -62.47 -39.23 92.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.425 -0.807 . . . . 20.0 110.417 175.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.27 -34.49 70.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.083 -0.508 . . . . 20.0 110.871 179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -64.76 -46.46 82.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.752 -0.658 . . . . 20.0 111.144 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 10.7 p -72.62 -30.06 32.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.004 0.43 . . . . 20.0 110.713 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.0 76.95 9.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.108 -0.496 . . . . 20.0 110.261 177.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 7.8 t -68.92 140.74 55.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 20.0 111.017 -178.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.9 m -88.38 5.17 43.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.957 -0.565 . . . . 20.0 110.415 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -97.78 8.68 44.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.893 -0.594 . . . . 20.0 110.376 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -69.27 137.64 53.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.806 -0.634 . . . . 20.0 110.139 177.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 14.4 m-20 -73.7 126.97 89.26 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.369 -0.378 . . . . 20.0 110.739 -176.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 6.1 Cg_exo -77.89 55.05 5.11 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.847 2.365 . . . . 20.0 111.412 175.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.403 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 74.7 ttt180 -129.85 99.1 20.67 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.681 -0.69 . . . . 20.0 110.274 -177.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 39.0 Cg_endo -67.13 110.12 1.9 Allowed 'Trans proline' 0 C--O 1.233 0.264 0 C-N-CA 122.494 2.129 . . . . 20.0 112.522 -178.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.536 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . -154.67 144.99 22.02 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.743 -0.662 . . . . 20.0 109.766 178.533 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.4 mt -103.47 101.26 22.28 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.852 0.358 . . . . 20.0 111.063 -179.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.536 ' HD3' ' O ' ' A' ' 39' ' ' ALA . 88.1 Cg_endo -92.19 158.4 3.18 Favored 'Trans proline' 0 N--CA 1.455 -0.745 0 C-N-CA 123.223 2.615 . . . . 20.0 112.003 175.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -73.22 -21.13 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.793 -0.447 . . . . 20.0 109.793 176.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -62.41 -37.23 85.0 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.643 -0.708 . . . . 20.0 110.498 175.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.404 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 34.5 tt0 -64.79 -45.75 85.01 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.609 -178.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.52 ' O ' ' HG2' ' A' ' 49' ' ' MET . 47.7 t -65.95 -42.87 92.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 116.113 -0.494 . . . . 20.0 110.098 179.443 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -61.43 -48.7 79.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.623 -0.717 . . . . 20.0 110.986 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -65.85 -36.38 83.29 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 121.01 -0.276 . . . . 20.0 110.6 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 21.1 mmm180 -62.1 -40.07 94.6 Favored 'General case' 0 CA--C 1.518 -0.28 0 C-N-CA 121.259 -0.176 . . . . 20.0 110.718 179.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.52 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 26.4 mmt -57.86 -36.76 72.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 20.0 110.94 178.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -81.19 -52.07 7.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.064 -0.517 . . . . 20.0 111.125 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.476 ' O ' ' HD3' ' A' ' 55' ' ' LYS . 53.1 mt-10 -64.84 -33.41 75.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.246 -0.433 . . . . 20.0 111.709 -174.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -61.28 -32.54 72.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.144 0.497 . . . . 20.0 110.296 178.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.8 t80 -90.06 -41.75 11.51 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.808 -0.633 . . . . 20.0 110.298 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.34 -49.35 77.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.809 -0.632 . . . . 20.0 111.796 -177.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 51' ' ' GLU . 5.7 mptp? -61.27 -24.9 66.73 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.507 -0.315 . . . . 20.0 111.089 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 50.7 ttp -81.01 -47.14 14.01 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.882 0.372 . . . . 20.0 110.518 178.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.5 tpp180 -67.61 -40.37 84.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 20.0 110.765 -177.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 38.3 mtmm 57.79 69.75 0.71 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.275 0.56 . . . . 20.0 110.624 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -71.19 -26.89 63.15 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.5 -0.773 . . . . 20.0 110.231 -178.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.403 ' HD2' HH11 ' A' ' 60' ' ' ARG . 39.0 ttm180 -62.69 -65.03 0.75 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.586 -0.733 . . . . 20.0 110.256 178.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 40.5 m -155.31 123.74 5.96 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.841 -0.618 . . . . 20.0 109.659 179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.496 ' HG3' ' H ' ' A' ' 63' ' ' GLN . 17.8 ptmt -112.13 -51.28 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.642 0.258 . . . . 20.0 110.895 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.496 ' H ' ' HG3' ' A' ' 62' ' ' LYS . 21.5 mm-40 . . . . . 0 C--O 1.245 0.821 0 N-CA-C 109.01 -0.737 . . . . 20.0 109.01 -178.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.478 0.965 0 CA-C-O 120.336 0.112 . . . . 20.0 110.931 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -79.66 -51.96 8.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 20.0 111.162 -179.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -77.33 90.84 3.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.995 -0.548 . . . . 20.0 109.882 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -94.16 4.13 54.32 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.911 -0.586 . . . . 20.0 110.397 -175.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -90.53 130.73 36.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.919 -0.582 . . . . 20.0 109.777 177.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -87.46 -47.23 8.92 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 108.867 -0.79 . . . . 20.0 108.867 176.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -165.39 79.43 0.31 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.061 -0.972 . . . . 20.0 109.48 175.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -90.61 -50.74 5.76 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.068 0.461 . . . . 20.0 110.174 178.44 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -93.09 -61.68 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.913 -0.585 . . . . 20.0 109.645 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 50.5 t30 178.33 86.78 0.01 OUTLIER 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.91 0.756 . . . . 20.0 109.833 176.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.7 ttm-85 -110.44 -19.36 12.97 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.336 0.589 . . . . 20.0 109.643 179.292 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -75.89 -31.97 59.45 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.998 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mp -122.8 54.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.139 0.495 . . . . 20.0 110.943 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -80.37 136.87 52.45 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 115.871 -0.604 . . . . 20.0 110.219 176.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -81.83 64.93 8.56 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.686 2.257 . . . . 20.0 112.576 178.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.4 pmm? -72.99 149.9 42.9 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.849 -0.426 . . . . 20.0 109.849 178.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 46.3 t -118.28 107.38 21.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 120.674 0.273 . . . . 20.0 110.553 -177.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 m 60.47 49.13 7.0 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.614 -0.721 . . . . 20.0 110.352 179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -133.77 55.91 1.87 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.397 -0.82 . . . . 20.0 110.269 -177.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -70.3 129.05 38.3 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.164 -0.471 . . . . 20.0 110.703 -179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.04 152.8 42.29 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.158 -0.682 . . . . 20.0 109.158 177.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -116.57 87.03 2.61 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.086 0.469 . . . . 20.0 111.005 -175.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.7 mt -94.75 113.36 29.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.48 -0.563 . . . . 20.0 109.48 176.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -57.99 -29.74 65.5 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.827 0.677 . . . . 20.0 112.827 -169.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -63.83 -57.63 9.29 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.585 0.231 . . . . 20.0 110.962 -179.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.0 mp0 -75.83 -31.51 59.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.431 . . . . 20.0 110.979 -179.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.427 ' N ' HD22 ' A' ' 19' ' ' ASN . 0.9 OUTLIER -75.24 -12.22 60.24 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.101 -0.499 . . . . 20.0 111.792 -177.289 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.2 p -48.97 -44.34 40.81 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.72 0.295 . . . . 20.0 111.251 179.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -68.34 -38.88 81.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.004 0.43 . . . . 20.0 110.55 177.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -64.57 -31.92 73.35 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.782 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -61.39 -41.45 97.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.066 0.46 . . . . 20.0 110.051 176.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 38.0 t90 -66.09 -38.83 89.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.795 -0.639 . . . . 20.0 110.059 179.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' O ' HG23 ' A' ' 29' ' ' VAL . 98.6 mt -64.84 -41.95 95.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 20.0 109.969 176.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.31 -41.91 90.15 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.654 -0.703 . . . . 20.0 110.268 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.9 -29.32 70.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.095 -0.502 . . . . 20.0 111.256 179.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.9 mtpm? -80.67 -21.18 41.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.178 -179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 25' ' ' LEU . 71.7 t -96.97 -55.9 5.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 111.982 0.364 . . . . 20.0 111.982 -175.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.58 150.42 34.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.962 0.411 . . . . 20.0 111.243 -172.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 5.5 m -101.73 -22.73 14.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.402 178.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.3 m -98.59 -77.39 0.51 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.221 -0.445 . . . . 20.0 111.148 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 87.3 mt -121.8 124.7 44.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.71 -0.223 . . . . 20.0 110.46 -176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -103.02 -23.31 13.7 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.813 0.34 . . . . 20.0 111.278 -179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -126.97 84.19 64.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 116.388 -0.369 . . . . 20.0 110.418 179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.97 133.8 26.04 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.541 2.161 . . . . 20.0 112.144 -178.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.422 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 32.2 mmt180 -91.57 150.42 41.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.281 -179.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 37' ' ' ARG . 2.7 Cg_exo -74.96 70.13 5.34 Favored 'Trans proline' 0 N--CA 1.461 -0.419 0 C-N-CA 122.848 2.366 . . . . 20.0 111.599 176.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.62 131.43 35.5 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.46 -0.791 . . . . 20.0 110.365 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 36.6 pt -93.28 142.25 25.03 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.471 179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.58 120.0 7.62 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.522 2.148 . . . . 20.0 110.866 174.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -60.53 -19.98 58.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.509 -0.314 . . . . 20.0 111.735 -174.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.23 -23.29 63.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.645 0.26 . . . . 20.0 110.973 178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -71.24 -27.51 63.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.474 0.654 . . . . 20.0 109.736 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 49' ' ' MET . 76.3 t -69.59 -44.48 79.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.477 -0.783 . . . . 20.0 109.703 176.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -63.05 -33.89 76.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.491 -0.777 . . . . 20.0 110.38 177.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.5 tpm_? -60.78 -38.36 85.0 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.596 -0.729 . . . . 20.0 110.677 178.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -78.03 -28.04 48.97 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.26 -0.427 . . . . 20.0 110.71 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.3 mmt -62.82 -24.92 68.0 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.078 -0.51 . . . . 20.0 111.589 -179.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.79 69.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 20.0 111.86 -177.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -69.05 -33.8 74.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.754 -179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -63.78 -44.6 92.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.297 -0.41 . . . . 20.0 110.287 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -71.54 -34.29 69.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.96 178.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.66 -44.26 94.3 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.913 0.387 . . . . 20.0 110.814 179.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.543 ' HA ' ' HE3' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -72.6 -30.1 64.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.33 -0.395 . . . . 20.0 110.814 178.125 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 47.7 ttm -75.03 -28.52 60.49 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.282 -0.417 . . . . 20.0 110.652 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 19.9 tpp180 -62.22 -42.37 99.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.809 -0.632 . . . . 20.0 110.354 178.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt 53.35 58.35 5.32 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 121.036 0.446 . . . . 20.0 110.798 177.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -82.2 44.41 0.86 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.858 0.837 . . . . 20.0 110.094 179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -93.68 69.33 4.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.829 -1.078 . . . . 20.0 109.927 -177.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.8 p -71.31 -19.35 62.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.206 0.527 . . . . 20.0 110.778 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -94.23 45.88 1.15 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.037 178.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 . . . . . 0 C--O 1.249 1.061 0 CA-C-N 115.555 -0.748 . . . . 20.0 110.342 -178.941 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.481 1.124 0 CA-C-O 120.974 0.416 . . . . 20.0 110.943 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -116.69 161.13 19.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.322 -0.399 . . . . 20.0 110.795 177.768 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -116.99 154.16 31.38 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.136 -179.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt 72.15 -44.03 0.58 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.549 0.74 . . . . 20.0 111.878 -179.844 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -73.36 0.75 11.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.051 0.453 . . . . 20.0 110.665 175.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -54.78 -35.54 63.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.341 -0.845 . . . . 20.0 111.262 177.052 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -79.64 96.44 6.19 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.001 -0.545 . . . . 20.0 111.094 -179.531 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -90.63 0.64 57.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.94 -0.573 . . . . 20.0 109.66 174.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -72.66 -50.83 22.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.473 -0.785 . . . . 20.0 111.117 -173.787 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.0 t30 -71.54 -11.89 61.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.36 0.6 . . . . 20.0 110.379 -179.325 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 28.1 mmm180 -105.94 11.92 31.17 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.057 -0.52 . . . . 20.0 110.626 176.136 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -94.56 31.08 1.84 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.281 0.562 . . . . 20.0 110.569 179.465 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.498 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 10.0 mp -97.71 69.38 2.14 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.778 -0.646 . . . . 20.0 109.908 178.93 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.0 m -90.67 107.92 23.75 Favored Pre-proline 0 C--N 1.322 -0.597 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.048 179.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.498 ' HD3' ' O ' ' A' ' 5' ' ' LEU . 51.8 Cg_exo -55.63 -33.79 88.22 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.665 2.244 . . . . 20.0 111.449 177.88 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.4 tpt 51.54 52.73 14.1 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-O 121.3 0.571 . . . . 20.0 110.424 174.536 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.3 m -98.74 36.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.591 0.71 . . . . 20.0 111.059 -177.153 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.6 p -82.43 104.93 13.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.333 -0.849 . . . . 20.0 109.686 176.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -83.67 106.45 15.39 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.846 -176.059 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 31.3 p90 -117.5 13.69 14.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.194 0.521 . . . . 20.0 109.871 175.173 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -151.78 30.09 0.59 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.253 -0.885 . . . . 20.0 111.093 -177.155 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 45.2 p 49.54 72.96 0.27 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.333 -0.849 . . . . 20.0 112.416 -178.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.9 mt -74.39 -28.27 22.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.363 0.601 . . . . 20.0 109.857 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -49.74 -27.14 4.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.966 -1.016 . . . . 20.0 112.989 178.608 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 41.3 mt-30 -61.45 -36.75 81.28 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.666 0.269 . . . . 20.0 111.302 -179.765 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -76.32 -26.66 56.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.543 0.211 . . . . 20.0 111.027 -178.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -84.06 -15.23 48.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.366 0.603 . . . . 20.0 110.297 177.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 29.2 t -71.89 -10.55 59.93 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.389 -0.823 . . . . 20.0 111.58 -177.781 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -54.11 -30.24 47.95 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 111.906 0.335 . . . . 20.0 111.906 -176.11 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -61.7 -41.36 97.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 20.0 110.902 178.989 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -83.34 -32.36 26.3 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.119 0.485 . . . . 20.0 109.994 179.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 78.8 t90 -65.78 -35.64 81.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.734 -0.666 . . . . 20.0 110.319 179.522 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.454 ' O ' HG23 ' A' ' 29' ' ' VAL . 1.3 tm? -63.18 -36.57 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.561 -0.533 . . . . 20.0 109.561 179.395 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -60.73 -37.03 80.38 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.242 0.544 . . . . 20.0 110.232 177.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.635 ' HA ' ' OG1' ' A' ' 31' ' ' THR . . . -70.43 -28.47 65.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.698 -0.683 . . . . 20.0 110.879 179.741 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' HA ' ' CE ' ' A' ' 28' ' ' LYS . 1.9 tpmt? -82.78 -27.48 30.96 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.771 -0.649 . . . . 20.0 110.633 -178.255 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 25' ' ' LEU . 92.8 t -66.78 -66.36 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 110.217 -0.29 . . . . 20.0 110.217 176.334 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -177.0 -31.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.99 0.424 . . . . 20.0 111.012 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.635 ' OG1' ' HA ' ' A' ' 27' ' ' ALA . 1.9 m 63.08 26.17 15.28 Favored 'General case' 0 CA--C 1.53 0.211 0 CA-C-N 115.373 -0.83 . . . . 20.0 110.46 179.261 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.4 p 48.52 37.22 8.66 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.581 -0.736 . . . . 20.0 111.622 -174.578 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 31' ' ' THR . 88.1 mt -113.91 113.97 25.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.888 -0.596 . . . . 20.0 109.997 178.702 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 59.15 31.11 20.99 Favored 'General case' 0 N--CA 1.463 0.182 0 O-C-N 123.742 0.651 . . . . 20.0 111.026 -179.041 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -105.04 130.75 22.59 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.553 -0.749 . . . . 20.0 109.477 179.602 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -59.79 -21.91 65.69 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 123.103 2.535 . . . . 20.0 113.175 -176.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 55.01 81.07 0.27 Allowed Pre-proline 0 C--O 1.236 0.353 0 O-C-N 123.302 0.376 . . . . 20.0 111.473 179.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.29 161.42 16.75 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.852 2.368 . . . . 20.0 111.664 178.017 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -47.54 108.9 0.17 Allowed 'General case' 0 C--O 1.233 0.204 0 O-C-N 123.7 0.625 . . . . 20.0 111.573 -177.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.9 mt -74.95 121.94 86.38 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 115.372 -0.831 . . . . 20.0 110.791 -175.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -57.3 133.89 60.27 Favored 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 122.554 2.17 . . . . 20.0 111.001 174.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.488 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 62.1 t60 -66.94 -28.21 68.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.695 -0.23 . . . . 20.0 111.116 -173.279 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -71.56 -28.9 64.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.083 0.468 . . . . 20.0 109.978 176.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 28.5 tt0 -77.93 -32.41 51.59 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 115.853 -0.612 . . . . 20.0 110.129 179.189 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' O ' ' HG2' ' A' ' 49' ' ' MET . 98.1 t -56.88 -49.59 78.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.819 -0.438 . . . . 20.0 109.819 174.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.488 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 5.7 mm-40 -57.29 -39.36 75.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.536 -0.757 . . . . 20.0 110.343 177.581 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -67.89 -44.87 76.01 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.822 179.83 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 90.8 mtt180 -60.76 -35.33 76.13 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 116.174 -0.466 . . . . 20.0 111.106 -179.274 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.503 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.9 mmt -57.25 -32.13 66.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.435 . . . . 20.0 111.831 -176.746 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.99 -41.21 91.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.919 0.39 . . . . 20.0 110.83 177.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.92 -21.8 40.2 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.365 0.602 . . . . 20.0 110.127 179.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.521 ' O ' ' HG2' ' A' ' 56' ' ' MET . 57.9 ttt180 -66.12 -22.78 66.4 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.349 -0.841 . . . . 20.0 111.058 -175.191 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.7 m-85 -60.25 -36.2 77.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.023 0.439 . . . . 20.0 110.282 174.859 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.77 -32.56 23.33 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.048 -0.524 . . . . 20.0 110.01 175.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 52' ' ' ARG . 14.7 tppt? -57.34 -37.7 72.97 Favored 'General case' 0 C--O 1.222 -0.362 0 CA-C-N 115.599 -0.728 . . . . 20.0 110.657 178.561 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.521 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 24.6 mmt -57.82 -29.21 64.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.314 -0.403 . . . . 20.0 111.414 -179.528 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -82.75 -22.19 34.43 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.331 -0.395 . . . . 20.0 111.65 -174.184 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 82.7 tttt -159.34 60.8 0.39 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.435 0.636 . . . . 20.0 110.707 179.719 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -81.0 -21.65 40.08 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.6 0.714 . . . . 20.0 109.16 175.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.4 ptp180 -142.4 158.42 43.72 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 114.514 -1.221 . . . . 20.0 109.231 -177.547 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 m -92.77 -16.44 25.4 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.534 -0.303 . . . . 20.0 111.293 -178.819 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 tppm? -178.56 -37.82 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.962 0.41 . . . . 20.0 110.593 177.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.244 0.776 0 CA-C-N 116.165 -0.471 . . . . 20.0 110.666 -178.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 24.9 ptm . . . . . 0 N--CA 1.483 1.224 0 CA-C-O 120.541 0.21 . . . . 20.0 111.455 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -115.42 -1.17 12.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.969 0.414 . . . . 20.0 111.393 -175.04 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -129.03 146.81 50.9 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.867 0.365 . . . . 20.0 111.017 -178.65 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? -118.12 -0.36 11.62 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.602 0.715 . . . . 20.0 109.675 176.964 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.91 144.96 48.87 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.151 -0.931 . . . . 20.0 109.712 179.439 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -63.97 -32.28 73.76 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.97 -0.559 . . . . 20.0 110.574 178.594 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 21.9 t70 32.46 -79.5 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 O-C-N 125.373 1.671 . . . . 20.0 114.857 167.746 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -58.94 -25.25 63.33 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.929 0.491 . . . . 20.0 112.049 -176.606 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.7 mtmm -92.67 1.23 57.38 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.5 -0.318 . . . . 20.0 111.755 -178.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.439 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . 93.8 m-20 -75.25 71.57 2.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.061 0.458 . . . . 20.0 111.231 -179.268 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -72.48 -19.39 61.56 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.371 0.605 . . . . 20.0 109.861 179.242 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.44 -32.39 58.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.418 -0.81 . . . . 20.0 110.646 176.013 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 2' ' ' ASN . 67.5 tp -81.6 -48.48 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.033 178.791 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.6 p -115.91 99.47 52.61 Favored Pre-proline 0 N--CA 1.446 -0.674 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.137 179.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -55.92 -40.85 82.59 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.577 2.185 . . . . 20.0 111.162 176.307 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.5 ttm -100.37 106.08 17.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.61 -0.723 . . . . 20.0 109.43 173.274 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p -65.71 129.15 29.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.79 -178.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -70.43 114.97 9.07 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.004 -0.544 . . . . 20.0 110.547 179.402 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -100.55 162.5 12.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.96 0.409 . . . . 20.0 110.336 -179.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -91.05 29.69 1.34 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.066 178.546 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.1 114.4 4.15 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.687 -0.688 . . . . 20.0 109.998 -179.836 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.8 m -150.94 116.59 5.46 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.196 -0.456 . . . . 20.0 110.152 -178.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.9 tp -70.64 148.25 10.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.84 -0.618 . . . . 20.0 110.409 -178.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -59.78 -31.51 69.74 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.564 -0.744 . . . . 20.0 112.244 -175.907 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.4 pt20 -73.1 -15.84 61.48 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.753 0.311 . . . . 20.0 110.826 -177.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -80.46 -39.97 27.11 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.815 -0.809 . . . . 20.0 108.815 174.222 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -64.17 -45.4 88.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.418 -0.81 . . . . 20.0 110.667 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.5 p -67.73 -40.56 84.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.376 -0.375 . . . . 20.0 111.143 -178.668 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -68.03 -35.95 79.12 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.993 -0.373 . . . . 20.0 109.993 178.584 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 14.9 t30 -69.81 -32.79 71.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.021 0.438 . . . . 20.0 110.151 176.657 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -64.92 -41.15 95.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.878 -0.601 . . . . 20.0 109.72 173.459 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -64.16 -41.87 96.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.617 -0.72 . . . . 20.0 110.08 175.373 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.2 tp -61.04 -36.68 80.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.747 -0.66 . . . . 20.0 110.396 178.193 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -60.31 -38.93 85.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.587 179.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.94 -30.48 67.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.205 0.526 . . . . 20.0 110.707 178.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -72.98 -43.76 61.86 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.61 -0.723 . . . . 20.0 110.172 177.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.2 t -65.64 -36.49 77.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.74 178.142 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.575 ' HA ' HD23 ' A' ' 33' ' ' LEU . . . -79.05 80.77 5.37 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.13 -0.486 . . . . 20.0 110.815 177.483 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.1 m -92.07 -34.95 14.18 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.157 -0.474 . . . . 20.0 111.381 -176.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.4 t -127.08 48.46 2.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.401 0.619 . . . . 20.0 110.256 -177.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.575 HD23 ' HA ' ' A' ' 30' ' ' ALA . 4.1 mm? -110.82 96.55 6.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.6 -0.727 . . . . 20.0 109.963 179.153 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.83 172.97 12.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.769 -179.394 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -118.86 82.87 21.54 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 116.455 -0.339 . . . . 20.0 110.471 178.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -72.26 96.71 0.81 Allowed 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.433 2.088 . . . . 20.0 112.028 -178.779 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.6 ptt180 -140.63 83.95 14.28 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-O 121.355 0.598 . . . . 20.0 110.851 179.622 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -78.36 159.68 29.32 Favored 'Trans proline' 0 N--CA 1.461 -0.44 0 C-N-CA 122.508 2.139 . . . . 20.0 112.539 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 69.01 -81.17 0.03 OUTLIER 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.446 -0.797 . . . . 20.0 112.263 176.323 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 9.6 pt -133.69 133.49 22.48 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-O 120.971 0.415 . . . . 20.0 111.773 -173.055 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.26 144.79 33.64 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.645 2.23 . . . . 20.0 111.405 174.329 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -73.51 -10.74 60.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.409 -0.36 . . . . 20.0 111.802 -174.272 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -58.2 -54.57 45.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.981 0.419 . . . . 20.0 111.394 -176.245 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -68.79 -33.82 74.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.963 -0.562 . . . . 20.0 111.003 -178.296 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.7 t -61.24 -50.3 81.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.736 -0.468 . . . . 20.0 109.736 176.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -59.29 -41.59 89.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.313 -0.858 . . . . 20.0 110.827 179.583 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -59.58 -55.06 39.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.069 -0.514 . . . . 20.0 110.942 -179.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 86.8 mtt180 -67.47 -31.89 72.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.49 -0.323 . . . . 20.0 110.855 -178.463 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 54.2 tpp -67.98 -43.75 78.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.395 -0.366 . . . . 20.0 110.523 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.23 -48.23 74.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 20.0 110.668 179.173 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -64.31 -26.42 68.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.969 179.374 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -65.12 -32.49 74.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.21 0.529 . . . . 20.0 110.391 179.619 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.466 ' O ' ' HG3' ' A' ' 56' ' ' MET . 73.8 t80 -90.52 -27.62 19.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.769 177.888 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.36 -48.74 11.55 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.295 -0.412 . . . . 20.0 111.786 -177.759 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 58' ' ' LYS . 34.3 mmtp -80.31 0.1 34.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.256 -0.429 . . . . 20.0 111.946 -172.225 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.466 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 4.6 ppp? -80.11 -20.99 43.75 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.333 -0.617 . . . . 20.0 109.333 173.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.448 ' HA ' ' NE ' ' A' ' 57' ' ' ARG . 5.9 tpm_? -88.21 -42.11 12.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.611 -0.722 . . . . 20.0 110.006 176.882 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 55' ' ' LYS . 22.0 pttp -149.17 129.01 13.33 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.069 -0.514 . . . . 20.0 109.975 176.219 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -86.75 61.19 6.67 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.102 0.477 . . . . 20.0 110.319 -179.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -152.5 137.78 17.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.838 -0.619 . . . . 20.0 109.815 -177.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.8 m -99.66 -6.57 26.99 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 111.792 0.293 . . . . 20.0 111.792 -175.349 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 58.4 mtpt -64.13 130.67 44.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.647 0.26 . . . . 20.0 110.677 -179.249 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.66 -0.686 . . . . 20.0 110.111 -177.893 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 N--CA 1.48 1.028 0 N-CA-C 109.949 -0.389 . . . . 20.0 109.949 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -151.23 171.54 17.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.138 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 16.4 p90 -134.76 38.64 3.03 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.91 -0.587 . . . . 20.0 109.72 176.282 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -72.1 -27.23 62.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.603 -0.726 . . . . 20.0 110.817 -177.261 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.453 ' HA ' ' OD2' ' A' ' 0' ' ' ASP . 9.2 p-10 -96.35 33.03 1.85 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.29 0.567 . . . . 20.0 110.762 -179.046 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -72.13 -48.42 43.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.804 -0.635 . . . . 20.0 111.103 -177.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.92 -43.99 42.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.054 -0.521 . . . . 20.0 111.494 -175.088 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . 0.453 ' OD2' ' HA ' ' A' ' -3' ' ' ASP . 3.6 p30 -73.64 -7.77 53.3 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.764 0.316 . . . . 20.0 111.358 -178.08 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -67.39 -29.87 69.51 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.526 -0.546 . . . . 20.0 109.526 173.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -95.98 70.62 2.88 Favored 'General case' 0 C--O 1.236 0.344 0 N-CA-C 109.18 -0.674 . . . . 20.0 109.18 177.745 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -103.53 10.18 37.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.34 -0.845 . . . . 20.0 110.5 -178.938 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.58 78.39 9.85 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.683 -0.69 . . . . 20.0 110.606 179.312 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.61 HD23 ' H ' ' A' ' 5' ' ' LEU . 2.6 pt? -107.86 147.12 31.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.011 -0.54 . . . . 20.0 109.853 177.402 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.2 t -84.48 120.06 73.78 Favored Pre-proline 0 C--N 1.322 -0.59 0 N-CA-C 109.512 -0.551 . . . . 20.0 109.512 177.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_endo -71.07 92.45 0.64 Allowed 'Trans proline' 0 N--CA 1.462 -0.345 0 C-N-CA 122.502 2.135 . . . . 20.0 111.779 -179.625 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.2 ptp -89.04 51.25 2.11 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.416 0.626 . . . . 20.0 110.845 -177.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 42.1 t -90.44 107.43 18.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.667 -0.697 . . . . 20.0 109.281 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.6 p -140.19 -10.34 1.12 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.889 0.329 . . . . 20.0 111.889 -176.761 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -88.07 128.04 35.41 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 121.064 -0.254 . . . . 20.0 110.463 179.315 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 23.7 t80 68.18 167.69 0.26 Allowed 'General case' 0 CA--C 1.533 0.303 0 O-C-N 123.979 0.8 . . . . 20.0 110.111 -177.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 65.27 19.76 11.75 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.894 0.378 . . . . 20.0 110.844 -179.352 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.431 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 11.5 p -84.34 -177.72 6.71 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.055 -0.52 . . . . 20.0 111.248 -177.62 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' ' 14' ' ' THR . 50.5 mm 75.68 -42.57 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 O-C-N 123.586 0.554 . . . . 20.0 110.989 179.092 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -64.49 -18.98 65.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.827 -0.624 . . . . 20.0 111.756 -178.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -70.8 -27.8 64.17 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.964 0.411 . . . . 20.0 110.251 176.391 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.475 ' O ' ' HB3' ' A' ' 21' ' ' TYR . 43.1 mt-10 -86.35 -35.08 20.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.049 -0.523 . . . . 20.0 111.494 -172.998 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.6 p30 -78.96 -33.72 44.96 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.5 -0.48 . . . . 20.0 111.005 179.892 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 59.8 p -76.48 -14.06 60.06 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.149 0.499 . . . . 20.0 110.073 176.313 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' HB3' ' O ' ' A' ' 18' ' ' GLU . 82.4 t80 -60.51 -29.56 69.18 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.463 -0.79 . . . . 20.0 110.433 177.601 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 -66.33 -36.04 81.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.036 0.446 . . . . 20.0 110.181 176.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -76.91 -32.77 57.64 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.08 -0.509 . . . . 20.0 109.977 178.16 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 68.5 t-105 -62.34 -39.06 91.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.012 -0.54 . . . . 20.0 110.342 174.364 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -62.8 -46.04 89.84 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.131 -0.692 . . . . 20.0 109.131 175.744 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.9 ttp180 -58.92 -36.48 74.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.86 -0.609 . . . . 20.0 110.59 177.313 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.402 ' HA ' ' HB ' ' A' ' 31' ' ' THR . . . -64.3 -44.79 90.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.899 -0.591 . . . . 20.0 111.13 -179.792 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -69.79 -32.98 71.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.034 -0.53 . . . . 20.0 111.106 -177.758 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 87.9 t -82.39 -45.64 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.313 -0.403 . . . . 20.0 112.031 -177.133 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -139.38 -47.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.989 0.737 . . . . 20.0 112.989 -172.43 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.402 ' HB ' ' HA ' ' A' ' 27' ' ' ALA . 7.3 m -83.09 59.57 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.64 0.733 . . . . 20.0 111.223 -173.401 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 26.7 t -110.61 95.89 5.84 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.665 -0.698 . . . . 20.0 109.478 178.331 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.4 HD22 ' N ' ' A' ' 33' ' ' LEU . 2.8 mm? -83.81 -26.52 29.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.237 0.541 . . . . 20.0 109.659 -179.814 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -126.84 151.4 48.39 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.081 -179.345 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' HB2' ' HD2' ' A' ' 36' ' ' PRO . 4.3 p-10 -72.32 157.97 88.29 Favored Pre-proline 0 C--N 1.323 -0.552 0 N-CA-C 109.311 -0.625 . . . . 20.0 109.311 176.372 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HD2' ' HB2' ' A' ' 35' ' ' ASP . 55.3 Cg_endo -69.84 49.19 0.71 Allowed 'Trans proline' 0 C--N 1.348 0.523 0 C-N-CA 122.993 2.462 . . . . 20.0 113.431 -177.8 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.579 ' N ' ' HD2' ' A' ' 38' ' ' PRO . 65.2 ttt180 -71.17 -47.57 13.93 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.595 . . . . 20.0 111.546 175.455 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.579 ' HD2' ' N ' ' A' ' 37' ' ' ARG . 8.9 Cg_endo -50.85 112.95 0.88 Allowed 'Trans proline' 0 C--N 1.363 1.306 0 C-N-CA 122.42 2.08 . . . . 20.0 111.444 175.272 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -87.6 122.49 31.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.797 -0.638 . . . . 20.0 112.083 -171.305 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.517 ' HB ' ' HD2' ' A' ' 41' ' ' PRO . 17.0 pt -86.63 165.62 31.77 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-N 115.549 -0.75 . . . . 20.0 109.555 173.674 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.517 ' HD2' ' HB ' ' A' ' 40' ' ' ILE . 41.0 Cg_exo -37.66 135.77 0.48 Allowed 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.118 2.545 . . . . 20.0 113.076 176.98 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -61.96 -28.57 69.64 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.719 -0.673 . . . . 20.0 111.861 -171.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -67.25 -25.8 66.25 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.19 0.519 . . . . 20.0 110.708 -179.661 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.4 mm-40 -81.87 -45.68 15.15 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.833 -0.621 . . . . 20.0 110.151 178.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -61.42 -53.11 53.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.524 -0.762 . . . . 20.0 111.379 -176.337 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -64.07 -27.06 68.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.897 -0.592 . . . . 20.0 111.598 -176.507 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.3 ttp-105 -76.84 -29.11 55.76 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.086 0.47 . . . . 20.0 110.87 -177.217 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.672 ' HA ' ' NE ' ' A' ' 48' ' ' ARG . 2.4 mmp_? -90.62 -29.82 17.55 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.469 -0.332 . . . . 20.0 111.586 -179.32 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.4 mtt -82.31 -19.2 39.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.569 -0.287 . . . . 20.0 111.662 -179.752 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -48.72 -58.72 4.34 Favored 'General case' 0 C--N 1.329 -0.292 0 O-C-N 123.353 0.408 . . . . 20.0 112.004 -178.092 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -71.52 -29.27 64.59 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.219 -0.446 . . . . 20.0 111.518 -177.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -69.39 -32.77 72.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.932 0.396 . . . . 20.0 110.377 -179.334 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -64.5 -30.67 71.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.336 178.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.14 -40.25 82.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.902 -0.59 . . . . 20.0 110.513 177.206 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -71.49 -32.24 68.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.289 177.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 49.1 ttm -62.06 -26.47 68.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.699 -0.682 . . . . 20.0 110.658 178.436 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.9 mtp180 -64.05 -29.24 70.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.563 177.119 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -84.16 -20.59 32.18 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.302 0.572 . . . . 20.0 109.99 178.308 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -77.51 -10.43 59.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.655 -0.702 . . . . 20.0 111.088 -178.209 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -137.95 45.33 2.13 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.053 -0.521 . . . . 20.0 110.605 178.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 31.0 t -125.63 143.55 50.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.157 -0.474 . . . . 20.0 110.637 -179.122 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -100.23 99.07 9.7 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.903 -0.406 . . . . 20.0 109.903 175.702 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 . . . . . 0 C--O 1.245 0.823 0 CA-C-O 118.428 -0.796 . . . . 20.0 109.994 179.339 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 95.5 mmm . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.256 0.074 . . . . 20.0 111.006 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 55.21 47.68 21.11 Favored 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.298 0.374 . . . . 20.0 110.342 -176.93 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 63.5 t80 65.2 -82.66 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.379 -0.828 . . . . 20.0 110.362 -175.142 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -157.4 23.62 0.29 Allowed 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.379 -0.971 . . . . 20.0 108.379 175.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -119.67 48.32 1.55 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.904 -1.044 . . . . 20.0 110.186 -177.769 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -77.35 -43.99 30.99 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.515 -0.766 . . . . 20.0 109.508 176.606 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . 0.479 ' HB3' ' HB3' ' A' ' 2' ' ' ASN . 57.9 m-20 -104.03 72.25 1.08 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.547 -0.751 . . . . 20.0 109.656 173.368 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . 0.405 ' OD2' ' HG3' ' A' ' 1' ' ' LYS . 7.6 p-10 -69.01 -30.42 68.81 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.925 -0.58 . . . . 20.0 111.07 -177.371 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.405 ' HG3' ' OD2' ' A' ' 0' ' ' ASP . 46.5 mttp -94.23 -47.59 6.56 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.602 179.773 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.479 ' HB3' ' HB3' ' A' ' -1' ' ' ASP . 8.4 p30 40.9 48.11 2.7 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.478 0.711 . . . . 20.0 112.369 179.211 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 30.3 tpt180 -152.89 -24.29 0.16 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.05 -0.523 . . . . 20.0 111.226 -177.516 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 70.78 -56.83 0.61 Allowed 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.713 0.805 . . . . 20.0 111.951 -179.125 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.2 tp 54.71 71.79 0.51 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.323 0.583 . . . . 20.0 111.221 178.304 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 p -67.87 141.29 94.51 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 115.723 -0.671 . . . . 20.0 110.603 177.584 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.37 55.9 4.29 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 123.121 2.547 . . . . 20.0 113.139 -178.288 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 42.07 -160.6 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.414 1.085 . . . . 20.0 112.699 179.442 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.7 t -91.66 104.66 15.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 109.558 -0.534 . . . . 20.0 109.558 175.059 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.8 m -85.65 50.78 2.03 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.198 0.523 . . . . 20.0 110.837 -176.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -129.17 148.48 51.11 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.91 -0.587 . . . . 20.0 109.749 179.628 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -123.45 113.09 18.31 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.257 -0.429 . . . . 20.0 110.388 -177.687 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -117.1 -84.4 0.64 Allowed 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 109.972 -0.381 . . . . 20.0 109.972 176.184 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.3 p 40.5 67.75 0.47 Allowed 'General case' 0 N--CA 1.466 0.341 0 O-C-N 123.65 0.593 . . . . 20.0 112.094 -178.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.5 mm 61.9 66.83 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-O 121.463 0.649 . . . . 20.0 110.498 -178.989 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -79.86 -39.73 29.96 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.918 -176.981 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -58.64 -36.01 73.41 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.272 -0.422 . . . . 20.0 111.609 -173.072 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -71.94 -45.77 59.93 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.999 0.428 . . . . 20.0 110.542 -178.091 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -72.09 -30.66 65.32 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.694 -178.616 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.488 ' HA ' ' HB3' ' A' ' 24' ' ' TRP . 34.6 t -70.54 -20.59 62.8 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.699 -179.973 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -81.26 -32.8 33.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.292 -0.413 . . . . 20.0 110.52 179.915 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -90.83 -56.32 3.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.306 -0.406 . . . . 20.0 111.612 -179.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -89.99 -56.44 3.23 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.349 -0.387 . . . . 20.0 111.527 -170.813 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.488 ' HB3' ' HA ' ' A' ' 20' ' ' SER . 70.1 t-105 -65.43 -19.25 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.473 -0.331 . . . . 20.0 111.045 -174.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.6 tp -53.9 -35.7 61.91 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.051 0.453 . . . . 20.0 110.309 176.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -75.19 -27.46 59.62 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.56 -0.745 . . . . 20.0 110.881 -178.014 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.15 -24.0 23.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.248 0.546 . . . . 20.0 110.735 179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.4 tttp -72.24 -17.95 61.86 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.546 -178.407 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -71.01 -21.22 22.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.466 0.65 . . . . 20.0 110.132 176.982 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 63.24 27.28 15.47 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 114.881 -1.054 . . . . 20.0 112.018 177.14 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 28.2 m -60.4 -36.68 78.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 20.0 110.99 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.7 m -116.41 31.05 6.97 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.967 -0.561 . . . . 20.0 109.962 179.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.2 tp -127.08 94.34 3.99 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.363 -178.382 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.24 123.14 48.32 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.796 -0.638 . . . . 20.0 110.252 177.806 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -72.31 120.6 81.33 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.265 -0.425 . . . . 20.0 110.536 -179.322 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_exo -69.24 90.4 0.46 Allowed 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.403 2.069 . . . . 20.0 111.141 175.725 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -67.84 123.88 88.1 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.959 -0.564 . . . . 20.0 109.583 178.917 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -60.65 114.3 2.08 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.628 2.219 . . . . 20.0 112.321 -176.591 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.74 156.63 18.4 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.552 -0.749 . . . . 20.0 110.216 179.314 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.7 mt -58.92 119.09 34.67 Favored Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 116.03 -0.532 . . . . 20.0 109.932 176.657 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.97 128.79 25.21 Favored 'Trans proline' 0 C--O 1.235 0.375 0 C-N-CA 122.336 2.024 . . . . 20.0 111.349 -178.32 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 55.0 t-80 -61.81 -24.86 67.14 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.295 -0.411 . . . . 20.0 110.661 -176.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -60.56 -36.57 78.79 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.197 -0.456 . . . . 20.0 110.848 177.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.92 -28.75 63.68 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.268 0.556 . . . . 20.0 110.119 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 62.1 t -76.76 -51.46 19.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.428 -0.806 . . . . 20.0 110.421 179.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 12.0 pt-20 -70.33 -19.06 63.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 20.0 111.448 -177.041 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 4.1 tmt_? -57.19 -33.23 67.27 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.493 -0.558 . . . . 20.0 109.493 174.306 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.7 mtp180 -62.54 -44.94 95.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.231 177.577 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.466 ' SD ' ' HA ' ' A' ' 46' ' ' GLU . 1.8 mpt? -66.07 -31.98 73.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 20.0 110.723 -178.95 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.95 -49.36 75.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.731 176.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -75.07 -20.27 59.6 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.085 -0.507 . . . . 20.0 110.559 179.566 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -67.97 -39.61 83.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.409 -0.814 . . . . 20.0 110.043 175.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -72.76 -26.44 61.55 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.405 0.622 . . . . 20.0 109.929 177.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.6 -1.53 31.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.447 -0.797 . . . . 20.0 110.892 178.104 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' HG3' ' HG3' ' A' ' 59' ' ' GLU . 8.0 ttpm? -61.69 -25.7 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.08 -0.509 . . . . 20.0 110.636 177.273 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 33.4 mmt -69.23 -15.57 63.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.022 -0.535 . . . . 20.0 111.524 -178.871 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -61.42 -43.64 98.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.083 0.468 . . . . 20.0 110.234 177.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -138.91 -142.72 0.16 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.775 -0.648 . . . . 20.0 109.735 -179.498 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' HG3' ' HG3' ' A' ' 55' ' ' LYS . 14.3 mm-40 66.09 176.65 0.22 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.652 0.739 . . . . 20.0 112.135 175.28 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 92.1 mtt180 -127.33 14.01 7.15 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.249 -0.887 . . . . 20.0 109.747 179.005 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.2 m -102.01 86.69 2.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.509 -0.769 . . . . 20.0 110.967 -176.909 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -85.12 135.94 33.76 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.809 -0.441 . . . . 20.0 109.809 177.163 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.6 mt-30 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.507 -0.758 . . . . 20.0 109.939 -179.588 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 121.007 0.432 . . . . 20.0 110.614 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -120.51 168.21 11.58 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.382 -179.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 82.2 t80 -160.8 130.65 5.02 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.481 -0.563 . . . . 20.0 109.481 179.842 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 63.8 tttp 66.26 104.32 0.04 OUTLIER 'General case' 0 C--O 1.234 0.268 0 O-C-N 123.978 0.799 . . . . 20.0 110.894 -178.826 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -66.95 128.99 38.41 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.261 -0.644 . . . . 20.0 109.261 176.284 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -130.68 -66.87 0.74 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.994 0.426 . . . . 20.0 111.313 -173.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -81.46 94.9 6.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.964 -0.562 . . . . 20.0 109.833 -178.136 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -79.67 -10.95 59.87 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.623 -0.717 . . . . 20.0 110.739 -175.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 47.0 mmtm -90.96 -17.48 26.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.92 -0.582 . . . . 20.0 110.272 -179.198 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 37.4 m-80 68.99 -79.42 0.04 OUTLIER 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.435 -0.802 . . . . 20.0 111.284 175.697 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -135.64 72.3 1.44 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.887 0.375 . . . . 20.0 110.172 179.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 56.5 61.6 2.62 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.557 -0.747 . . . . 20.0 111.361 178.165 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.484 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 3.0 tm? -75.34 -36.67 60.98 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.001 -0.545 . . . . 20.0 110.114 -179.21 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 m -129.22 99.66 21.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.446 -0.343 . . . . 20.0 111.151 -174.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.96 -48.56 17.76 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.77 2.313 . . . . 20.0 111.377 174.923 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 61.7 mtt 71.15 147.25 0.07 Allowed 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.612 0.72 . . . . 20.0 112.447 174.736 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 t -102.38 68.13 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.499 -0.773 . . . . 20.0 109.53 177.625 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.4 p -78.89 45.78 0.63 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.642 -0.708 . . . . 20.0 111.187 -177.553 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -105.18 -7.32 19.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.679 -0.692 . . . . 20.0 110.507 -176.453 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -79.64 71.97 6.29 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.849 -0.614 . . . . 20.0 110.574 179.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.418 ' C ' ' H ' ' A' ' 15' ' ' ILE . 35.0 mt-10 -69.31 163.49 24.98 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.214 -0.903 . . . . 20.0 110.557 -179.601 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -75.36 39.84 0.16 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.357 0.599 . . . . 20.0 112.534 -178.054 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.418 ' H ' ' C ' ' A' ' 13' ' ' GLU . 86.7 mt -145.77 -44.36 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 N-CA-C 107.388 -1.338 . . . . 20.0 107.388 173.796 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -64.47 -38.83 92.37 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.189 -1.369 . . . . 20.0 111.366 178.828 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -57.68 -43.79 85.34 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.68 0.276 . . . . 20.0 111.362 -177.673 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.482 ' HA ' ' CE2' ' A' ' 21' ' ' TYR . 31.3 tt0 -66.59 -42.43 86.94 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.332 0.587 . . . . 20.0 110.315 179.76 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -67.22 -26.06 66.42 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.951 -179.52 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.9 m -61.49 -29.81 70.21 Favored 'General case' 0 C--O 1.225 -0.204 0 CA-C-N 116.015 -0.539 . . . . 20.0 111.881 -175.804 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.482 ' CE2' ' HA ' ' A' ' 18' ' ' GLU . 52.2 p90 -104.93 -33.5 8.34 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.164 -0.614 . . . . 20.0 111.25 177.498 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 62.8 m-20 -66.53 -61.52 1.94 Allowed 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.982 -0.287 . . . . 20.0 111.703 -178.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' OE1' ' HA ' ' A' ' 23' ' ' GLU . 4.4 mm-40 -68.27 -34.35 76.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.588 0.232 . . . . 20.0 111.171 -176.744 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.86 -56.88 15.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.061 -0.518 . . . . 20.0 110.117 179.007 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.4 tp -64.03 -42.8 96.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.823 -0.626 . . . . 20.0 110.349 -179.003 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -60.77 -33.69 73.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.908 -0.587 . . . . 20.0 111.04 -178.384 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.523 ' O ' HG23 ' A' ' 31' ' ' THR . . . -64.14 -41.84 97.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.807 0.337 . . . . 20.0 111.338 -179.573 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -78.2 -33.22 50.12 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.737 -179.741 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 75.2 t -70.03 -51.9 35.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.411 -0.359 . . . . 20.0 111.114 178.462 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -155.78 101.7 2.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.763 0.316 . . . . 20.0 111.167 -177.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.523 HG23 ' O ' ' A' ' 27' ' ' ALA . 0.2 OUTLIER -75.99 92.66 3.17 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.431 -0.35 . . . . 20.0 110.681 176.828 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.2 t 71.01 138.56 0.04 OUTLIER 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.686 -0.688 . . . . 20.0 111.173 -178.542 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.7 mt -93.64 -5.42 48.73 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.996 -0.547 . . . . 20.0 110.158 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -99.11 134.09 42.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.633 -0.712 . . . . 20.0 110.1 177.486 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 35.4 m-20 -79.3 121.69 83.25 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.518 -0.31 . . . . 20.0 110.876 -177.646 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 15.1 Cg_exo -69.48 66.93 1.6 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.093 2.528 . . . . 20.0 112.269 176.27 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HB2' ' HD3' ' A' ' 38' ' ' PRO . 22.6 mmm180 -96.37 -46.55 0.25 Allowed Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.747 -0.661 . . . . 20.0 111.723 177.848 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.493 ' HD3' ' HB2' ' A' ' 37' ' ' ARG . 17.3 Cg_exo -67.14 148.74 81.52 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.648 1.565 . . . . 20.0 111.275 174.449 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 67.68 -170.83 0.19 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.774 0.671 . . . . 20.0 111.372 -179.079 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.406 HG12 ' H ' ' A' ' 40' ' ' ILE . 9.1 pt -71.77 126.54 91.45 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.107 0.48 . . . . 20.0 111.75 -179.791 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -76.14 149.49 32.27 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.621 2.214 . . . . 20.0 111.04 176.283 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.2 p-80 -62.29 -19.83 63.68 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.05 0.389 . . . . 20.0 112.05 -174.325 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -71.13 -41.59 70.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.63 0.253 . . . . 20.0 110.659 177.424 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -72.4 -29.34 63.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.067 0.461 . . . . 20.0 110.088 179.631 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.47 ' O ' ' HB2' ' A' ' 49' ' ' MET . 90.4 t -62.97 -47.67 91.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 115.976 -0.557 . . . . 20.0 110.367 176.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 50' ' ' ALA . 40.7 mt-10 -76.44 -19.65 57.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.368 -0.378 . . . . 20.0 111.581 -179.461 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.1 tpt180 -85.19 -67.92 0.76 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.973 0.416 . . . . 20.0 111.197 176.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -83.5 -47.97 10.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 20.0 111.44 -172.832 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.47 ' HB2' ' O ' ' A' ' 45' ' ' VAL . 95.4 mmm -72.92 -17.56 61.49 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.35 -0.386 . . . . 20.0 111.74 -174.26 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.495 ' HB2' ' O ' ' A' ' 46' ' ' GLU . . . -47.32 -40.89 18.15 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.675 0.62 . . . . 20.0 112.675 -178.781 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -66.84 -29.9 69.94 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.122 0.487 . . . . 20.0 110.933 -177.869 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -91.12 -26.95 18.86 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.923 -0.58 . . . . 20.0 110.383 179.965 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -64.02 -27.52 69.17 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.711 . . . . 20.0 110.237 178.54 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.73 -21.47 65.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.8 176.257 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.5 mtpt -87.8 -36.17 17.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.302 177.086 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 48.6 tpp -78.43 -36.78 45.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.025 -0.534 . . . . 20.0 111.229 -177.154 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HA ' ' NE ' ' A' ' 57' ' ' ARG . 6.2 tpm_? -79.43 -10.15 59.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.26 0.552 . . . . 20.0 110.314 -179.401 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' A' ' 58' ' ' LYS . 3.4 ttmp? -76.72 122.95 25.44 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.708 -0.678 . . . . 20.0 110.088 178.435 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -72.06 154.94 40.82 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.989 -0.551 . . . . 20.0 110.157 -178.884 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 62.9 mtm180 -67.08 91.69 0.22 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.616 -0.72 . . . . 20.0 111.983 -174.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.4 t -102.79 -22.58 13.88 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.24 -0.652 . . . . 20.0 109.24 175.266 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.36 115.13 27.29 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.106 -0.701 . . . . 20.0 109.106 178.453 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 C--O 1.243 0.726 0 CA-C-O 118.737 -0.649 . . . . 20.0 109.889 177.087 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 56.1 ttp . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 120.459 0.171 . . . . 20.0 110.909 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.46 -74.97 0.6 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.652 0.263 . . . . 20.0 111.354 -178.316 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -140.92 79.62 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.535 -0.302 . . . . 20.0 111.335 -174.541 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -128.41 2.05 5.66 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.711 0.291 . . . . 20.0 110.88 177.705 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -78.67 -43.42 26.06 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.448 -0.342 . . . . 20.0 110.699 -177.738 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -109.26 -68.2 0.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.789 0.328 . . . . 20.0 110.778 175.935 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -167.54 -174.42 2.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.424 -0.353 . . . . 20.0 110.885 -178.792 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -64.74 -44.24 90.77 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.993 -0.549 . . . . 20.0 111.74 -177.036 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 29.4 mtpp -80.49 -36.01 33.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.606 -0.27 . . . . 20.0 110.671 -176.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 74.07 -40.93 0.47 Allowed 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.851 0.72 . . . . 20.0 112.327 174.768 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -133.52 39.52 3.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.714 0.292 . . . . 20.0 111.126 -177.019 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.36 -50.09 74.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 20.0 111.097 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.9 mp -96.62 81.89 3.26 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.191 -0.459 . . . . 20.0 109.766 178.542 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -68.93 135.6 89.75 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.017 -0.538 . . . . 20.0 110.445 179.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.03 84.56 1.07 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.781 2.321 . . . . 20.0 112.393 -179.074 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.8 ttt -91.45 55.79 2.88 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.538 0.685 . . . . 20.0 109.797 -179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.6 p -87.1 -8.06 10.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.606 -0.725 . . . . 20.0 110.502 -178.209 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 t -119.97 173.47 7.05 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.723 -0.671 . . . . 20.0 110.002 -178.85 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -57.87 -39.43 77.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.18 0.514 . . . . 20.0 109.898 177.15 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 38.3 p90 -99.0 134.06 42.37 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 115.565 -0.743 . . . . 20.0 109.968 177.059 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -83.72 -6.47 59.44 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.689 0.756 . . . . 20.0 109.921 177.522 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 17.0 p -86.71 65.73 9.14 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.461 -0.791 . . . . 20.0 111.88 -176.149 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.2 mt -75.08 -32.49 26.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.426 0.632 . . . . 20.0 109.653 176.277 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -64.24 -12.31 39.83 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 115.323 -0.853 . . . . 20.0 110.701 178.864 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -37.32 81.36 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.471 0.653 . . . . 20.0 109.445 175.77 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.432 ' O ' ' HD2' ' A' ' 21' ' ' TYR . 35.8 mt-10 -73.98 -16.1 61.08 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.39 0.614 . . . . 20.0 110.283 -178.94 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -85.83 -17.03 36.82 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.491 -0.777 . . . . 20.0 109.456 176.577 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 m -65.92 -19.57 65.92 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.862 -0.608 . . . . 20.0 111.16 -179.031 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.432 ' HD2' ' O ' ' A' ' 18' ' ' GLU . 97.5 m-85 -64.16 -27.95 69.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.155 0.502 . . . . 20.0 109.904 175.779 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -73.47 -34.03 65.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.79 -0.641 . . . . 20.0 109.884 175.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -71.13 -44.45 65.56 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.558 -0.746 . . . . 20.0 109.696 179.68 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 31.6 m0 -67.25 -17.69 64.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.652 -0.703 . . . . 20.0 111.148 178.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.8 tt -57.64 -41.92 82.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.56 -0.291 . . . . 20.0 110.301 178.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.463 ' H ' ' HD2' ' A' ' 26' ' ' ARG . 3.0 mpt_? -68.9 -28.84 67.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.318 0.58 . . . . 20.0 109.724 179.314 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.93 -0.07 26.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.469 -0.787 . . . . 20.0 111.347 -178.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -87.04 -25.08 24.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.062 0.458 . . . . 20.0 109.941 175.84 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.4 p -100.14 -17.79 6.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.249 0.547 . . . . 20.0 110.147 177.395 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.94 148.97 31.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.741 -178.749 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.3 m 59.96 48.0 9.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.429 0.633 . . . . 20.0 110.923 177.706 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.4 m -80.29 78.16 6.98 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.009 -0.541 . . . . 20.0 110.515 179.842 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.05 29.6 7.35 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.089 -0.505 . . . . 20.0 110.532 -179.068 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 66.16 109.7 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.217 0 O-C-N 124.113 0.883 . . . . 20.0 111.695 179.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.56 127.16 65.77 Favored Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.887 176.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -78.36 1.28 9.15 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.534 2.156 . . . . 20.0 111.628 175.736 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ptt180 -103.32 124.99 36.3 Favored Pre-proline 0 C--N 1.326 -0.436 0 CA-C-N 115.723 -0.671 . . . . 20.0 110.675 -178.508 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -74.35 130.26 13.8 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.177 1.918 . . . . 20.0 111.529 174.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -89.53 122.41 32.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.218 -0.446 . . . . 20.0 110.657 -177.435 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.4 mt -88.98 118.16 68.96 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 116.183 -0.462 . . . . 20.0 110.788 -179.343 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -57.59 118.65 5.56 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 122.399 2.066 . . . . 20.0 110.905 173.232 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 -87.13 -30.56 20.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 111.92 0.341 . . . . 20.0 111.92 -172.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.672 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 28.5 t70 -63.87 -42.34 97.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.8 0.333 . . . . 20.0 110.221 -178.924 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -56.16 -43.45 78.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.8 -0.637 . . . . 20.0 111.229 178.182 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.3 t -69.87 -42.15 79.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.081 -0.509 . . . . 20.0 110.46 -178.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -60.72 -35.43 76.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.721 -0.672 . . . . 20.0 110.447 179.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 25.6 mmt180 -58.84 -45.35 90.27 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.303 -0.408 . . . . 20.0 110.922 179.361 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -64.4 -38.04 89.62 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.974 0.416 . . . . 20.0 110.895 -179.862 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.7 mtt -69.84 -41.47 74.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.237 179.045 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.1 -35.41 75.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.609 -0.723 . . . . 20.0 111.251 179.37 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.536 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 43.1 mt-10 -63.24 -26.38 68.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.048 -179.547 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -78.35 -47.18 18.25 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.218 -0.446 . . . . 20.0 109.942 176.813 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.485 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 36.5 m-85 -67.05 -34.45 77.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.539 . . . . 20.0 111.029 -179.05 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.66 -40.67 92.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.369 -0.378 . . . . 20.0 111.173 179.49 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.7 ttmt -68.12 -26.04 65.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.216 0.531 . . . . 20.0 110.307 179.492 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 53.8 ttp -70.3 -17.49 63.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.64 -0.709 . . . . 20.0 110.665 -179.895 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 53' ' ' PHE . 2.8 mpt_? -84.29 10.67 9.91 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.334 176.108 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt 68.62 102.44 0.05 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.352 -0.84 . . . . 20.0 111.367 179.172 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 70.41 159.41 0.19 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.416 -0.811 . . . . 20.0 112.061 179.93 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 64.0 mtm180 -120.94 2.56 10.5 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.539 -0.755 . . . . 20.0 110.543 -176.871 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 10.5 t 60.22 40.65 17.74 Favored 'General case' 0 CA--C 1.528 0.099 0 CA-C-N 115.294 -0.867 . . . . 20.0 110.196 -179.032 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -121.38 143.72 49.06 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.832 -0.622 . . . . 20.0 110.198 -179.658 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 . . . . . 0 C--O 1.252 1.193 0 CA-C-O 118.391 -0.814 . . . . 20.0 109.649 175.844 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 46.1 ttp . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.787 0.327 . . . . 20.0 110.961 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -85.63 135.57 33.73 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.211 -0.292 . . . . 20.0 110.211 -179.754 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -119.82 161.61 20.51 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.493 179.026 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 97.2 mttt 64.05 26.37 14.01 Favored 'General case' 0 N--CA 1.466 0.371 0 O-C-N 123.835 0.709 . . . . 20.0 110.516 -179.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -164.08 152.5 13.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.248 -0.887 . . . . 20.0 109.026 179.443 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -110.49 4.45 20.47 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.099 0.407 . . . . 20.0 112.099 -175.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -105.45 100.34 9.92 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.645 -0.502 . . . . 20.0 109.645 177.464 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -82.44 0.32 42.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.627 -0.715 . . . . 20.0 110.933 -175.436 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -91.23 -21.13 21.26 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.012 -0.54 . . . . 20.0 111.17 179.322 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.1 m120 64.12 24.06 13.37 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.542 -0.753 . . . . 20.0 110.045 -176.825 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 68.8 mtp180 -119.02 13.87 13.08 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.976 -0.556 . . . . 20.0 111.13 -172.62 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.98 -33.58 63.91 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.368 0.604 . . . . 20.0 109.791 175.13 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -118.71 158.15 26.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.247 -0.888 . . . . 20.0 108.839 175.879 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m 73.76 132.21 0.04 OUTLIER Pre-proline 0 C--O 1.236 0.35 0 O-C-N 123.91 0.756 . . . . 20.0 111.298 178.859 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -69.67 138.65 38.6 Favored 'Trans proline' 0 N--CA 1.461 -0.391 0 C-N-CA 122.423 2.082 . . . . 20.0 111.221 177.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.7 ttp -79.33 68.51 5.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.466 0.65 . . . . 20.0 110.428 -177.3 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.9 m -91.11 22.2 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.745 -0.661 . . . . 20.0 110.563 178.666 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.4 p -81.05 58.57 3.51 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.554 -0.748 . . . . 20.0 110.777 -179.235 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -95.36 21.58 7.89 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.661 0.743 . . . . 20.0 110.458 179.773 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -84.81 164.32 18.55 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.847 -1.069 . . . . 20.0 109.772 177.783 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -85.91 26.05 1.04 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.046 0.451 . . . . 20.0 110.779 178.437 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.1 p -115.0 34.04 5.07 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.992 -0.549 . . . . 20.0 111.284 -178.908 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.0 mt -82.8 -52.34 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 20.0 109.655 179.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -61.42 -44.32 97.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.314 -0.857 . . . . 20.0 110.147 177.59 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -61.28 -37.11 81.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.488 -0.778 . . . . 20.0 110.903 179.602 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -65.87 -38.39 88.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.949 0.404 . . . . 20.0 110.292 -178.984 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -68.01 -31.36 70.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.756 -179.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.7 m -71.52 -37.8 71.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.158 0.504 . . . . 20.0 109.807 175.289 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.509 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 83.6 t80 -67.34 -36.1 80.73 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.693 -0.685 . . . . 20.0 110.027 178.355 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.404 ' HA ' HD12 ' A' ' 25' ' ' LEU . 25.2 t-20 -58.81 -33.68 70.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.451 -0.795 . . . . 20.0 111.192 178.713 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -65.77 -34.46 78.22 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.307 -0.406 . . . . 20.0 110.751 -179.552 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.509 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 16.7 m0 -76.66 -22.55 53.9 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.141 -0.482 . . . . 20.0 110.796 -179.708 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 22' ' ' ASN . 91.5 mt -66.37 -22.04 66.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.944 0.402 . . . . 20.0 110.956 -179.858 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -65.3 -19.85 66.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 20.0 110.739 178.289 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -89.99 -15.37 32.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.178 -0.464 . . . . 20.0 111.196 -179.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -74.43 -34.76 63.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 20.0 110.708 -176.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.91 -10.6 13.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.352 0.596 . . . . 20.0 110.516 178.992 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -81.34 62.21 5.15 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.299 0.571 . . . . 20.0 110.598 -179.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 21.2 m -110.85 141.5 44.14 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.743 -0.662 . . . . 20.0 110.162 179.03 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.0 m 59.62 71.42 0.58 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.103 0.478 . . . . 20.0 110.761 177.741 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD22 ' N ' ' A' ' 33' ' ' LEU . 2.6 mm? -85.83 120.81 27.65 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.011 -0.541 . . . . 20.0 110.188 -178.608 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -121.04 82.26 1.9 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.123 -0.49 . . . . 20.0 109.875 177.111 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -75.08 127.17 87.14 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.739 -0.664 . . . . 20.0 110.654 -178.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.03 46.58 2.23 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 123.018 2.479 . . . . 20.0 112.096 178.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.476 ' H ' ' HD2' ' A' ' 38' ' ' PRO . 98.5 mtt180 -89.36 -52.08 0.35 Allowed Pre-proline 0 C--N 1.322 -0.609 0 CA-C-N 115.477 -0.783 . . . . 20.0 110.97 179.202 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HD2' ' H ' ' A' ' 37' ' ' ARG . 53.3 Cg_endo -70.28 142.43 45.61 Favored 'Trans proline' 0 C--N 1.353 0.771 0 C-N-CA 121.714 1.61 . . . . 20.0 111.632 174.745 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.56 133.97 51.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.091 -0.504 . . . . 20.0 110.265 179.343 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.467 ' HA ' ' HD3' ' A' ' 41' ' ' PRO . 17.8 pt -67.07 122.84 84.48 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-N 116.28 -0.418 . . . . 20.0 111.194 -177.623 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 40' ' ' ILE . 15.3 Cg_exo -68.23 163.26 36.9 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.993 2.462 . . . . 20.0 111.743 178.76 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.508 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 11.3 p-80 -68.05 -15.66 63.69 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.404 -0.362 . . . . 20.0 110.697 -176.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -68.24 -22.2 64.78 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.381 -0.372 . . . . 20.0 110.906 177.194 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.533 ' O ' ' HG2' ' A' ' 48' ' ' ARG . 10.4 mm-40 -70.96 -40.54 71.9 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.36 -0.607 . . . . 20.0 109.36 174.859 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 57.8 t -63.53 -35.09 71.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.424 -0.807 . . . . 20.0 110.212 177.359 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.508 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 14.7 mm-40 -57.79 -44.38 86.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.661 -0.7 . . . . 20.0 110.959 178.105 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.606 ' HA ' ' HB2' ' A' ' 51' ' ' GLU . 18.2 ptt180 -80.77 -19.18 45.44 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.346 -0.541 . . . . 20.0 111.442 -177.664 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 2.7 mmp_? -60.2 -53.36 58.63 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.72 -0.474 . . . . 20.0 109.72 173.1 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.402 ' HG3' ' N ' ' A' ' 50' ' ' ALA . 22.6 ptp -92.13 -53.73 4.13 Favored 'General case' 0 CA--C 1.536 0.439 0 N-CA-C 113.052 0.76 . . . . 20.0 113.052 -177.449 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 49' ' ' MET . . . -91.87 -65.18 1.03 Allowed 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 113.297 0.851 . . . . 20.0 113.297 -169.649 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.606 ' HB2' ' HA ' ' A' ' 47' ' ' ARG . 28.9 mt-10 -62.45 -17.01 58.44 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 112.104 0.409 . . . . 20.0 112.104 -169.877 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.414 ' HD3' ' O ' ' A' ' 48' ' ' ARG . 34.4 ptt180 -54.22 -27.91 37.67 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.697 0.284 . . . . 20.0 110.713 175.084 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.609 ' O ' ' HG3' ' A' ' 56' ' ' MET . 33.0 t80 -63.39 -44.02 95.92 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 109.983 -0.377 . . . . 20.0 109.983 176.843 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' 58' ' ' LYS . . . -67.14 -37.26 83.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.283 0.564 . . . . 20.0 109.98 175.653 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.7 tttm -60.23 -39.73 87.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.223 -0.898 . . . . 20.0 111.299 179.818 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.609 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 5.5 ppp? -78.28 -21.1 50.29 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.739 0.304 . . . . 20.0 110.943 -179.675 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.609 ' HG3' ' O ' ' A' ' 53' ' ' PHE . 84.6 mtp180 -79.73 -37.09 36.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.373 -0.376 . . . . 20.0 110.69 178.621 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 58.5 pttt -87.97 15.42 7.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 20.0 110.822 177.662 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 63.22 35.38 12.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.428 -0.805 . . . . 20.0 112.484 170.936 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 64.81 115.97 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 O-C-N 123.404 0.44 . . . . 20.0 111.633 178.331 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.0 m -85.38 37.48 0.68 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.218 -0.301 . . . . 20.0 111.668 -177.19 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp 59.88 84.55 0.12 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.835 -0.621 . . . . 20.0 111.626 179.336 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 118.663 -0.684 . . . . 20.0 109.623 176.935 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 67.8 mtt . . . . . 0 N--CA 1.48 1.057 0 CA-C-O 120.803 0.335 . . . . 20.0 110.749 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -133.74 -83.66 0.45 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.937 0.399 . . . . 20.0 110.34 177.605 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . 0.426 ' C ' ' HD2' ' A' ' -4' ' ' LYS . 82.3 t80 -160.11 86.79 0.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.093 -0.503 . . . . 20.0 110.247 177.602 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.541 ' NZ ' ' HB3' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -169.11 92.71 0.27 Allowed 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 121.382 0.611 . . . . 20.0 110.208 175.315 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -120.97 12.54 11.22 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.808 -0.633 . . . . 20.0 109.943 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.54 ' OD2' ' HA ' ' A' ' 2' ' ' ASN . 13.4 t70 -71.94 -36.46 69.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.349 -0.841 . . . . 20.0 110.478 -174.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 29.9 t70 70.12 157.12 0.16 Allowed 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.357 -0.838 . . . . 20.0 110.624 178.228 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -66.54 -6.52 15.3 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-O 120.985 0.422 . . . . 20.0 111.692 -177.251 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -90.84 -4.94 56.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.908 -0.587 . . . . 20.0 110.225 176.849 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.54 ' HA ' ' OD2' ' A' ' -2' ' ' ASP . 3.6 t-20 50.07 55.25 9.73 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 112.314 0.487 . . . . 20.0 112.314 169.328 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 66.24 7.25 4.73 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.221 -0.899 . . . . 20.0 112.524 173.769 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -82.47 50.86 1.72 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.174 0.511 . . . . 20.0 111.505 -176.895 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.2 tp -122.56 11.39 9.87 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.809 0.814 . . . . 20.0 109.013 176.114 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 p -90.17 114.65 61.7 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 114.961 -1.018 . . . . 20.0 110.045 177.249 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.87 -19.58 23.41 Favored 'Trans proline' 0 C--O 1.233 0.225 0 C-N-CA 122.413 2.075 . . . . 20.0 113.224 -176.118 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.7 ttt 59.3 60.04 2.48 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 121.839 0.828 . . . . 20.0 109.469 -176.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.8 p -81.43 133.99 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.364 -0.835 . . . . 20.0 111.222 -175.971 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 p -135.68 44.77 2.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.425 0.631 . . . . 20.0 110.046 176.309 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.6 mm-40 -99.85 -12.59 19.74 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.476 -0.784 . . . . 20.0 111.28 -174.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -64.79 114.29 4.38 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.736 -0.468 . . . . 20.0 109.736 179.102 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -150.04 85.59 1.41 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.081 -0.509 . . . . 20.0 109.705 -177.159 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.425 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 1.3 p -149.36 131.06 15.0 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.269 -0.423 . . . . 20.0 111.096 -178.947 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' HB ' ' O ' ' A' ' 14' ' ' THR . 48.4 mm 77.14 -48.63 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-N 115.705 -0.68 . . . . 20.0 112.326 177.058 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -37.75 83.35 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.792 0.293 . . . . 20.0 111.792 -173.698 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.407 ' HA ' ' HB2' ' A' ' 20' ' ' SER . 15.8 mm100 -67.33 -15.51 63.73 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.044 0.387 . . . . 20.0 112.044 -175.82 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -67.55 -47.66 69.2 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.763 -0.458 . . . . 20.0 109.763 177.434 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -86.49 -29.14 22.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.998 -0.547 . . . . 20.0 110.89 179.139 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.407 ' HB2' ' HA ' ' A' ' 17' ' ' GLN . 19.2 m -70.8 -17.06 62.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.707 -0.224 . . . . 20.0 110.992 179.627 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -66.24 -37.44 85.53 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.541 -0.54 . . . . 20.0 109.541 174.684 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.489 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 2.6 t-20 -61.25 -43.78 98.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.783 -0.644 . . . . 20.0 109.602 175.784 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -64.38 -53.97 40.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.807 -0.633 . . . . 20.0 110.822 177.498 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.462 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 54.5 t90 -61.67 -38.12 86.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 20.0 111.635 -175.764 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.0 tp -60.97 -44.55 97.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.74 0.305 . . . . 20.0 110.998 -177.062 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.489 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 18.3 ptt180 -85.88 -9.85 56.27 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.004 0.43 . . . . 20.0 111.057 179.377 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.92 -6.29 58.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.161 -0.472 . . . . 20.0 110.825 176.233 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 29.3 mtpp -65.43 -17.85 64.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 20.0 111.092 178.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.9 p -80.85 -17.87 12.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.305 0.574 . . . . 20.0 110.354 177.912 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.34 74.85 9.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.281 -178.099 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 t -132.03 24.88 4.6 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.541 -0.754 . . . . 20.0 109.932 179.031 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.0 m -81.15 -15.68 55.13 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.53 -0.759 . . . . 20.0 110.843 -177.523 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 45.3 tp -72.86 -29.59 63.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.123 0.487 . . . . 20.0 110.016 178.202 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -104.93 65.71 0.75 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.936 -0.575 . . . . 20.0 109.667 174.064 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -65.27 134.93 95.91 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.689 -178.002 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -63.64 149.23 91.42 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.141 2.561 . . . . 20.0 112.479 -174.015 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.0 mmt180 -90.18 131.51 38.6 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.915 -0.584 . . . . 20.0 110.106 -179.002 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 64.6 Cg_endo -75.07 47.87 1.87 Allowed 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.697 2.264 . . . . 20.0 111.815 176.586 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -160.45 59.64 0.33 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.135 -0.938 . . . . 20.0 109.61 -178.793 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 58.4 mt -87.22 124.41 68.4 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.435 -0.802 . . . . 20.0 110.368 -177.543 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -77.4 142.14 20.81 Favored 'Trans proline' 0 N--CA 1.458 -0.617 0 C-N-CA 122.375 2.05 . . . . 20.0 111.833 177.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 51.3 m-70 -72.34 -7.61 50.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.205 0.526 . . . . 20.0 110.114 178.184 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.565 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 15.9 m-20 -67.16 -23.08 65.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.421 -0.809 . . . . 20.0 110.166 175.134 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -61.42 -37.72 84.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.683 -0.69 . . . . 20.0 110.4 -179.643 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.6 t -62.71 -42.78 97.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.705 -0.68 . . . . 20.0 110.193 177.767 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -63.45 -37.61 87.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.952 -0.567 . . . . 20.0 110.622 179.136 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 42.1 mtp-105 -62.2 -47.82 82.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.952 0.406 . . . . 20.0 110.397 178.623 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 31.0 mtp180 -71.5 -33.19 69.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.009 -0.541 . . . . 20.0 110.917 -179.654 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 46.4 tpp -68.22 -34.52 76.39 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.182 0.515 . . . . 20.0 109.706 177.775 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.37 -40.53 96.01 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.826 -0.624 . . . . 20.0 110.218 174.378 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -61.21 -46.8 88.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.806 -0.633 . . . . 20.0 110.073 175.919 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -60.58 -49.81 76.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.317 -0.856 . . . . 20.0 110.471 -177.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.33 -40.6 91.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 20.0 111.143 -178.662 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.76 -53.15 36.19 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.986 -0.552 . . . . 20.0 111.742 -176.647 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -80.69 -12.13 59.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.518 -0.31 . . . . 20.0 111.706 -174.583 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.4 ttp -62.7 -43.84 97.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.013 0.435 . . . . 20.0 110.388 177.66 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -97.57 -29.36 13.49 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.772 -0.649 . . . . 20.0 109.937 176.703 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.457 ' HA ' ' HE2' ' A' ' 58' ' ' LYS . 0.4 OUTLIER 72.85 -50.29 0.7 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.846 0.858 . . . . 20.0 111.524 177.126 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -82.74 88.94 6.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.124 0.487 . . . . 20.0 110.687 179.687 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.419 ' O ' ' HB3' ' A' ' 61' ' ' SER . 52.3 mtp180 -78.96 116.88 19.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.706 -0.679 . . . . 20.0 109.836 177.696 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.419 ' HB3' ' O ' ' A' ' 60' ' ' ARG . 41.3 t 70.81 120.6 0.04 OUTLIER 'General case' 0 CA--C 1.53 0.198 0 O-C-N 123.893 0.746 . . . . 20.0 110.884 -178.941 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -70.53 -22.17 62.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.251 179.658 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.625 -0.716 . . . . 20.0 110.607 -178.22 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 17.8 ptp . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 121.381 0.61 . . . . 20.0 110.642 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -98.56 -8.67 26.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.33 0.586 . . . . 20.0 110.519 -178.573 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -94.4 75.03 3.88 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.19 -0.67 . . . . 20.0 109.19 178.44 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.59 ' HA ' ' HB2' ' A' ' 0' ' ' ASP . 69.3 mmtt -134.93 30.46 3.37 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.299 -0.409 . . . . 20.0 111.736 -174.656 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -128.91 -24.69 2.9 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 112.002 0.371 . . . . 20.0 112.002 -176.85 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.24 -67.39 0.46 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.721 0.296 . . . . 20.0 110.903 -178.206 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -115.49 -27.1 7.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.091 0.472 . . . . 20.0 110.735 179.128 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . 0.59 ' HB2' ' HA ' ' A' ' -4' ' ' LYS . 1.9 m-20 -72.41 0.78 9.28 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.804 -0.635 . . . . 20.0 112.26 -173.714 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -85.76 -22.8 27.55 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 120.792 0.33 . . . . 20.0 110.456 179.269 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -73.93 -62.85 1.36 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.299 -0.41 . . . . 20.0 110.237 -178.271 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 60.97 -154.38 0.37 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.62 178.496 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 74.29 -36.28 0.33 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.456 0.702 . . . . 20.0 111.445 -179.554 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -135.26 130.56 35.34 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.759 -0.459 . . . . 20.0 109.759 174.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 t -141.15 83.82 13.44 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 109.488 -0.56 . . . . 20.0 109.488 179.172 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -92.1 19.37 0.99 Allowed 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.014 2.476 . . . . 20.0 112.862 -177.483 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.0 ptm -138.57 42.58 2.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.422 . . . . 20.0 111.017 -178.464 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 48.9 t -73.0 -41.03 59.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.228 -0.442 . . . . 20.0 110.497 -178.013 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.8 t 73.68 -9.42 1.21 Allowed 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 115.556 -0.747 . . . . 20.0 111.763 176.92 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -125.09 158.17 34.49 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.973 0.416 . . . . 20.0 111.151 -177.515 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.519 ' CD2' ' HG3' ' A' ' 13' ' ' GLU . 41.0 t80 -147.8 141.0 25.09 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.475 -0.784 . . . . 20.0 108.936 174.854 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.519 ' HG3' ' CD2' ' A' ' 12' ' ' PHE . 46.7 mt-10 73.98 -40.43 0.46 Allowed 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.417 0.687 . . . . 20.0 112.129 -178.962 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.1 p -71.15 133.56 46.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.069 0.461 . . . . 20.0 111.744 -176.541 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.571 HG22 ' H ' ' A' ' 18' ' ' GLU . 57.8 mt -131.76 91.55 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.868 -0.605 . . . . 20.0 109.968 178.235 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.56 -34.2 70.77 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.95 -0.568 . . . . 20.0 111.08 -178.138 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -60.64 -39.03 86.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.999 -0.546 . . . . 20.0 111.142 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.571 ' H ' HG22 ' A' ' 15' ' ' ILE . 43.3 tt0 -78.13 -29.08 48.64 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.264 0.554 . . . . 20.0 109.932 -179.27 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.12 -25.21 67.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.64 -0.709 . . . . 20.0 111.337 -179.144 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 97.0 p -61.2 -48.16 82.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.859 0.362 . . . . 20.0 110.026 -179.77 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -59.28 -37.83 78.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.221 178.316 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 8.6 t30 -67.11 -43.94 81.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.453 -0.794 . . . . 20.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.3 mm-40 -68.1 -42.85 79.69 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.106 -177.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -67.11 -28.05 67.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.849 0.357 . . . . 20.0 110.855 177.907 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.456 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 58.7 tp -74.13 -36.06 64.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.195 0.521 . . . . 20.0 109.79 176.68 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.483 ' NH1' ' HA ' ' A' ' 30' ' ' ALA . 3.1 tmt_? -74.44 -31.99 62.47 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.779 -0.646 . . . . 20.0 109.798 178.96 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.32 -40.87 92.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.918 -0.583 . . . . 20.0 112.073 -178.188 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -72.72 -20.57 61.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.918 0.39 . . . . 20.0 110.556 -178.832 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 59.6 t -85.62 -63.3 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 20.0 110.024 176.654 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.483 ' HA ' ' NH1' ' A' ' 26' ' ' ARG . . . 49.94 37.73 14.54 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 122.801 0.44 . . . . 20.0 112.062 -179.585 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m 53.18 31.12 10.92 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.538 0.685 . . . . 20.0 111.171 -178.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.6 t -138.76 28.23 2.4 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.359 0.599 . . . . 20.0 109.669 179.334 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.6 tt -154.97 95.84 1.79 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.801 -0.814 . . . . 20.0 108.801 179.107 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -138.74 106.04 5.52 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.04 -0.527 . . . . 20.0 110.855 -178.025 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 33.9 m-20 -70.46 135.47 86.38 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 109.43 -0.581 . . . . 20.0 109.43 177.408 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 14.6 Cg_exo -69.47 -1.04 7.55 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.755 2.303 . . . . 20.0 112.474 -179.191 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 63.1 83.26 0.2 Allowed Pre-proline 0 CA--C 1.529 0.135 0 CA-C-N 115.195 -0.911 . . . . 20.0 111.04 179.739 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.48 112.1 2.28 Favored 'Trans proline' 0 C--O 1.233 0.269 0 C-N-CA 122.58 2.187 . . . . 20.0 111.34 178.439 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.29 81.19 6.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.025 -0.534 . . . . 20.0 111.312 -176.435 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -76.86 120.61 82.41 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 115.656 -0.702 . . . . 20.0 109.465 177.983 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -63.38 127.04 18.98 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.194 1.929 . . . . 20.0 111.742 -177.857 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.453 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 13.9 p-80 -63.88 -21.37 66.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.339 -0.391 . . . . 20.0 110.692 -179.262 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -62.35 -39.72 94.04 Favored 'General case' 0 CA--C 1.519 -0.231 0 CA-C-O 121.09 0.471 . . . . 20.0 110.12 175.275 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -73.69 -37.98 65.04 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.476 -0.784 . . . . 20.0 110.234 -178.648 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.28 -42.1 86.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.245 179.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.453 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 48.8 mt-10 -58.11 -44.5 87.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.206 0.527 . . . . 20.0 110.963 176.818 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 39.0 ttm180 -74.32 -31.37 62.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.548 -177.003 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -74.43 -43.05 57.99 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.747 -0.66 . . . . 20.0 109.973 178.626 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 38.8 tpp -68.68 -24.12 64.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.707 -178.147 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.479 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -57.57 -32.81 67.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 20.0 110.958 176.809 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -76.56 -23.34 53.55 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.975 -0.557 . . . . 20.0 111.039 178.493 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 37.4 mmt180 -81.4 -19.04 43.41 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.133 0.492 . . . . 20.0 109.896 179.322 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.496 ' O ' ' HG2' ' A' ' 56' ' ' MET . 20.9 m-85 -73.6 -9.32 58.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.83 -0.623 . . . . 20.0 111.055 177.614 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -58.43 -15.26 10.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.327 -0.397 . . . . 20.0 112.065 -178.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -63.89 -17.34 63.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 20.0 111.261 178.381 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.496 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 25.2 ptt? -71.31 7.05 1.44 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.156 0.503 . . . . 20.0 111.257 178.927 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -60.77 -28.03 68.42 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.137 -0.69 . . . . 20.0 109.137 171.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -88.15 11.2 16.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.442 -0.799 . . . . 20.0 111.049 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -89.17 -32.8 17.29 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.905 0.383 . . . . 20.0 110.602 -179.1 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -119.27 24.87 10.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.318 -0.401 . . . . 20.0 111.457 -175.308 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.8 m 51.15 54.43 11.2 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.544 -0.753 . . . . 20.0 111.551 178.507 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -88.0 91.24 8.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.223 0.535 . . . . 20.0 110.807 -177.655 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 . . . . . 0 C--O 1.245 0.838 0 CA-C-O 118.384 -0.817 . . . . 20.0 110.558 178.805 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.479 1.018 0 CA-C-O 121.022 0.439 . . . . 20.0 110.862 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -123.88 -171.38 2.31 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.715 -0.476 . . . . 20.0 109.715 177.966 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -70.32 144.91 51.56 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.905 -0.406 . . . . 20.0 109.905 176.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 56.1 mtmt -99.97 126.06 46.08 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.966 -0.383 . . . . 20.0 109.966 177.246 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.1 t0 69.47 123.91 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.392 0 O-C-N 124.282 0.989 . . . . 20.0 110.31 -175.411 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -73.53 -19.71 60.84 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.771 -176.339 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -115.2 50.82 0.95 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.898 -0.592 . . . . 20.0 110.018 -179.406 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -55.01 -19.63 7.37 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.828 0.677 . . . . 20.0 112.828 -173.594 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -64.89 -40.67 95.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.561 0.22 . . . . 20.0 111.582 -179.853 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -133.76 -36.55 0.94 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.694 0.283 . . . . 20.0 111.175 -178.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 72.78 -59.32 0.57 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.176 0.99 . . . . 20.0 111.719 177.163 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -165.87 116.44 1.03 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.566 -0.531 . . . . 20.0 109.566 179.503 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.505 HD11 ' O ' ' A' ' 56' ' ' MET . 31.1 tp -84.43 -28.33 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.284 0.564 . . . . 20.0 109.882 -179.565 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -124.79 74.85 65.0 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 108.336 -0.987 . . . . 20.0 108.336 171.677 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -69.72 -31.08 21.39 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.537 2.158 . . . . 20.0 112.771 -171.21 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.0 mtm 71.23 -44.54 0.59 Allowed 'General case' 0 N--CA 1.468 0.457 0 O-C-N 123.857 0.723 . . . . 20.0 110.776 -177.166 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.3 p -82.11 143.74 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 109.35 -0.611 . . . . 20.0 109.35 172.612 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 m 71.88 135.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.29 0 O-C-N 123.684 0.615 . . . . 20.0 110.704 -177.242 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 65.44 96.41 0.05 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.908 -0.587 . . . . 20.0 111.015 -176.198 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.497 ' H ' HD11 ' A' ' 15' ' ' ILE . 95.6 m-85 -77.88 69.6 4.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.829 -0.623 . . . . 20.0 111.242 179.797 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 59.79 85.59 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.776 -0.647 . . . . 20.0 111.199 178.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p 52.5 84.46 0.05 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.633 -0.712 . . . . 20.0 112.115 179.399 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.497 HD11 ' H ' ' A' ' 12' ' ' PHE . 32.2 mm -59.28 125.04 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.331 -0.85 . . . . 20.0 110.431 177.441 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.68 -24.63 67.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.752 -0.658 . . . . 20.0 111.715 -177.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.486 ' H ' HG22 ' A' ' 15' ' ' ILE . 96.5 mt-30 -65.98 -24.59 66.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.469 -0.332 . . . . 20.0 110.627 178.441 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -70.68 -7.09 42.0 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.358 0.599 . . . . 20.0 110.142 -178.84 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.62 -22.59 65.33 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.93 -0.396 . . . . 20.0 109.93 174.013 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.438 ' O ' ' HD1' ' A' ' 24' ' ' TRP . 14.3 t -70.45 -20.79 62.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 20.0 109.926 178.757 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.477 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 92.4 t80 -59.96 -32.2 70.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.267 176.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -66.02 -30.87 71.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.791 -0.64 . . . . 20.0 110.555 178.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -66.07 -42.13 89.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 20.0 110.045 179.374 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.438 ' HD1' ' O ' ' A' ' 20' ' ' SER . 58.0 m95 -66.82 -25.14 66.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.817 -0.629 . . . . 20.0 110.532 178.444 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 21' ' ' TYR . 84.4 mt -75.81 -47.69 24.7 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.979 -0.555 . . . . 20.0 110.038 176.427 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -65.91 -29.58 70.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.074 -0.512 . . . . 20.0 111.083 -179.425 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -62.98 -39.98 96.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.131 0.491 . . . . 20.0 110.398 175.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mtmm -71.68 -39.05 70.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.615 -0.72 . . . . 20.0 110.83 178.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 25' ' ' LEU . 84.4 t -63.31 -35.41 72.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.011 0.434 . . . . 20.0 111.03 179.333 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.74 -22.66 66.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.483 . . . . 20.0 110.778 178.729 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 17.4 p -109.2 58.94 0.6 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.537 179.036 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.3 p -76.07 77.89 2.92 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.906 -0.588 . . . . 20.0 111.406 -177.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.2 tp -76.03 -29.26 58.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.066 -0.515 . . . . 20.0 109.771 177.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.97 137.2 43.39 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.74 -0.664 . . . . 20.0 110.358 177.942 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -70.77 137.22 85.41 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.377 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -60.84 -17.8 52.77 Favored 'Trans proline' 0 C--N 1.348 0.501 0 C-N-CA 122.81 2.34 . . . . 20.0 112.037 178.343 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.1 tpt180 61.55 104.37 0.03 OUTLIER Pre-proline 0 N--CA 1.464 0.233 0 O-C-N 123.788 0.68 . . . . 20.0 112.022 171.089 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -50.92 140.87 38.02 Favored 'Trans proline' 0 C--O 1.236 0.395 0 C-N-CA 123.023 2.482 . . . . 20.0 112.051 179.337 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 72.23 140.39 0.05 Allowed 'General case' 0 N--CA 1.464 0.265 0 O-C-N 123.999 0.812 . . . . 20.0 111.507 -177.716 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.5 mt 67.17 91.45 0.07 OUTLIER Pre-proline 0 C--O 1.234 0.26 0 CA-C-N 115.41 -0.814 . . . . 20.0 110.833 -176.593 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo -67.25 119.83 6.86 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.955 2.436 . . . . 20.0 111.601 179.116 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -69.75 -28.55 65.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.508 -0.315 . . . . 20.0 110.98 -177.804 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -70.05 -26.97 64.28 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.855 0.359 . . . . 20.0 110.138 -179.52 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -75.22 -33.85 61.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.241 0.544 . . . . 20.0 110.683 176.586 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.439 ' O ' ' HG2' ' A' ' 49' ' ' MET . 60.4 t -74.15 -44.59 49.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.8 -0.636 . . . . 20.0 110.295 179.128 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.47 -42.89 99.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.497 -0.774 . . . . 20.0 111.424 -178.61 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -69.07 -22.42 64.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.371 . . . . 20.0 110.837 -179.404 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 -81.15 -29.64 34.66 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.499 -0.556 . . . . 20.0 109.499 176.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.439 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.3 mmt -66.13 -28.46 68.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.657 -0.701 . . . . 20.0 110.266 175.595 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.37 90.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.728 -0.669 . . . . 20.0 110.767 177.38 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -67.08 -34.13 77.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 20.0 110.467 177.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.43 -33.19 73.78 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.993 -0.548 . . . . 20.0 110.781 178.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -62.08 -32.9 73.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.148 0.499 . . . . 20.0 110.497 177.694 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.9 -33.38 75.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.939 -0.573 . . . . 20.0 110.374 177.351 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -83.67 -22.31 32.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.309 177.083 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.505 ' O ' HD11 ' A' ' 5' ' ' LEU . 1.9 tmt? -65.07 -46.81 79.65 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 20.0 109.547 174.439 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.1 tpp180 -64.88 -42.94 94.4 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.518 -0.549 . . . . 20.0 109.518 176.787 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 57.5 tptt 66.23 114.86 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.932 0.716 . . . . 20.0 112.932 170.597 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 69.24 92.08 0.09 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.817 -1.083 . . . . 20.0 112.073 174.746 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.7 mtm180 -122.29 -178.88 4.0 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.322 -0.622 . . . . 20.0 109.322 174.102 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 54.4 p 47.12 80.98 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.501 0.501 . . . . 20.0 111.034 -176.74 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -55.88 128.06 33.28 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.058 -0.519 . . . . 20.0 111.222 -176.069 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.675 -0.679 . . . . 20.0 109.803 -179.627 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . 0.646 ' HA ' ' O ' ' A' ' -3' ' ' ASP . 71.2 mtm . . . . . 0 N--CA 1.484 1.242 0 CA-C-O 120.69 0.281 . . . . 20.0 111.285 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -57.82 -51.34 70.0 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.006 -0.543 . . . . 20.0 111.57 -175.648 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -89.53 -72.75 0.54 Allowed 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.936 -0.575 . . . . 20.0 110.115 -178.423 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -117.53 160.26 21.52 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.784 -0.644 . . . . 20.0 109.292 179.754 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.646 ' O ' ' HA ' ' A' ' -7' ' ' MET . 38.7 t70 62.39 74.6 0.43 Allowed 'General case' 0 N--CA 1.463 0.177 0 O-C-N 123.555 0.535 . . . . 20.0 110.321 176.68 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -62.36 -60.07 4.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.582 -0.735 . . . . 20.0 111.891 -174.026 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -83.03 102.8 12.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.552 0.692 . . . . 20.0 110.496 179.764 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -82.45 -39.77 22.09 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.56 -0.745 . . . . 20.0 110.255 -179.402 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -82.12 -10.85 59.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.617 -0.719 . . . . 20.0 110.271 -179.126 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.9 m120 64.19 50.13 2.47 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.218 -0.901 . . . . 20.0 110.448 179.967 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 3' ' ' ARG . 42.1 ttp180 -75.59 62.79 1.47 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 121.521 0.677 . . . . 20.0 111.022 -177.416 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -137.97 -50.93 0.6 Allowed 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.468 -0.787 . . . . 20.0 109.023 175.293 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.2 mt -109.7 42.48 1.49 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.369 -0.832 . . . . 20.0 108.87 171.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.36 130.47 94.21 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 114.973 -1.012 . . . . 20.0 111.459 -176.47 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -65.31 131.58 28.75 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.804 2.336 . . . . 20.0 112.082 -179.816 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 ttp 63.81 78.52 0.29 Allowed 'General case' 0 C--N 1.331 -0.197 0 O-C-N 123.782 0.676 . . . . 20.0 110.092 -177.846 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.49 -9.45 12.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.587 -0.733 . . . . 20.0 110.425 -178.544 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 60.7 p 48.89 85.55 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.411 0.684 . . . . 20.0 112.163 174.276 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -88.8 149.53 23.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.837 -0.62 . . . . 20.0 110.292 -179.671 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -138.82 135.41 34.56 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.203 -0.453 . . . . 20.0 110.434 179.961 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 72.43 148.42 0.09 Allowed 'General case' 0 N--CA 1.471 0.585 0 O-C-N 123.783 0.677 . . . . 20.0 112.45 175.445 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.5 p 54.91 22.36 4.25 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.078 0.951 . . . . 20.0 112.781 177.566 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.0 mt -71.24 -42.24 74.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.022 -0.535 . . . . 20.0 110.419 -178.323 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -63.92 -29.18 70.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.096 -0.502 . . . . 20.0 110.604 179.608 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -70.28 -45.03 67.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 20.0 110.239 -179.089 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -64.48 -36.26 83.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.511 179.484 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -68.07 -37.03 80.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.543 -0.299 . . . . 20.0 110.47 176.015 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.9 m -67.96 -21.94 65.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.146 0.498 . . . . 20.0 110.549 178.158 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -85.65 -41.91 14.78 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.93 -0.577 . . . . 20.0 109.872 177.762 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -66.71 -37.39 84.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.046 -0.524 . . . . 20.0 111.195 -179.14 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.79 -34.46 77.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.903 0.382 . . . . 20.0 110.274 179.08 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 39.4 t90 -67.75 -40.48 84.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.989 -0.551 . . . . 20.0 109.993 176.466 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.57 -31.37 72.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.26 0.552 . . . . 20.0 110.425 177.712 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.483 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 45.0 ttp180 -76.58 -29.55 56.65 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.598 -0.728 . . . . 20.0 110.69 179.193 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.62 -31.69 20.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.137 -0.483 . . . . 20.0 111.569 -177.813 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -69.73 -69.56 0.34 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.423 -0.353 . . . . 20.0 110.654 -178.537 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t -99.96 -69.12 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.857 -0.337 . . . . 20.0 110.695 177.365 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.483 ' O ' ' HA ' ' A' ' 26' ' ' ARG . . . -166.4 -47.76 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.078 0.466 . . . . 20.0 110.391 -179.797 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 82.6 m -157.07 -54.67 0.08 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.903 -0.589 . . . . 20.0 109.552 176.384 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.4 m 50.93 45.86 27.04 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.135 0.493 . . . . 20.0 111.773 174.887 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.94 94.1 2.54 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.473 -0.936 . . . . 20.0 108.473 177.499 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.03 -166.17 0.19 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.684 -175.795 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 25.7 m-20 -80.35 143.71 56.44 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-O 120.596 0.236 . . . . 20.0 110.475 178.563 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 24.0 Cg_exo -65.31 -15.18 48.82 Favored 'Trans proline' 0 C--N 1.348 0.503 0 C-N-CA 122.809 2.339 . . . . 20.0 111.287 174.842 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -124.5 76.23 62.78 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.415 -0.811 . . . . 20.0 109.437 174.818 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -79.14 166.84 22.44 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.891 2.394 . . . . 20.0 112.274 -176.018 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.64 126.42 27.27 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.226 177.478 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.9 mt 65.85 99.11 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 O-C-N 123.837 0.711 . . . . 20.0 110.237 -173.189 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_exo -55.43 124.52 16.48 Favored 'Trans proline' 0 C--O 1.234 0.313 0 C-N-CA 122.881 2.387 . . . . 20.0 112.178 -179.041 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 p-80 -65.63 -24.13 66.97 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.348 -0.387 . . . . 20.0 110.475 -178.271 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -70.45 -35.1 73.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.398 178.862 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -66.74 -46.67 74.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.638 -0.71 . . . . 20.0 109.895 178.587 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.6 t -63.16 -49.05 84.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.48 -0.782 . . . . 20.0 110.706 -179.666 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -62.41 -35.85 80.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.215 -0.448 . . . . 20.0 110.887 -176.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.568 ' CZ ' ' HA ' ' A' ' 47' ' ' ARG . 1.3 tpm_? -62.6 -48.97 77.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.959 -0.564 . . . . 20.0 110.153 178.693 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -73.58 -26.56 60.88 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.81 -0.632 . . . . 20.0 110.638 -179.677 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.41 ' HA ' ' HB3' ' A' ' 52' ' ' ARG . 49.4 tpp -64.57 -35.73 81.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.927 -0.578 . . . . 20.0 111.021 -179.449 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.77 -38.07 84.01 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.068 0.461 . . . . 20.0 110.663 178.625 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -85.49 -22.13 28.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.863 -0.608 . . . . 20.0 110.29 178.092 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.41 ' HB3' ' HA ' ' A' ' 49' ' ' MET . 26.0 tpt180 -64.43 -33.79 76.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.635 -0.711 . . . . 20.0 110.056 177.361 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.4 t80 -56.4 -39.71 73.45 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.362 177.462 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.24 -30.64 54.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.013 -0.54 . . . . 20.0 111.124 179.905 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -78.28 -28.18 47.55 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.167 0.508 . . . . 20.0 110.724 -178.492 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 13.5 tpt -89.94 10.0 25.58 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.322 0.582 . . . . 20.0 110.39 -179.808 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 -60.52 -46.09 91.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.295 179.195 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.4 ptmm? -96.83 99.79 11.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.585 0.707 . . . . 20.0 109.859 175.119 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.424 ' CD ' ' HA ' ' A' ' 62' ' ' LYS . 42.4 tt0 -85.65 106.62 17.06 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.468 -0.787 . . . . 20.0 110.516 -176.356 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.21 -0.6 52.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.019 -0.537 . . . . 20.0 110.973 -178.088 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.7 t -167.16 123.51 1.15 Allowed 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.844 -0.798 . . . . 20.0 108.844 178.664 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.424 ' HA ' ' CD ' ' A' ' 59' ' ' GLU . 20.4 tptm -60.3 115.64 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.928 0.394 . . . . 20.0 111.35 -174.75 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 . . . . . 0 C--O 1.245 0.824 0 CA-C-O 118.354 -0.831 . . . . 20.0 110.19 178.812 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 50.7 ttm . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.705 0.288 . . . . 20.0 110.774 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -144.41 104.86 4.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.803 0.335 . . . . 20.0 111.164 -178.416 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -108.36 134.5 51.09 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.507 -0.553 . . . . 20.0 109.507 177.027 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -80.66 81.23 6.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.227 0.537 . . . . 20.0 109.631 -179.485 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.442 ' HB2' ' OD1' ' A' ' 0' ' ' ASP . 8.7 p-10 -96.72 113.69 25.27 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.892 -0.595 . . . . 20.0 109.922 177.274 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -131.45 -62.29 0.88 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.928 0.394 . . . . 20.0 110.593 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -83.76 58.27 4.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 20.0 111.126 -179.129 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . 0.442 ' OD1' ' HB2' ' A' ' -3' ' ' ASP . 5.3 m-20 -90.28 1.34 56.62 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.272 0.558 . . . . 20.0 110.541 177.29 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -64.93 -16.64 63.56 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.408 -0.815 . . . . 20.0 110.883 177.136 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.426 ' OD1' ' HD2' ' A' ' 3' ' ' ARG . 44.6 t-20 69.16 -67.92 0.2 Allowed 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.766 0.826 . . . . 20.0 110.842 -179.383 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.426 ' HD2' ' OD1' ' A' ' 2' ' ' ASN . 15.2 mmm180 -83.12 89.67 6.97 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.869 -0.419 . . . . 20.0 109.869 -177.379 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -81.79 74.54 8.77 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.562 179.886 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.6 mt -87.84 35.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.141 -179.93 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.6 m -66.98 131.65 93.83 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.599 -0.728 . . . . 20.0 110.394 179.118 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -57.0 108.97 0.39 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.751 2.301 . . . . 20.0 112.202 -179.315 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.5 mtm -86.77 138.62 31.45 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.55 -0.537 . . . . 20.0 109.55 177.358 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 m -93.53 143.21 12.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.461 -0.336 . . . . 20.0 110.558 -178.224 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.4 p -97.26 113.41 25.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.255 -0.43 . . . . 20.0 110.124 176.967 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 68.97 -156.08 0.17 Allowed 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.65 -0.705 . . . . 20.0 111.449 178.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -61.29 146.26 48.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.903 0.382 . . . . 20.0 111.5 -176.831 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -94.37 17.11 13.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.215 0.531 . . . . 20.0 110.888 179.332 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.8 p -83.37 7.31 17.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.857 -0.61 . . . . 20.0 111.252 -179.773 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.1 mt -57.54 -41.75 79.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.801 -0.636 . . . . 20.0 110.607 179.523 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -58.89 -42.18 88.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.656 -0.702 . . . . 20.0 110.444 177.327 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -63.25 -43.18 98.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.835 -0.62 . . . . 20.0 110.309 179.68 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.92 -41.48 97.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.945 -0.571 . . . . 20.0 110.468 178.666 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -65.82 -30.09 70.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.982 0.42 . . . . 20.0 110.554 177.259 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.8 m -69.34 -41.25 76.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.099 -0.501 . . . . 20.0 109.936 176.914 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -61.82 -43.27 99.18 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.514 -0.312 . . . . 20.0 110.369 176.921 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -61.1 -35.58 77.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 20.0 110.421 177.127 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 18.0 tp10 -68.11 -37.72 81.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.953 -0.567 . . . . 20.0 110.294 -179.064 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 25.6 m95 -71.4 -33.53 69.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.388 -0.369 . . . . 20.0 110.588 177.008 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.7 tp -64.54 -41.12 96.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.339 0.59 . . . . 20.0 109.462 174.773 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 66.8 ttt180 -61.36 -41.38 96.98 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.167 -0.924 . . . . 20.0 110.427 176.083 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -66.41 -35.08 79.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.844 179.733 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -69.0 -52.09 32.44 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.168 -0.469 . . . . 20.0 110.803 179.137 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.4 p -66.62 -24.04 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.824 0.345 . . . . 20.0 111.476 -175.734 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.68 4.77 41.04 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.881 0.372 . . . . 20.0 111.589 -179.091 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.1 m 53.85 44.52 29.4 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 115.618 -0.719 . . . . 20.0 110.943 179.127 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.7 m -116.64 38.8 3.34 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.913 -0.585 . . . . 20.0 111.159 -175.67 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.73 144.12 33.93 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.3 -0.63 . . . . 20.0 109.3 175.776 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 55.39 56.96 5.81 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-O 121.421 0.629 . . . . 20.0 110.095 -175.39 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -62.52 135.87 95.7 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.258 -0.883 . . . . 20.0 111.45 -175.009 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -76.72 148.19 28.57 Favored 'Trans proline' 0 C--O 1.237 0.438 0 C-N-CA 122.907 2.405 . . . . 20.0 112.27 -179.81 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 31.9 mmm180 52.13 65.91 5.7 Favored Pre-proline 0 N--CA 1.464 0.225 0 CA-C-N 115.62 -0.718 . . . . 20.0 111.09 -179.28 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_endo -64.38 -32.12 61.19 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.518 2.145 . . . . 20.0 112.189 -178.274 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.426 ' O ' ' HD3' ' A' ' 41' ' ' PRO . . . 49.07 70.81 0.43 Allowed 'General case' 0 C--O 1.238 0.467 0 O-C-N 123.825 0.703 . . . . 20.0 111.247 178.923 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 24.7 mt -94.83 109.61 44.89 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-N 115.252 -0.886 . . . . 20.0 110.1 -177.837 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.463 ' O ' HG23 ' A' ' 45' ' ' VAL . 22.4 Cg_exo -61.13 159.16 31.36 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 122.859 2.373 . . . . 20.0 112.436 178.828 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.523 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 14.5 t-80 -56.23 -43.74 78.91 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.387 0.137 . . . . 20.0 110.975 -176.228 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -62.31 -40.57 96.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.471 -0.332 . . . . 20.0 110.935 -179.205 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 48' ' ' ARG . 59.2 mm-40 -62.9 -44.21 96.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.155 -0.475 . . . . 20.0 110.016 176.824 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 41' ' ' PRO . 88.9 t -57.08 -50.9 74.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 20.0 110.81 179.541 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 35.0 mt-10 -60.36 -46.37 90.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.334 -0.393 . . . . 20.0 111.469 -177.335 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 29.6 mmm180 -69.38 -44.68 71.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.228 -0.442 . . . . 20.0 111.24 -177.771 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.487 ' HD3' ' O ' ' A' ' 44' ' ' GLU . 2.7 mpt_? -74.64 -28.26 60.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.331 -0.395 . . . . 20.0 111.307 -176.492 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.436 ' HA ' ' HB2' ' A' ' 53' ' ' PHE . 45.3 ttm -65.44 -38.04 88.7 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.257 0.551 . . . . 20.0 110.213 177.355 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.73 -51.97 14.75 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.405 -0.816 . . . . 20.0 111.275 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -90.93 -66.08 0.96 Allowed 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 112.044 0.387 . . . . 20.0 112.044 -174.178 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -64.6 -61.84 1.95 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 112.566 0.58 . . . . 20.0 112.566 -172.088 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.462 ' HA ' ' HB3' ' A' ' 56' ' ' MET . 46.7 m-85 -60.27 -35.29 75.19 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.221 0.452 . . . . 20.0 112.221 -172.248 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.54 -48.61 80.99 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.848 0.356 . . . . 20.0 111.001 179.709 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -76.74 -31.14 56.91 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.9 0.381 . . . . 20.0 110.351 179.574 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.462 ' HB3' ' HA ' ' A' ' 53' ' ' PHE . 21.8 ttt -60.88 -39.19 88.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 20.0 110.964 177.837 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 79.8 mtp180 -72.25 -43.79 63.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.33 -0.396 . . . . 20.0 110.372 177.252 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 59' ' ' GLU . 87.3 tttt 61.49 97.69 0.03 OUTLIER 'General case' 0 C--O 1.236 0.385 0 O-C-N 123.635 0.585 . . . . 20.0 111.429 177.292 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.447 ' HB3' ' O ' ' A' ' 58' ' ' LYS . 37.4 tt0 71.41 100.22 0.06 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.741 -0.663 . . . . 20.0 110.825 -179.233 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -83.94 45.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.96 -0.563 . . . . 20.0 110.937 -179.108 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t -149.35 58.08 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.186 0.517 . . . . 20.0 110.542 179.579 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -89.88 102.29 14.99 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 20.0 109.588 174.772 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.513 -0.756 . . . . 20.0 109.682 -179.569 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 66.8 mtt . . . . . 0 N--CA 1.483 1.194 0 N-CA-C 109.861 -0.422 . . . . 20.0 109.861 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -131.48 79.2 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.919 0.39 . . . . 20.0 111.086 178.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -151.27 155.63 39.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.474 . . . . 20.0 110.187 175.459 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -149.17 -0.19 0.5 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.208 -0.451 . . . . 20.0 110.993 -178.057 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -127.05 122.91 35.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.557 -0.292 . . . . 20.0 110.583 -175.379 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -130.66 -68.1 0.7 Allowed 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.513 -0.551 . . . . 20.0 109.513 171.672 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -177.29 -43.94 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.181 0.3 . . . . 20.0 111.799 173.336 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -67.93 -44.54 76.6 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.077 0.399 . . . . 20.0 112.077 -173.916 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -86.68 -1.99 58.15 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.45 -0.341 . . . . 20.0 111.149 -175.979 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -139.59 55.68 1.66 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.478 0.656 . . . . 20.0 110.75 -176.214 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -82.39 56.02 3.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.886 -0.597 . . . . 20.0 110.394 -179.774 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.23 -40.05 27.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.772 -179.145 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 mm? 50.23 63.49 2.18 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.297 0.57 . . . . 20.0 110.296 -177.353 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.4 m -136.63 86.55 22.45 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.588 -0.733 . . . . 20.0 110.136 -178.516 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -74.51 53.03 3.0 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 123.069 2.512 . . . . 20.0 112.603 -177.996 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 70.8 mtm -128.05 9.7 6.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.329 -0.396 . . . . 20.0 110.7 179.239 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 19.5 m -79.34 123.84 36.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.308 0.575 . . . . 20.0 110.621 -178.41 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 59.0 m -151.93 60.53 0.85 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.5 0.667 . . . . 20.0 109.957 179.663 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -110.85 166.64 10.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.146 -0.934 . . . . 20.0 110.095 -178.302 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.5 t80 68.21 115.81 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.262 0 O-C-N 123.956 0.785 . . . . 20.0 111.536 179.022 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.477 ' HG2' ' N ' ' A' ' 14' ' ' THR . 41.8 tt0 68.94 173.2 0.29 Allowed 'General case' 0 CA--C 1.538 0.506 0 CA-C-N 115.711 -0.677 . . . . 20.0 111.33 175.406 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.477 ' N ' ' HG2' ' A' ' 13' ' ' GLU . 40.0 p 56.69 58.05 4.37 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.966 0.906 . . . . 20.0 112.067 176.242 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 16.8 pt -135.68 161.33 38.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.447 -0.797 . . . . 20.0 111.058 177.711 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -54.59 38.02 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.189 -0.46 . . . . 20.0 112.126 -175.773 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.32 -27.49 68.64 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 111.937 0.347 . . . . 20.0 111.937 -174.005 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -74.11 -46.66 41.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.006 0.432 . . . . 20.0 109.849 178.499 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -68.14 -35.57 78.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.905 -0.589 . . . . 20.0 110.565 179.558 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 62.1 m -63.98 -34.51 78.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.338 -0.392 . . . . 20.0 110.673 178.55 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -70.07 -32.67 70.86 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.758 -0.46 . . . . 20.0 109.758 179.246 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -69.83 -32.45 70.87 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.98 -0.555 . . . . 20.0 109.924 177.464 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.51 -35.68 78.39 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.209 -0.451 . . . . 20.0 110.441 175.127 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.504 ' O ' ' HG3' ' A' ' 28' ' ' LYS . 11.8 m95 -71.02 -35.4 72.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.072 -0.513 . . . . 20.0 110.334 176.466 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -40.35 85.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.342 0.591 . . . . 20.0 109.564 178.239 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 55.2 ttp180 -66.71 -27.47 67.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.946 -0.57 . . . . 20.0 110.688 177.779 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.5 0.05 44.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.034 -0.53 . . . . 20.0 111.388 -178.621 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' HG3' ' O ' ' A' ' 24' ' ' TRP . 68.1 mttm -86.93 -11.95 49.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.216 -0.447 . . . . 20.0 110.957 -179.876 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.0 t -66.96 -40.05 84.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.037 -0.529 . . . . 20.0 109.758 176.428 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 68.96 111.72 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 124.06 0.85 . . . . 20.0 112.339 176.994 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 p -76.67 61.4 1.82 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.816 177.107 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m -114.52 39.56 2.78 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.779 -0.646 . . . . 20.0 110.023 -179.713 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -99.43 -22.34 15.57 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.942 -0.572 . . . . 20.0 110.148 -178.869 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -134.7 73.45 1.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.883 -0.599 . . . . 20.0 110.861 -178.676 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -131.98 80.14 65.6 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 116.141 -0.481 . . . . 20.0 109.858 176.778 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.38 -12.07 12.89 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.524 2.149 . . . . 20.0 113.396 -175.569 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -130.3 90.22 42.26 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 120.744 0.307 . . . . 20.0 111.084 -176.806 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -79.11 73.66 5.92 Favored 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.095 2.53 . . . . 20.0 111.386 175.501 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -86.27 -3.18 58.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.708 -0.678 . . . . 20.0 111.788 -176.475 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.0 mp -79.2 123.65 84.67 Favored Pre-proline 0 C--N 1.325 -0.481 0 N-CA-C 109.433 -0.58 . . . . 20.0 109.433 178.515 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.84 120.53 7.76 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.178 2.585 . . . . 20.0 112.662 -176.18 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.2 m-70 -60.45 -33.23 72.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.264 -0.88 . . . . 20.0 111.644 -175.512 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -61.47 -35.24 77.07 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.982 0.42 . . . . 20.0 110.738 -178.949 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -79.21 -39.07 34.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.023 -0.535 . . . . 20.0 110.434 178.945 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 67.4 t -60.12 -51.61 70.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 20.0 110.488 179.726 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -60.42 -26.24 66.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.165 -0.47 . . . . 20.0 111.235 179.919 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -80.57 -50.08 10.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.163 -0.471 . . . . 20.0 110.801 -179.122 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.429 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 75.9 ttt180 -75.11 -40.42 59.9 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.21 -0.45 . . . . 20.0 111.046 -176.162 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 56.5 ttm -62.91 -26.64 68.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 20.0 110.441 -179.77 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.49 -35.15 78.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.973 -0.558 . . . . 20.0 110.619 176.004 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -84.3 -27.08 28.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.741 -0.663 . . . . 20.0 109.567 179.519 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.429 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 31.1 mmm180 -76.43 -19.13 58.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.274 -0.875 . . . . 20.0 110.58 179.378 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -46.86 -46.53 21.05 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.445 0.698 . . . . 20.0 112.313 -174.798 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.71 -48.2 67.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.761 0.315 . . . . 20.0 111.377 -178.463 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.7 mttm -71.29 -26.13 62.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.302 0.573 . . . . 20.0 110.847 -177.738 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 14.3 ttt -68.25 -43.04 78.74 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.294 -0.866 . . . . 20.0 110.843 178.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -88.32 -58.85 2.41 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.989 -0.55 . . . . 20.0 111.043 -174.838 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt 55.47 86.97 0.05 Allowed 'General case' 0 N--CA 1.466 0.365 0 O-C-N 123.482 0.489 . . . . 20.0 111.369 -179.444 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.19 101.87 0.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.757 -0.656 . . . . 20.0 111.148 -179.319 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -99.84 -9.25 23.12 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.009 0.433 . . . . 20.0 110.975 -179.209 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 41.8 t -167.81 -73.88 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.82 -0.627 . . . . 20.0 109.804 178.773 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.0 tppt? -105.74 -37.32 6.76 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 108.612 -0.884 . . . . 20.0 108.612 174.42 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 . . . . . 0 C--O 1.247 0.955 0 CA-C-N 114.383 -1.28 . . . . 20.0 107.629 176.369 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 20.2 mmt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.931 0.396 . . . . 20.0 110.017 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -76.94 -74.14 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.581 -0.526 . . . . 20.0 109.581 176.549 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -75.79 154.05 36.51 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.565 -0.902 . . . . 20.0 108.565 172.564 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -132.99 155.49 49.06 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-O 120.972 0.415 . . . . 20.0 111.431 -170.225 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -104.04 178.71 4.48 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.568 -0.742 . . . . 20.0 109.263 176.457 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -60.91 -54.79 40.76 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.197 -0.668 . . . . 20.0 109.197 174.625 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -116.28 101.25 8.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.13 -0.941 . . . . 20.0 109.191 172.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -69.57 -27.53 65.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.115 -0.493 . . . . 20.0 110.994 -176.798 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -92.85 -12.59 30.67 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.12 -0.491 . . . . 20.0 110.163 178.376 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 69.55 -55.62 0.58 Allowed 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.736 0.814 . . . . 20.0 112.326 177.496 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -89.5 151.66 21.86 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.463 -0.335 . . . . 20.0 111.074 -174.432 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -122.03 167.34 13.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.99 -0.55 . . . . 20.0 109.977 177.746 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.8 mt -125.42 113.77 17.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.667 0.27 . . . . 20.0 110.919 -177.59 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 m -77.73 134.48 65.1 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.39 -0.368 . . . . 20.0 110.118 176.838 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -78.0 134.86 13.48 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.504 2.136 . . . . 20.0 112.49 179.692 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ttt 57.89 64.75 1.46 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.751 -0.659 . . . . 20.0 111.391 178.615 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.3 m -134.95 131.44 52.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.456 176.158 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.8 m 63.24 43.59 6.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.467 0.651 . . . . 20.0 110.746 178.742 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -108.08 -169.82 1.58 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.491 -0.777 . . . . 20.0 108.951 177.161 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -56.93 -44.22 82.26 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.725 -0.39 . . . . 20.0 110.257 177.326 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 42.11 55.33 3.91 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.949 0.781 . . . . 20.0 112.379 172.889 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.6 p -97.12 34.86 1.67 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.32 0.581 . . . . 20.0 110.21 178.608 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.2 mt -128.01 28.15 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.621 -0.718 . . . . 20.0 109.072 -176.778 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -57.17 -58.91 6.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.38 -0.827 . . . . 20.0 111.486 -173.537 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.48 ' O ' ' HD1' ' A' ' 21' ' ' TYR . 0.1 OUTLIER -68.94 -39.08 79.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.296 -0.411 . . . . 20.0 110.884 -176.542 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.52 -40.36 73.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.545 -0.298 . . . . 20.0 111.124 -175.799 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -70.61 -27.98 64.49 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 110.329 -0.248 . . . . 20.0 110.329 179.738 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 51.7 m -64.85 -39.48 93.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.977 0.417 . . . . 20.0 110.603 178.075 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.48 ' HD1' ' O ' ' A' ' 17' ' ' GLN . 62.0 m-85 -78.65 -24.4 45.23 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.464 176.955 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -72.77 -48.07 41.45 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.094 -0.503 . . . . 20.0 110.425 -179.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 24' ' ' TRP . 9.3 pt-20 -61.62 -41.12 97.03 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 121.076 0.465 . . . . 20.0 110.339 177.434 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.431 ' N ' ' HG3' ' A' ' 23' ' ' GLU . 67.9 t-105 -65.33 -37.58 87.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.692 -0.685 . . . . 20.0 110.665 -179.942 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 29' ' ' VAL . 34.0 tp -66.52 -40.7 89.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.365 -0.379 . . . . 20.0 110.168 179.13 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 38.7 mmt180 -59.52 -42.75 92.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.179 -0.464 . . . . 20.0 110.599 177.244 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.407 ' O ' ' HA ' ' A' ' 31' ' ' THR . . . -63.07 -34.59 77.92 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.016 -0.538 . . . . 20.0 110.929 179.268 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -78.03 -51.63 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.803 -0.635 . . . . 20.0 111.344 -178.867 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 25' ' ' LEU . 9.2 p -77.73 -33.33 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.06 0.393 . . . . 20.0 112.06 -171.884 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.421 ' C ' ' HG1' ' A' ' 31' ' ' THR . . . -99.77 -22.13 15.49 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.997 -0.281 . . . . 20.0 111.525 -176.553 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.421 ' HG1' ' C ' ' A' ' 30' ' ' ALA . 68.4 p 58.04 -75.46 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.339 1.055 . . . . 20.0 112.438 -177.612 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.1 t -90.21 115.7 27.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.143 -0.317 . . . . 20.0 110.143 179.407 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 33' ' ' LEU . 6.3 tt -75.24 -30.68 60.58 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 108.896 -0.779 . . . . 20.0 108.896 176.275 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.49 158.08 31.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.604 -0.725 . . . . 20.0 109.517 173.578 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -67.0 114.0 16.01 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-O 120.789 0.328 . . . . 20.0 110.822 -177.971 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 66.7 Cg_endo -76.1 113.51 3.72 Favored 'Trans proline' 0 N--CA 1.458 -0.592 0 C-N-CA 122.325 2.016 . . . . 20.0 111.994 179.877 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 10.6 ptm85 -119.88 131.88 24.25 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.252 -0.431 . . . . 20.0 110.532 179.67 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -73.77 79.49 2.25 Favored 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.724 2.283 . . . . 20.0 112.033 178.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -78.04 138.74 38.95 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.515 -0.766 . . . . 20.0 110.992 -179.489 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.433 ' N ' HD12 ' A' ' 40' ' ' ILE . 3.4 mp -76.01 122.9 87.82 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.984 -0.553 . . . . 20.0 109.579 178.308 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_exo -46.49 118.58 2.63 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.334 2.689 . . . . 20.0 112.704 -178.547 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -69.34 -25.5 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.077 -0.511 . . . . 20.0 110.752 -177.263 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -73.05 -28.21 62.19 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 20.0 110.402 -179.72 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 34.3 tt0 -77.99 -36.71 48.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.005 -0.543 . . . . 20.0 110.364 179.851 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 46.7 t -75.43 -48.22 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.214 -0.448 . . . . 20.0 110.717 179.255 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -59.72 -34.92 73.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 20.0 111.762 -174.809 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 19.7 ptp180 -66.45 -33.96 76.87 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.794 0.33 . . . . 20.0 110.613 -179.077 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -85.95 -32.52 21.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.241 0.543 . . . . 20.0 110.09 178.942 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 40.7 tpp -66.58 -30.45 70.75 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.378 -0.828 . . . . 20.0 110.513 -179.272 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.13 -47.25 78.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.778 -0.646 . . . . 20.0 111.323 177.794 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.41 -35.24 61.05 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.059 -0.519 . . . . 20.0 110.371 179.698 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -60.09 -45.66 92.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.852 -0.613 . . . . 20.0 110.406 178.317 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -62.27 -40.57 96.68 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 115.854 -0.612 . . . . 20.0 110.43 178.574 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.69 90.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.096 -0.502 . . . . 20.0 111.263 -178.729 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.473 ' HA ' ' HE2' ' A' ' 55' ' ' LYS . 10.9 mmpt? -71.14 -33.75 70.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 20.0 111.59 -178.053 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 25.4 ptm -84.74 -15.53 44.8 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.04 0.448 . . . . 20.0 110.579 179.597 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.5 tpt180 -88.02 -56.85 3.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.98 -0.554 . . . . 20.0 110.624 179.841 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.412 ' HA ' ' HE3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -142.89 96.26 2.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.211 -0.449 . . . . 20.0 110.447 -178.7 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.67 116.79 29.36 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.388 -0.369 . . . . 20.0 110.935 -179.778 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 59.4 -163.53 0.23 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-N 115.894 -0.594 . . . . 20.0 110.679 -177.402 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t 71.04 105.69 0.06 Allowed 'General case' 0 CA--C 1.531 0.24 0 O-C-N 123.504 0.503 . . . . 20.0 111.587 175.822 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -75.89 88.74 2.89 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.761 -0.459 . . . . 20.0 109.761 175.281 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--O 1.247 0.972 0 CA-C-O 118.581 -0.723 . . . . 20.0 110.287 -178.424 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 66.7 mtm . . . . . 0 N--CA 1.48 1.035 0 N-CA-C 110.071 -0.344 . . . . 20.0 110.071 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 69.19 -63.07 0.38 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.131 0.895 . . . . 20.0 111.435 -178.379 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -124.79 164.92 18.95 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.836 -0.431 . . . . 20.0 109.836 179.614 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 35.1 mtmm -84.82 45.58 1.17 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.441 0.638 . . . . 20.0 110.139 177.09 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -140.71 37.27 1.82 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.042 -0.981 . . . . 20.0 108.481 179.048 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -80.15 -45.32 18.36 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.836 -1.075 . . . . 20.0 109.048 -179.06 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -119.39 148.9 42.68 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.869 -1.06 . . . . 20.0 109.656 177.418 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 38.6 m-20 -86.31 1.52 50.71 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.298 -0.41 . . . . 20.0 110.988 -177.711 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -86.63 -11.18 52.11 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.904 -0.589 . . . . 20.0 110.403 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 64.7 30.05 12.62 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.396 -0.82 . . . . 20.0 110.571 -179.521 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -121.26 72.78 1.0 Allowed 'General case' 0 N--CA 1.445 -0.693 0 CA-C-O 121.365 0.602 . . . . 20.0 110.043 -177.37 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.87 31.96 0.68 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.466 -0.788 . . . . 20.0 110.306 178.166 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.1 mt -94.31 56.3 2.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.393 -176.799 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 m -134.2 75.46 65.35 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.956 -0.565 . . . . 20.0 110.104 178.394 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -87.1 26.57 0.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.707 0 C-N-CA 122.547 2.165 . . . . 20.0 112.572 -178.034 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.9 ttp 57.39 78.55 0.23 Allowed 'General case' 0 C--O 1.227 -0.092 0 CA-C-N 115.584 -0.735 . . . . 20.0 110.358 -176.811 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 27.6 m -87.32 34.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.243 -0.435 . . . . 20.0 111.838 -174.615 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.9 m 56.08 52.15 10.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.81 -0.632 . . . . 20.0 110.84 -178.733 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 67.69 105.72 0.05 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.659 -0.701 . . . . 20.0 110.855 -179.174 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.436 ' C ' ' H ' ' A' ' 14' ' ' THR . 25.9 p90 -72.43 -39.64 67.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.27 -0.423 . . . . 20.0 109.96 176.941 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 67.2 -17.23 0.14 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.992 0.917 . . . . 20.0 113.39 173.124 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.436 ' H ' ' C ' ' A' ' 12' ' ' PHE . 5.9 p -66.44 136.93 56.43 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.863 -0.421 . . . . 20.0 109.863 175.406 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.753 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 47.2 mm -79.29 127.19 39.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 109.348 -0.612 . . . . 20.0 109.348 -178.252 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -54.13 -27.18 31.66 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.076 -0.511 . . . . 20.0 112.324 -175.745 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.546 ' H ' HG22 ' A' ' 15' ' ' ILE . 29.3 mm-40 -77.34 -15.88 59.18 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.463 0.542 . . . . 20.0 112.463 -179.679 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.753 ' HG2' ' O ' ' A' ' 15' ' ' ILE . 10.3 pt-20 -84.81 0.62 50.17 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.744 -0.383 . . . . 20.0 110.59 -178.335 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.45 ' O ' ' HG2' ' A' ' 23' ' ' GLU . 5.5 p30 -61.21 -32.27 72.04 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.35 -0.386 . . . . 20.0 110.224 -178.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 12.0 p -72.82 -27.38 61.92 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.876 -0.602 . . . . 20.0 111.289 -177.326 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.47 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 77.5 t80 -62.36 -43.29 99.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.271 -0.422 . . . . 20.0 110.604 -178.451 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -69.56 -31.76 70.14 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.417 -0.586 . . . . 20.0 109.417 178.83 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' HG2' ' O ' ' A' ' 19' ' ' ASN . 31.6 mm-40 -63.5 -42.9 98.51 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.815 -0.63 . . . . 20.0 110.496 177.47 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.47 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 17.4 m0 -66.25 -35.55 80.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.681 179.113 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.63 -38.66 80.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.951 0.405 . . . . 20.0 110.355 178.129 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 26' ' ' ARG . 0.6 OUTLIER -62.8 -27.63 69.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.873 -0.603 . . . . 20.0 110.794 179.241 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -90.31 -30.62 17.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.04 -0.527 . . . . 20.0 111.244 179.126 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttp -67.11 -26.15 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.88 -0.6 . . . . 20.0 111.342 -176.146 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.1 p -61.93 -16.44 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 121.304 0.573 . . . . 20.0 110.683 179.887 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.79 67.93 1.27 Allowed 'General case' 0 N--CA 1.449 -0.498 0 CA-C-N 115.962 -0.563 . . . . 20.0 109.959 176.022 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.4 m -80.53 137.14 36.4 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.62 -0.718 . . . . 20.0 110.663 -178.745 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.1 p -94.54 145.22 24.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.703 -0.226 . . . . 20.0 110.763 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.6 mt 63.06 26.97 15.66 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.47 0.481 . . . . 20.0 111.233 179.669 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -162.52 139.17 7.75 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.59 -179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.409 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 19.3 m-20 -80.91 117.27 67.28 Favored Pre-proline 0 C--N 1.326 -0.439 0 N-CA-C 109.567 -0.531 . . . . 20.0 109.567 175.053 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 8.6 Cg_exo -72.85 72.43 3.2 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.805 2.337 . . . . 20.0 111.862 178.643 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 53.61 80.97 0.27 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 115.293 -0.867 . . . . 20.0 110.535 -177.13 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -68.19 108.08 1.68 Allowed 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.577 2.185 . . . . 20.0 112.18 -177.072 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -79.64 111.17 15.66 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.861 -0.608 . . . . 20.0 110.355 179.283 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.0 pt -109.07 120.91 44.42 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.109 -0.496 . . . . 20.0 110.431 179.359 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -71.95 119.4 6.17 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.446 2.097 . . . . 20.0 112.693 -176.787 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -80.23 -2.74 46.28 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.741 -0.466 . . . . 20.0 109.741 177.807 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -60.94 -24.04 65.75 Favored 'General case' 0 CA--C 1.519 -0.241 0 CA-C-N 115.744 -0.662 . . . . 20.0 110.914 177.342 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -57.77 -44.04 85.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 20.0 110.81 178.312 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 61.2 t -68.5 -44.99 82.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.113 -0.494 . . . . 20.0 110.529 -179.428 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -63.45 -41.72 98.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.726 -0.67 . . . . 20.0 110.394 -178.522 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -64.44 -35.8 82.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.223 0.535 . . . . 20.0 110.451 178.377 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.6 ttt180 -72.37 -39.26 68.18 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.482 -0.781 . . . . 20.0 110.743 -179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 42.3 tpp -76.74 -40.93 46.89 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.839 -177.438 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.23 -13.44 62.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.935 -0.575 . . . . 20.0 111.72 -177.402 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -54.41 -35.29 62.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.127 -0.488 . . . . 20.0 111.501 -178.36 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -84.98 -26.94 26.82 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.865 0.364 . . . . 20.0 111.267 -177.703 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -85.43 -42.83 14.15 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.475 -0.33 . . . . 20.0 111.251 -176.859 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.18 -48.99 79.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.02 -0.536 . . . . 20.0 111.652 -175.137 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -68.73 -33.77 74.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.407 -0.36 . . . . 20.0 111.273 -178.203 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 58.8 ttp -70.29 -35.19 73.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 20.0 110.371 -179.856 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 90.9 mtt180 -84.87 -4.71 59.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.98 -0.555 . . . . 20.0 110.822 179.405 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -74.91 -44.08 50.71 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.747 -0.464 . . . . 20.0 109.747 179.194 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -78.68 116.75 19.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.107 -0.497 . . . . 20.0 109.98 174.975 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.512 ' HA ' ' NE ' ' A' ' 60' ' ' ARG . 4.3 mmp_? -104.39 50.9 0.78 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.108 0.48 . . . . 20.0 109.872 177.334 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 28.8 t -65.71 130.31 42.83 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.524 -0.762 . . . . 20.0 110.63 -176.677 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 47.8 tttp 59.71 42.02 17.56 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.431 0.634 . . . . 20.0 110.47 176.527 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.724 -0.655 . . . . 20.0 110.327 -178.421 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 46.8 tpp . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 121.0 0.429 . . . . 20.0 110.348 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -161.76 -61.58 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.954 -0.566 . . . . 20.0 110.504 178.982 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -128.19 160.39 32.22 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.298 -0.41 . . . . 20.0 110.372 178.225 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.66 170.15 22.21 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.072 -0.714 . . . . 20.0 109.072 174.54 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -79.53 90.05 5.09 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.929 0.395 . . . . 20.0 111.59 -176.036 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -90.89 -40.45 11.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.92 -0.582 . . . . 20.0 110.308 176.055 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -64.49 -37.53 87.85 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.467 -0.788 . . . . 20.0 111.066 -177.386 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.28 -12.58 61.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.039 -0.528 . . . . 20.0 111.445 -178.286 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -75.37 -11.09 59.98 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.056 0.455 . . . . 20.0 110.533 178.559 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -118.6 147.8 43.36 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.792 -0.818 . . . . 20.0 108.792 177.163 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -83.5 61.45 6.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.474 0.654 . . . . 20.0 110.465 178.137 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.58 152.55 41.75 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.328 -0.851 . . . . 20.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.22 104.72 0.41 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.997 0.427 . . . . 20.0 110.064 178.769 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' H ' ' A' ' 8' ' ' MET . 9.3 m -120.14 137.01 25.45 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.767 -0.652 . . . . 20.0 110.108 -176.997 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.96 22.07 0.26 Allowed 'Trans proline' 0 CA--C 1.532 0.392 0 C-N-CA 122.874 2.382 . . . . 20.0 113.016 -177.993 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.42 ' H ' ' C ' ' A' ' 6' ' ' SER . 1.8 tmt? -68.91 -36.44 78.02 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.644 -0.502 . . . . 20.0 109.644 178.341 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.4 m -76.03 132.87 32.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.043 -0.526 . . . . 20.0 110.058 175.784 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 m -99.96 37.83 1.57 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.467 -0.333 . . . . 20.0 111.21 -175.55 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 68.85 161.49 0.2 Allowed 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 115.788 -0.642 . . . . 20.0 111.342 -179.732 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -117.43 147.66 42.49 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.028 -0.533 . . . . 20.0 110.379 -178.194 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -80.41 144.72 32.42 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.323 178.357 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -90.16 120.87 31.69 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.29 -0.414 . . . . 20.0 110.091 175.96 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.616 HG22 ' H ' ' A' ' 18' ' ' GLU . 3.9 mp -92.13 105.66 16.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.553 -0.536 . . . . 20.0 109.553 177.433 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 0.3 OUTLIER -63.91 -34.54 78.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.916 -0.584 . . . . 20.0 111.351 -174.861 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -74.93 -34.82 62.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.557 -0.292 . . . . 20.0 111.423 -178.208 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.616 ' H ' HG22 ' A' ' 15' ' ' ILE . 40.6 tt0 -79.33 -28.09 42.09 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.203 0.525 . . . . 20.0 109.697 -178.844 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -70.4 -17.27 63.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 20.0 110.686 174.531 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.3 t -69.64 -25.7 64.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.223 0.535 . . . . 20.0 109.606 176.024 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.478 ' HA ' ' HB3' ' A' ' 24' ' ' TRP . 54.2 m-85 -72.42 -18.24 61.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.884 -0.598 . . . . 20.0 110.4 177.504 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -70.78 -39.88 72.92 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.229 -0.656 . . . . 20.0 109.229 176.064 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.75 -36.51 65.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.765 -0.652 . . . . 20.0 110.064 175.366 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.478 ' HB3' ' HA ' ' A' ' 21' ' ' TYR . 67.0 t-105 -59.91 -28.86 67.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.758 -0.655 . . . . 20.0 110.713 175.984 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD13 ' O ' ' A' ' 25' ' ' LEU . 3.0 tm? -58.93 -38.59 79.32 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.795 -0.446 . . . . 20.0 109.795 177.141 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 37.7 mmt180 -77.97 -21.19 51.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.822 -178.527 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.98 -36.07 16.06 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.209 -0.451 . . . . 20.0 111.131 179.516 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.7 ttpp -61.41 -37.66 84.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.823 -0.626 . . . . 20.0 111.026 -177.358 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.68 -23.6 33.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.085 0.469 . . . . 20.0 110.908 179.751 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.88 -31.02 20.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.282 -0.417 . . . . 20.0 110.399 179.26 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 9.1 m -74.04 -44.13 55.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.103 -0.499 . . . . 20.0 110.174 177.419 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.8 m -83.35 60.55 5.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.177 0.513 . . . . 20.0 110.084 177.601 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.6 tp -87.92 -26.8 22.53 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.849 -0.614 . . . . 20.0 111.197 -175.907 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.11 58.22 1.83 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.125 0.488 . . . . 20.0 110.45 179.1 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -111.17 144.98 31.54 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 115.879 -0.601 . . . . 20.0 110.531 -178.164 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -96.13 31.9 0.17 Allowed 'Trans proline' 0 N--CA 1.454 -0.838 0 C-N-CA 123.238 2.625 . . . . 20.0 111.719 173.256 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 61.89 81.75 0.23 Allowed Pre-proline 0 C--O 1.233 0.216 0 CA-C-N 115.509 -0.768 . . . . 20.0 110.729 -174.116 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 17.6 Cg_exo -66.3 -28.65 47.11 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.754 2.303 . . . . 20.0 111.321 179.055 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -85.93 81.35 8.56 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.59 -0.732 . . . . 20.0 110.254 178.057 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.2 mt -80.0 114.5 46.99 Favored Pre-proline 0 C--N 1.321 -0.631 0 CA-C-N 115.535 -0.757 . . . . 20.0 109.549 177.788 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -58.83 117.24 3.93 Favored 'Trans proline' 0 N--CA 1.462 -0.359 0 C-N-CA 122.045 1.83 . . . . 20.0 111.849 -179.258 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -91.94 -0.13 57.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.117 0.484 . . . . 20.0 109.908 177.451 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.59 -35.79 75.0 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 115.61 -0.723 . . . . 20.0 110.272 176.404 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -56.96 -40.92 77.37 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-O 121.537 0.684 . . . . 20.0 110.065 177.288 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 66.7 t -71.79 -56.28 10.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.057 -0.974 . . . . 20.0 110.604 -178.934 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.0 mm-40 -56.76 -35.25 68.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.919 -0.582 . . . . 20.0 111.441 -177.944 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 14.1 ttm180 -63.08 -51.27 67.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 20.0 111.401 -178.57 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -77.47 -36.46 52.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.437 -0.347 . . . . 20.0 111.154 -175.418 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.19 -39.16 89.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.586 -0.279 . . . . 20.0 110.551 176.323 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.26 -37.5 80.59 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.276 -0.42 . . . . 20.0 110.935 177.442 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 47' ' ' ARG . 43.2 mt-10 -65.06 -35.44 81.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.107 178.763 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 27.1 mmm180 -72.71 -44.97 61.05 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.577 -0.738 . . . . 20.0 110.802 178.989 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -63.85 -39.51 94.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.495 -0.321 . . . . 20.0 110.75 178.873 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.4 -24.0 67.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.967 0.413 . . . . 20.0 111.06 178.911 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -90.22 -52.76 4.77 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.937 -0.574 . . . . 20.0 111.151 -179.558 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 59.9 ttp -79.6 -46.33 17.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.451 -0.341 . . . . 20.0 111.633 -173.537 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -72.26 -45.24 60.99 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.927 -0.768 . . . . 20.0 108.927 179.239 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.3 tppp? 55.24 71.55 0.53 Allowed 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.323 -0.853 . . . . 20.0 111.221 174.804 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -88.0 -37.65 16.17 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.518 0.675 . . . . 20.0 109.916 176.782 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.45 ' HB3' ' HB2' ' A' ' 63' ' ' GLN . 85.1 mtm180 -131.89 89.98 2.76 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.047 -0.979 . . . . 20.0 110.798 -170.552 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.0 p -73.59 -46.71 45.58 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.341 -0.39 . . . . 20.0 110.693 177.469 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -134.08 32.92 3.42 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.048 0.451 . . . . 20.0 110.512 178.131 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.45 ' HB2' ' HB3' ' A' ' 60' ' ' ARG . 21.7 mt-30 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.579 -0.724 . . . . 20.0 110.014 -179.098 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 26.3 mmt . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.366 0.127 . . . . 20.0 111.0 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 3.7 p30 179.58 152.43 0.42 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.561 -0.29 . . . . 20.0 111.351 179.869 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 50.92 -92.48 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.387 1.255 . . . . 20.0 114.387 169.365 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.508 ' H ' ' HD3' ' A' ' -4' ' ' LYS . 0.7 OUTLIER -123.47 2.49 9.03 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.94 -0.304 . . . . 20.0 111.208 -173.373 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -70.9 -28.1 64.28 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.117 0.484 . . . . 20.0 110.781 -179.572 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -95.02 14.61 21.27 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.152 0.501 . . . . 20.0 110.639 -178.098 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -101.45 64.98 1.02 Allowed 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.787 -0.82 . . . . 20.0 108.787 175.029 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 4' ' ' ALA . 4.9 p-10 -69.96 -27.64 64.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.512 -0.767 . . . . 20.0 110.605 -178.091 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -69.08 -3.6 13.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.781 -0.645 . . . . 20.0 111.26 179.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -62.17 -45.67 92.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.264 -0.426 . . . . 20.0 110.71 -179.643 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 -150.93 52.01 0.86 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.772 -0.649 . . . . 20.0 110.642 -177.092 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 0' ' ' ASP . . . -96.39 67.9 2.52 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.926 -0.579 . . . . 20.0 111.584 -177.313 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.6 mt 55.22 55.1 7.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.17 -0.468 . . . . 20.0 111.376 177.296 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.1 m 65.25 98.6 0.04 OUTLIER Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 115.634 -0.712 . . . . 20.0 111.416 178.075 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.02 141.45 56.99 Favored 'Trans proline' 0 C--N 1.347 0.5 0 C-N-CA 122.914 2.409 . . . . 20.0 111.961 179.795 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mpt? 59.81 87.76 0.08 Allowed 'General case' 0 C--O 1.232 0.181 0 O-C-N 123.541 0.525 . . . . 20.0 109.955 -173.056 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG21 ' HG2' ' A' ' 17' ' ' GLN . 59.1 t -52.01 122.51 2.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.683 -0.69 . . . . 20.0 111.047 -175.695 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.7 t -88.63 79.69 7.48 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.716 -0.674 . . . . 20.0 110.787 -175.524 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -87.35 167.37 14.11 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.638 -0.875 . . . . 20.0 108.638 172.967 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -50.44 -52.42 38.07 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.631 0.604 . . . . 20.0 112.631 -172.205 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -145.55 -72.85 0.24 Allowed 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.855 0.36 . . . . 20.0 110.381 -179.082 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.1 t -78.4 129.99 35.59 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.391 -0.596 . . . . 20.0 109.391 177.184 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG22 ' H ' ' A' ' 18' ' ' GLU . 28.3 mm -93.47 97.19 6.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.22 0.533 . . . . 20.0 109.563 -176.317 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -73.23 -29.43 62.78 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.936 -0.575 . . . . 20.0 110.205 -175.328 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.417 ' HG2' HG21 ' A' ' 9' ' ' VAL . 51.5 tp60 -65.44 -28.98 69.61 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.947 -0.57 . . . . 20.0 109.926 175.69 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' H ' HG22 ' A' ' 15' ' ' ILE . 39.6 tt0 -66.29 -41.16 90.18 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.208 179.24 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.85 -40.52 54.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.499 179.546 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 49.0 m -70.24 -12.46 61.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.023 0.439 . . . . 20.0 111.172 179.243 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.8 t80 -77.13 -18.3 58.01 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.007 0.432 . . . . 20.0 110.305 177.473 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -62.48 -37.47 86.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.593 178.983 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -60.07 -37.71 80.71 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 20.0 110.726 176.597 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -66.64 -44.18 82.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.956 -0.566 . . . . 20.0 109.851 178.327 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.522 ' O ' HG23 ' A' ' 29' ' ' VAL . 96.4 mt -61.41 -47.33 86.26 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.063 -0.517 . . . . 20.0 110.513 177.415 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -55.27 -42.46 73.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.973 -0.558 . . . . 20.0 111.165 179.907 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.48 -37.22 86.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.139 -0.482 . . . . 20.0 110.93 179.393 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.3 mtpp -74.98 -35.06 62.07 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.68 -178.666 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 25' ' ' LEU . 84.2 t -66.53 -31.88 55.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.22 0.533 . . . . 20.0 110.288 176.988 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.53 -4.34 26.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.691 -0.686 . . . . 20.0 111.089 178.645 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.1 m 76.39 128.36 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 115.431 -0.804 . . . . 20.0 111.609 177.158 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.7 m -74.33 142.49 45.15 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.964 -0.562 . . . . 20.0 109.83 176.384 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.5 mt -57.9 100.23 0.05 Allowed 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.44 0.462 . . . . 20.0 111.209 -178.3 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -173.29 147.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.473 -0.785 . . . . 20.0 109.875 -179.846 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -126.2 88.85 53.53 Favored Pre-proline 0 C--N 1.321 -0.657 0 N-CA-C 109.546 -0.538 . . . . 20.0 109.546 177.141 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.11 85.5 1.02 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.862 2.374 . . . . 20.0 111.976 -177.76 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -116.72 124.39 29.39 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 115.668 -0.696 . . . . 20.0 110.573 -176.031 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -75.65 78.3 3.11 Favored 'Trans proline' 0 N--CA 1.462 -0.378 0 C-N-CA 122.33 2.02 . . . . 20.0 111.711 177.032 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 69.27 152.72 0.1 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.372 -0.831 . . . . 20.0 111.201 -177.787 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.3 pt -90.39 123.8 64.55 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-N 116.229 -0.441 . . . . 20.0 110.834 178.757 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.421 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 89.9 Cg_endo -83.47 147.8 12.62 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 122.773 2.316 . . . . 20.0 111.436 175.451 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 23.1 m170 -67.48 -16.84 64.43 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.131 -178.957 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -70.67 -38.7 73.8 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.996 -0.547 . . . . 20.0 110.88 -178.186 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 41' ' ' PRO . 0.4 OUTLIER -76.14 -23.49 54.82 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.557 -0.457 . . . . 20.0 110.153 -177.79 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 76.1 t -65.58 -45.91 91.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.211 -0.663 . . . . 20.0 109.211 174.006 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 38.4 mt-10 -60.04 -42.35 94.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.308 -0.86 . . . . 20.0 110.244 176.283 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.3 mmm180 -64.56 -40.8 96.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.03 -0.532 . . . . 20.0 111.563 -179.07 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -68.54 -42.69 78.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.741 -0.209 . . . . 20.0 111.466 -178.794 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 17.0 ptp -71.54 -32.99 68.77 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.492 -0.483 . . . . 20.0 110.64 178.662 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.26 -51.05 71.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.707 0.289 . . . . 20.0 111.362 -179.98 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -69.16 -19.76 64.0 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.188 -0.46 . . . . 20.0 110.83 -178.79 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -75.97 -41.62 50.84 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.259 -0.428 . . . . 20.0 109.911 176.356 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -70.54 -29.39 65.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.208 0.528 . . . . 20.0 110.222 177.052 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.09 -21.53 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.441 -0.799 . . . . 20.0 111.601 -178.107 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -66.93 -23.27 65.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.334 -0.394 . . . . 20.0 110.852 179.241 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 56.4 ttm -83.82 -14.12 52.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.15 0.5 . . . . 20.0 110.187 178.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 57' ' ' ARG . 77.9 ttt180 -110.18 5.2 21.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 20.0 110.086 179.294 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -72.75 -19.73 61.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.008 -0.542 . . . . 20.0 110.87 -176.548 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 61.49 71.67 0.54 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.745 -0.661 . . . . 20.0 110.752 -179.939 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.9 tpt180 -69.63 -54.59 13.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.307 -0.861 . . . . 20.0 110.787 -178.664 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.2 p -166.97 -49.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.132 -0.485 . . . . 20.0 110.079 179.641 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.563 ' HE3' ' HA ' ' A' ' 62' ' ' LYS . 1.3 tpmt? -158.42 78.67 0.8 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.275 0.56 . . . . 20.0 109.648 174.968 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.48 -0.782 . . . . 20.0 109.744 179.625 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 11.9 tpt . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.613 -0.514 . . . . 20.0 109.613 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -91.55 150.14 21.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.939 0.4 . . . . 20.0 110.346 -178.403 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 49.1 m-85 -95.79 143.18 27.24 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.677 -0.49 . . . . 20.0 109.677 -178.564 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 96.5 mttt 63.17 23.11 13.73 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.622 0.576 . . . . 20.0 110.71 -174.222 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -160.32 51.74 0.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.603 0.716 . . . . 20.0 109.751 -179.313 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.5 -47.55 63.47 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.617 -0.72 . . . . 20.0 109.798 179.584 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 1.3 t70 64.17 21.22 12.48 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 114.234 -1.348 . . . . 20.0 110.988 175.725 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -71.92 -21.14 61.66 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.718 -0.674 . . . . 20.0 110.222 -179.253 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -65.55 -34.16 77.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.684 -0.689 . . . . 20.0 110.655 179.669 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 50.17 62.78 2.49 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 121.031 0.443 . . . . 20.0 110.728 179.735 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.503 ' HB2' ' SD ' ' A' ' 56' ' ' MET . 0.1 OUTLIER -79.11 13.49 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.005 -0.543 . . . . 20.0 111.946 -173.018 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.51 -30.31 70.54 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.059 0.457 . . . . 20.0 110.659 178.324 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.405 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.0 mm? -85.26 56.48 3.97 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.026 -0.534 . . . . 20.0 109.76 178.708 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.401 ' HB2' ' HB ' ' A' ' 9' ' ' VAL . 38.1 m -68.19 118.97 64.2 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.565 -0.743 . . . . 20.0 110.933 -178.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -73.29 118.31 5.46 Favored 'Trans proline' 0 N--CA 1.462 -0.381 0 C-N-CA 122.422 2.081 . . . . 20.0 111.625 178.04 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 58.37 67.02 0.99 Allowed 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.292 0.568 . . . . 20.0 110.375 -177.702 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.401 ' HB ' ' HB2' ' A' ' 6' ' ' SER . 8.9 p -94.47 134.14 32.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 115.662 -0.699 . . . . 20.0 110.715 -178.403 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.5 t -127.6 137.43 52.57 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.647 -0.706 . . . . 20.0 109.276 178.191 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -83.37 147.16 28.06 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.041 0.448 . . . . 20.0 109.915 179.68 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 76.4 m-85 -84.16 6.65 21.69 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.404 0.621 . . . . 20.0 110.278 178.613 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -68.82 -32.66 72.52 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.128 -0.942 . . . . 20.0 110.142 173.694 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 30.9 p -87.74 24.37 1.75 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.932 -0.576 . . . . 20.0 111.104 -178.117 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 14.2 tt -66.03 -14.02 16.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.688 -0.687 . . . . 20.0 109.87 177.685 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 19' ' ' ASN . 74.5 mm-40 -62.6 -22.88 66.72 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.664 -0.698 . . . . 20.0 110.954 178.308 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 17' ' ' GLN . 17.7 mm-40 -64.7 -33.85 76.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.082 0.467 . . . . 20.0 110.125 176.212 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -89.57 -31.45 17.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.749 -0.66 . . . . 20.0 109.668 178.148 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.465 ' HB3' ' HA ' ' A' ' 16' ' ' GLU . 65.8 t30 -66.55 -20.29 65.98 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.48 -0.782 . . . . 20.0 110.221 178.001 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 69.3 m -60.28 -28.57 68.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.002 -0.545 . . . . 20.0 110.681 176.033 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -73.88 -33.7 64.14 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 20.0 110.216 177.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 -65.99 -41.71 90.73 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.144 -0.48 . . . . 20.0 110.457 -178.975 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -71.86 -30.26 65.25 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.079 -0.509 . . . . 20.0 110.435 179.274 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -69.01 -43.09 75.5 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.57 -0.741 . . . . 20.0 110.243 175.896 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 52.8 tp -74.38 -31.54 62.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.944 -0.571 . . . . 20.0 110.749 -178.34 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.579 ' HD3' ' O ' ' A' ' 32' ' ' SER . 17.9 ttm-85 -51.74 -53.79 35.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.625 -0.716 . . . . 20.0 111.628 -178.531 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.16 -9.87 59.18 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.058 -0.519 . . . . 20.0 111.65 -175.169 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -90.29 -45.65 8.91 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.153 -0.476 . . . . 20.0 110.972 -178.791 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.0 p -81.68 -26.17 9.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.705 -175.596 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -165.34 -164.87 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.738 -0.21 . . . . 20.0 110.821 -177.199 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.6 m -86.35 -69.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.796 -0.446 . . . . 20.0 109.796 173.124 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.579 ' O ' ' HD3' ' A' ' 26' ' ' ARG . 44.3 m 47.91 55.73 8.19 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 115.824 -0.625 . . . . 20.0 111.536 179.305 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -68.72 -33.93 74.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.708 -178.353 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -119.04 159.47 23.84 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.809 -0.632 . . . . 20.0 109.564 177.096 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -110.46 97.05 30.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.65 0.262 . . . . 20.0 111.103 178.723 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -77.4 -3.07 13.27 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.546 2.164 . . . . 20.0 111.011 173.576 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 37' ' ' ARG . 42.5 ttp180 -132.25 135.81 27.04 Favored Pre-proline 0 C--N 1.325 -0.464 0 CA-C-N 114.788 -1.096 . . . . 20.0 108.919 -179.689 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 37' ' ' ARG . 37.9 Cg_exo -59.42 109.12 0.51 Allowed 'Trans proline' 0 C--O 1.235 0.363 0 C-N-CA 122.58 2.187 . . . . 20.0 112.078 178.415 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -66.81 137.1 56.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.177 -0.465 . . . . 20.0 110.24 179.469 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.5 mt 67.44 96.47 0.05 OUTLIER Pre-proline 0 C--O 1.233 0.217 0 O-C-N 123.667 0.604 . . . . 20.0 110.083 -173.928 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 42.2 Cg_exo -57.78 150.17 64.21 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 123.295 2.664 . . . . 20.0 112.958 -176.966 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.584 ' O ' HG12 ' A' ' 45' ' ' VAL . 42.1 t-80 -73.93 -11.77 60.45 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.736 -0.665 . . . . 20.0 110.784 -176.759 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -80.6 -8.77 59.72 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.877 0.37 . . . . 20.0 110.839 177.178 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -76.65 -29.03 56.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.406 -0.361 . . . . 20.0 110.854 -178.416 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.584 HG12 ' O ' ' A' ' 42' ' ' HIS . 14.0 p -68.9 -25.93 31.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 120.923 0.392 . . . . 20.0 109.983 176.871 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -66.83 -48.69 68.13 Favored 'General case' 0 C--O 1.236 0.351 0 CA-C-O 121.077 0.465 . . . . 20.0 110.293 179.969 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -72.76 -34.95 67.34 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.696 -179.218 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -74.76 -34.83 62.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.877 -177.667 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 46.3 ttm -63.82 -32.79 74.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 20.0 110.508 -179.559 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.63 -33.46 75.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.232 0.539 . . . . 20.0 110.644 178.192 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 41.6 mt-10 -72.56 -29.63 63.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.594 -0.73 . . . . 20.0 110.282 178.264 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -63.59 -41.37 98.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.062 -0.517 . . . . 20.0 109.845 177.276 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -69.26 -32.71 72.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.724 -0.671 . . . . 20.0 110.703 176.796 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.7 -14.52 61.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.089 -0.505 . . . . 20.0 111.205 -179.959 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 68.6 mttm -68.0 -25.48 65.43 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.992 0.425 . . . . 20.0 110.283 175.384 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.503 ' SD ' ' HB2' ' A' ' 3' ' ' ARG . 31.6 mmt -77.91 -1.03 29.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.735 -0.666 . . . . 20.0 110.651 -178.971 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -79.73 -23.5 42.27 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.267 179.001 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 50.7 mtmt -111.53 158.33 19.3 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.097 0.475 . . . . 20.0 111.58 -174.242 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -117.94 155.08 30.85 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 108.483 -0.932 . . . . 20.0 108.483 177.42 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -75.74 1.32 15.07 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.878 0.325 . . . . 20.0 111.878 -174.096 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.3 m -85.49 7.91 21.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.71 0.29 . . . . 20.0 110.746 177.075 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp 63.08 26.67 15.5 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.83 -0.623 . . . . 20.0 111.344 179.968 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.403 -0.808 . . . . 20.0 109.966 -178.508 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 49.9 tpp . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 121.198 0.523 . . . . 20.0 109.83 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -107.17 -6.53 17.27 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.998 -0.546 . . . . 20.0 110.974 -177.402 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 59.59 -162.68 0.24 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-N 115.467 -0.788 . . . . 20.0 111.606 178.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 57.5 tptt 59.35 68.57 0.79 Allowed 'General case' 0 C--O 1.236 0.353 0 CA-C-O 121.752 0.787 . . . . 20.0 109.91 -178.468 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -157.56 3.83 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.203 -0.908 . . . . 20.0 110.747 -178.878 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -92.17 -44.76 8.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.248 -178.921 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -69.83 -17.95 63.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.756 0.313 . . . . 20.0 110.331 179.342 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -74.08 -21.03 60.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.507 . . . . 20.0 110.924 176.431 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -71.26 -18.21 62.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.064 0.459 . . . . 20.0 109.918 177.516 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -113.69 60.78 0.66 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.575 -0.738 . . . . 20.0 109.507 -179.661 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.45 ' HG2' ' O ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -61.13 117.1 5.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.009 -0.541 . . . . 20.0 110.514 -177.704 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -155.57 26.54 0.39 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.881 -0.6 . . . . 20.0 110.389 -179.182 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 mp -92.87 -11.72 32.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.122 -0.49 . . . . 20.0 110.329 -179.358 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.4 m -114.6 137.99 22.97 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.974 -0.557 . . . . 20.0 110.576 -178.465 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -77.1 59.85 6.69 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.478 2.119 . . . . 20.0 111.345 176.876 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.1 ptm -76.74 4.36 9.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.652 -0.703 . . . . 20.0 111.738 -173.303 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.9 p -112.27 0.67 9.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.593 0.711 . . . . 20.0 109.767 174.251 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 25.2 m -151.95 50.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.555 -0.748 . . . . 20.0 110.166 -178.51 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -83.46 93.4 7.79 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.966 -0.561 . . . . 20.0 109.966 -179.354 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -126.49 45.82 2.59 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.266 0.555 . . . . 20.0 110.115 -179.241 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -74.14 -30.51 62.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.538 -0.755 . . . . 20.0 110.443 179.952 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.8 p -81.03 77.58 7.92 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.39 0.614 . . . . 20.0 110.574 -179.897 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.8 mm -77.43 85.81 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.491 -0.777 . . . . 20.0 110.385 -178.891 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.48 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -90.89 -29.57 17.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.802 -0.635 . . . . 20.0 112.204 -177.689 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.36 -19.88 66.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.969 0.414 . . . . 20.0 111.26 -179.022 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -82.72 -24.76 33.44 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.098 -0.501 . . . . 20.0 110.588 -179.843 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.48 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 9.6 m120 -61.57 -24.66 66.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.404 -0.362 . . . . 20.0 111.693 -171.982 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.5 p -72.21 -47.29 51.69 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.147 0.499 . . . . 20.0 110.844 178.838 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -80.57 -34.82 35.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.843 -0.617 . . . . 20.0 110.734 -179.522 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -56.88 -37.73 71.77 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 116.249 -0.432 . . . . 20.0 110.919 -179.494 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -64.02 -46.11 85.92 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 20.0 110.616 179.499 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 75.0 t-105 -71.58 -35.6 70.6 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.938 -0.574 . . . . 20.0 110.477 -178.377 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 29' ' ' VAL . 49.6 tp -71.88 -33.38 68.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.022 -0.536 . . . . 20.0 110.137 178.312 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 47.5 ttp180 -57.93 -27.62 63.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.595 -0.729 . . . . 20.0 110.855 -179.912 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.98 -37.95 75.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.931 0.396 . . . . 20.0 110.983 178.835 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -90.22 -30.04 17.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.064 -0.516 . . . . 20.0 110.685 -179.865 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 25' ' ' LEU . 84.6 t -73.58 -41.74 55.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 20.0 111.116 -178.81 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.18 64.6 7.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.033 -0.53 . . . . 20.0 110.874 -178.596 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.8 m -79.78 67.82 5.67 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.078 -0.712 . . . . 20.0 109.078 174.313 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 10.3 m -65.96 99.84 0.53 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.408 -0.815 . . . . 20.0 110.87 -176.435 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.5 mt -97.39 110.19 22.8 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.525 -0.546 . . . . 20.0 109.525 177.081 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.54 139.68 48.78 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.772 0.32 . . . . 20.0 110.686 -177.206 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.01 74.73 71.78 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 109.546 -0.539 . . . . 20.0 109.546 176.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -86.9 51.83 2.48 Favored 'Trans proline' 0 N--CA 1.456 -0.687 0 C-N-CA 122.929 2.419 . . . . 20.0 112.055 -177.302 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.8 tpp180 69.77 114.97 0.03 OUTLIER Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.307 -0.86 . . . . 20.0 110.627 -179.561 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -72.82 63.41 3.95 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.528 2.152 . . . . 20.0 112.101 178.57 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -143.04 10.26 1.73 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.605 -0.725 . . . . 20.0 110.462 178.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.9 mt -85.75 127.96 60.57 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.521 -0.763 . . . . 20.0 110.743 -176.511 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -56.4 141.43 89.5 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.752 2.301 . . . . 20.0 111.291 174.557 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -70.63 -24.33 62.7 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.3 -0.409 . . . . 20.0 111.203 -174.601 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -73.27 -34.81 66.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.292 0.568 . . . . 20.0 109.632 173.845 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -67.9 -36.85 80.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.297 -0.865 . . . . 20.0 110.333 -179.081 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 88.3 t -59.36 -44.34 92.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.874 -0.603 . . . . 20.0 110.505 177.891 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -61.39 -37.13 82.31 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.028 0.442 . . . . 20.0 110.286 178.424 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.2 mtt180 -65.64 -47.25 76.21 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.858 -0.61 . . . . 20.0 111.037 -179.84 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.408 ' HD3' ' SD ' ' A' ' 49' ' ' MET . 0.0 OUTLIER -73.59 -19.95 60.74 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.743 -0.383 . . . . 20.0 111.028 -179.07 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.408 ' SD ' ' HD3' ' A' ' 48' ' ' ARG . 0.0 OUTLIER -68.34 -38.99 82.03 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.046 0.451 . . . . 20.0 109.964 171.765 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.8 90.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.255 176.357 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.609 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 43.9 mt-10 -63.51 -41.98 98.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.414 -0.812 . . . . 20.0 110.176 176.862 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.3 tpt180 -57.17 -45.14 83.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.788 -0.642 . . . . 20.0 110.906 177.766 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -64.55 -38.0 89.48 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.201 0.524 . . . . 20.0 110.101 179.994 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.61 -39.16 88.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.79 -0.641 . . . . 20.0 111.183 179.701 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.609 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 96.3 mttt -60.64 -32.17 71.35 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.48 . . . . 20.0 110.998 179.398 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 55.8 ttp -62.86 -38.55 91.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.044 -0.526 . . . . 20.0 111.058 -177.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.1 10.17 38.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.891 0.377 . . . . 20.0 110.858 -179.566 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? 65.57 93.47 0.07 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.257 -0.883 . . . . 20.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -118.43 152.07 36.58 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.651 -0.704 . . . . 20.0 109.895 -178.616 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -88.7 134.36 33.93 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.989 -0.374 . . . . 20.0 109.989 178.774 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 46.1 t -77.75 144.74 36.94 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.316 -0.402 . . . . 20.0 110.436 -179.064 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 61.3 tttm 65.98 26.69 10.88 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-O 121.892 0.853 . . . . 20.0 109.912 -178.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 56.9 tp60 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.177 -0.916 . . . . 20.0 109.667 -179.192 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 120.956 0.408 . . . . 20.0 110.538 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -101.78 78.88 1.86 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.984 0.421 . . . . 20.0 110.042 -179.109 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -113.66 2.8 15.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.862 -178.641 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 46.67 18.52 0.07 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 124.919 1.287 . . . . 20.0 113.824 179.908 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . 0.4 ' CG ' ' H ' ' A' ' -2' ' ' ASP . 5.9 t70 53.37 -170.95 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 123.472 0.709 . . . . 20.0 111.628 178.922 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.4 ' H ' ' CG ' ' A' ' -3' ' ' ASP . 14.0 m-20 -132.52 -46.19 0.89 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.436 -0.347 . . . . 20.0 111.108 179.288 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -90.0 -34.03 16.13 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.449 -0.341 . . . . 20.0 110.692 -178.083 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -74.05 -20.74 60.2 Favored 'General case' 0 CA--C 1.52 -0.206 0 CA-C-O 121.319 0.58 . . . . 20.0 110.388 176.674 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.482 ' HB2' ' O ' ' A' ' -4' ' ' LYS . 36.1 tptt -92.86 0.11 57.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.69 -0.686 . . . . 20.0 109.182 176.246 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 11.5 t30 67.45 -67.05 0.19 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.352 -0.84 . . . . 20.0 110.291 -175.11 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -171.8 -65.23 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.673 -0.862 . . . . 20.0 108.673 174.924 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -127.17 70.05 1.29 Allowed 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.526 -0.761 . . . . 20.0 109.888 178.381 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 22.3 tp -91.5 19.13 6.47 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 116.177 -0.465 . . . . 20.0 110.649 -175.711 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.412 ' HB3' ' O ' ' A' ' 5' ' ' LEU . 47.6 t 72.85 142.65 0.09 OUTLIER Pre-proline 0 C--O 1.236 0.353 0 CA-C-N 115.627 -0.715 . . . . 20.0 111.633 175.037 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -75.21 51.81 2.96 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.925 2.417 . . . . 20.0 111.239 173.555 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.479 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 19.9 ttt -152.22 175.62 12.43 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.939 -1.134 . . . . 20.0 107.939 -177.166 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.479 ' HB ' ' O ' ' A' ' 8' ' ' MET . 90.4 t 74.29 132.34 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 CA-C-O 121.086 0.47 . . . . 20.0 110.258 -177.224 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.0 m -62.82 124.84 22.07 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.544 . . . . 20.0 111.414 -176.821 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 11' ' ' GLU . 0.7 OUTLIER -90.93 136.89 32.77 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.477 -0.564 . . . . 20.0 109.477 173.767 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.472 ' H ' HG12 ' A' ' 15' ' ' ILE . 51.7 m-85 -115.28 163.55 15.52 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.447 -0.342 . . . . 20.0 110.845 -173.874 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -61.48 -38.51 87.53 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.081 0.467 . . . . 20.0 110.101 178.439 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.404 ' HB ' ' HB2' ' A' ' 17' ' ' GLN . 17.6 p -131.17 83.31 2.1 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.922 -0.581 . . . . 20.0 110.158 174.237 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.472 HG12 ' H ' ' A' ' 12' ' ' PHE . 55.7 mt -64.14 -42.07 94.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.971 -0.559 . . . . 20.0 110.679 -179.463 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -56.61 -40.01 74.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.723 -0.671 . . . . 20.0 110.2 179.146 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HB2' ' HB ' ' A' ' 14' ' ' THR . 3.5 tp-100 -55.77 -43.17 76.47 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.142 -0.481 . . . . 20.0 110.287 178.458 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -70.12 -38.64 75.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.921 -0.581 . . . . 20.0 110.061 179.411 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.99 -30.31 71.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.302 -0.408 . . . . 20.0 111.007 179.246 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 33.2 t -77.09 -52.04 10.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.389 -0.369 . . . . 20.0 111.253 -178.688 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -92.97 -49.17 6.16 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.333 0.494 . . . . 20.0 112.333 -173.279 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -74.93 -12.11 60.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 112.064 0.394 . . . . 20.0 112.064 -169.414 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -58.3 -36.55 73.5 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.059 0.457 . . . . 20.0 110.454 179.266 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 95.9 m95 -87.16 -27.45 23.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.142 0.496 . . . . 20.0 110.827 178.788 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 63.8 tp -71.19 -30.3 66.24 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.818 -0.628 . . . . 20.0 110.461 178.919 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 tpp180 -54.91 -30.7 58.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.712 -0.676 . . . . 20.0 111.43 -176.5 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.97 -39.79 25.47 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.041 0.448 . . . . 20.0 111.077 179.387 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.515 ' O ' HG22 ' A' ' 31' ' ' THR . 57.8 tttp -79.88 -29.02 39.87 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.179 -0.464 . . . . 20.0 111.025 -174.725 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.2 p -78.07 -15.18 14.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.113 0.482 . . . . 20.0 110.408 179.474 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.37 -12.45 21.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.63 . . . . 20.0 111.572 -176.66 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.515 HG22 ' O ' ' A' ' 28' ' ' LYS . 14.7 t -84.73 55.92 3.65 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 122.311 1.053 . . . . 20.0 110.979 -177.326 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t -149.91 146.9 27.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.364 -0.835 . . . . 20.0 109.322 178.241 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.4 tp 60.49 93.77 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.465 0.478 . . . . 20.0 110.067 -176.361 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 60.66 49.85 6.07 Favored 'General case' 0 N--CA 1.463 0.177 0 N-CA-C 108.681 -0.859 . . . . 20.0 108.681 -169.653 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -63.02 120.39 60.71 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.487 -1.233 . . . . 20.0 112.772 -169.088 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.514 ' HD2' ' HA ' ' A' ' 31' ' ' THR . 73.4 Cg_endo -78.21 151.67 26.84 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.477 2.118 . . . . 20.0 110.942 169.304 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 21.7 mmt180 -90.05 121.09 69.13 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 116.452 -0.34 . . . . 20.0 110.558 179.224 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.26 114.83 2.15 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.615 2.21 . . . . 20.0 111.649 177.478 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.05 139.92 57.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.94 -0.573 . . . . 20.0 111.429 -176.556 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -82.69 125.86 74.73 Favored Pre-proline 0 C--N 1.32 -0.706 0 CA-C-N 115.556 -0.747 . . . . 20.0 108.998 175.222 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_endo -54.45 127.83 27.62 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 123.016 2.477 . . . . 20.0 112.351 -176.341 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -64.4 -25.12 67.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.925 -0.58 . . . . 20.0 110.665 -176.49 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.574 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 32.6 t70 -65.62 -40.26 92.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.515 -0.311 . . . . 20.0 110.343 177.235 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -63.2 -39.83 95.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.972 0.415 . . . . 20.0 109.979 177.37 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 99.5 t -63.77 -38.64 82.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.6 -0.727 . . . . 20.0 110.451 177.858 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -67.3 -36.6 81.85 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.164 -0.471 . . . . 20.0 110.351 177.458 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.574 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 49.7 mtm-85 -69.07 -28.35 66.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.124 0.487 . . . . 20.0 109.744 176.137 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -75.47 -36.4 60.66 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.614 -0.721 . . . . 20.0 109.991 179.108 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.06 -34.59 75.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.131 176.524 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.41 -29.72 64.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.824 -0.625 . . . . 20.0 110.878 176.523 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -67.43 -22.22 65.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.597 -0.729 . . . . 20.0 110.664 -179.261 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.519 ' O ' ' HG2' ' A' ' 56' ' ' MET . 10.6 mpt_? -76.02 -47.69 23.87 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.721 -0.474 . . . . 20.0 109.721 174.959 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -62.48 -34.27 76.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.939 -0.573 . . . . 20.0 110.794 179.575 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.25 -35.49 77.41 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.946 -0.57 . . . . 20.0 111.081 177.428 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -82.01 -26.14 34.09 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.104 -0.498 . . . . 20.0 110.409 178.958 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.523 ' HE2' ' HA ' ' A' ' 56' ' ' MET . 30.6 mmt -70.06 -27.8 64.92 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.029 -0.532 . . . . 20.0 110.079 176.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -67.16 -14.99 63.44 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.722 -0.672 . . . . 20.0 110.759 179.333 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.3 16.7 1.52 Allowed 'General case' 0 C--O 1.234 0.275 0 CA-C-N 116.326 -0.397 . . . . 20.0 111.187 -179.366 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 62.14 43.05 9.02 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.431 0.634 . . . . 20.0 109.911 -177.782 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.9 tpp180 -82.05 86.26 6.6 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.171 -0.922 . . . . 20.0 110.521 -177.146 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 62' ' ' LYS . 33.1 m -81.46 85.29 6.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.179 -0.464 . . . . 20.0 109.853 176.879 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 61' ' ' SER . 4.2 mppt? 71.56 -55.57 0.65 Allowed 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.68 0.792 . . . . 20.0 111.109 -175.204 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.1 tp-100 . . . . . 0 C--O 1.245 0.853 0 CA-C-O 118.692 -0.671 . . . . 20.0 109.949 178.992 . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 88.1 mtp . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.729 0.299 . . . . 20.0 110.265 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -89.97 151.22 21.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.983 -0.553 . . . . 20.0 110.011 178.465 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . 0.422 ' O ' ' HB2' ' A' ' -4' ' ' LYS . 54.3 m-85 -90.15 -177.86 5.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.153 -0.476 . . . . 20.0 110.536 179.964 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.422 ' HB2' ' O ' ' A' ' -5' ' ' TYR . 14.2 mmmm 71.57 53.58 0.22 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.606 0.717 . . . . 20.0 109.172 -172.679 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -153.76 -37.62 0.1 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.599 -1.182 . . . . 20.0 109.481 -178.591 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -70.08 -28.77 65.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.561 -0.745 . . . . 20.0 110.515 178.855 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.87 77.76 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.622 0.725 . . . . 20.0 110.738 177.439 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -65.37 -43.77 89.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.595 -0.73 . . . . 20.0 110.856 -179.702 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 4' ' ' ALA . 12.8 mptt -83.25 0.98 43.13 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.881 -0.6 . . . . 20.0 111.047 -177.441 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 67.21 72.8 0.35 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.49 -0.777 . . . . 20.0 111.067 177.058 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 mmm180 64.06 31.49 13.48 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.669 -0.696 . . . . 20.0 111.737 176.605 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.461 ' HB3' ' HB3' ' A' ' 1' ' ' LYS . . . -119.26 80.62 1.59 Allowed 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.517 -0.549 . . . . 20.0 109.517 176.29 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.8 mt -52.41 101.76 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.406 -0.816 . . . . 20.0 111.844 -174.371 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.7 m -130.48 75.36 79.14 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.715 -0.675 . . . . 20.0 109.316 176.91 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -72.5 108.85 2.62 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.989 2.459 . . . . 20.0 112.833 -173.489 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.8 mmt -112.02 138.71 48.28 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.867 -0.606 . . . . 20.0 109.426 173.209 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.9 t 53.31 53.87 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 122.012 0.911 . . . . 20.0 109.25 -174.049 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 56.8 m -151.27 32.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.815 -1.084 . . . . 20.0 109.886 179.646 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 57.81 61.28 2.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.069 -0.969 . . . . 20.0 110.73 -178.019 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -84.77 46.18 1.23 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.637 0.732 . . . . 20.0 111.339 -176.2 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -115.18 -38.22 3.9 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.347 -0.842 . . . . 20.0 108.878 174.443 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.9 p -112.71 61.62 0.63 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.27 -0.877 . . . . 20.0 109.805 176.615 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.661 HD12 ' H ' ' A' ' 15' ' ' ILE . 4.6 mp -62.7 -42.74 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.683 -0.69 . . . . 20.0 110.726 -173.352 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -39.65 95.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.868 0.366 . . . . 20.0 110.485 -178.134 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -68.08 -39.54 82.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.902 -0.59 . . . . 20.0 110.768 -178.771 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -75.8 -37.73 58.88 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.16 -0.473 . . . . 20.0 110.486 -179.554 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -69.14 -48.18 63.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.185 -0.461 . . . . 20.0 110.873 -176.959 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.5 m -64.18 -34.56 78.36 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.75 0.31 . . . . 20.0 110.943 -179.116 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -70.78 -44.29 66.95 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.914 -0.402 . . . . 20.0 109.914 177.738 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -62.46 -39.72 94.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.969 -0.56 . . . . 20.0 110.741 178.986 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -55.97 -37.43 69.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.521 -0.763 . . . . 20.0 111.036 -179.431 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 84.5 t90 -90.34 -39.66 12.58 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.335 -0.393 . . . . 20.0 110.776 179.917 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.9 tp -62.18 -25.42 67.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.245 -0.434 . . . . 20.0 111.773 -174.759 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 26' ' ' ARG . 22.9 ptt85 -58.6 -24.64 61.4 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.839 0.352 . . . . 20.0 110.844 179.532 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.06 63.64 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.236 -0.438 . . . . 20.0 110.178 177.093 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -66.24 -39.25 89.38 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.222 -0.445 . . . . 20.0 110.422 -179.778 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.8 t -60.27 -44.27 95.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.688 -0.687 . . . . 20.0 111.485 178.508 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.36 -79.42 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.444 -0.343 . . . . 20.0 111.637 -176.357 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 49.2 m -151.63 118.62 5.85 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 110.249 -0.278 . . . . 20.0 110.249 179.848 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 m -88.05 39.69 0.91 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.26 0.552 . . . . 20.0 110.811 -177.214 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 60.3 tp -160.67 137.8 9.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.722 -0.672 . . . . 20.0 109.635 -178.512 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.07 95.84 4.97 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.784 0.326 . . . . 20.0 110.169 177.077 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.2 p-10 -69.53 136.86 88.32 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.927 -0.578 . . . . 20.0 110.861 -176.913 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -76.81 92.36 1.11 Allowed 'Trans proline' 0 N--CA 1.464 -0.259 0 C-N-CA 122.946 2.43 . . . . 20.0 112.937 -177.781 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.432 ' HA ' ' HD2' ' A' ' 38' ' ' PRO . 44.9 ttp180 62.89 91.53 0.08 OUTLIER Pre-proline 0 C--O 1.235 0.311 0 CA-C-N 115.626 -0.716 . . . . 20.0 111.97 175.073 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 37' ' ' ARG . 4.1 Cg_endo -50.5 138.07 39.68 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.225 1.95 . . . . 20.0 110.815 170.071 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.99 110.9 0.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.356 0.598 . . . . 20.0 112.208 -174.242 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 49.6 mt -88.7 126.0 61.17 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.082 -0.963 . . . . 20.0 110.121 -178.887 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.469 ' O ' HG23 ' A' ' 45' ' ' VAL . 50.6 Cg_exo -51.59 133.97 45.31 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.48 2.12 . . . . 20.0 110.987 174.548 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -63.17 -23.92 67.65 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 112.644 0.609 . . . . 20.0 112.644 -170.655 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -77.96 -32.2 51.28 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.408 0.623 . . . . 20.0 109.921 176.162 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -81.58 -23.97 36.79 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.439 -0.801 . . . . 20.0 110.377 -178.873 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 41' ' ' PRO . 72.1 t -55.86 -36.58 44.24 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.24 0 CA-C-N 116.184 -0.462 . . . . 20.0 110.771 176.146 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -59.2 -33.64 71.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.157 0.503 . . . . 20.0 110.64 179.069 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.559 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 3.3 mmp_? -84.47 -40.83 17.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.051 -0.522 . . . . 20.0 110.889 178.405 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -74.2 -20.59 60.14 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.028 -0.533 . . . . 20.0 111.097 -176.295 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 54.0 tpp -63.33 -28.94 70.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.346 -0.388 . . . . 20.0 110.7 179.565 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.2 -25.53 67.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.299 0.571 . . . . 20.0 110.677 176.888 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -92.17 -34.42 14.32 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.68 . . . . 20.0 111.093 175.878 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.471 ' HA ' ' NE ' ' A' ' 52' ' ' ARG . 5.7 mmp_? -82.31 -17.91 44.12 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.796 0.665 . . . . 20.0 112.796 -172.528 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -63.21 -17.65 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.246 0.546 . . . . 20.0 110.592 -179.485 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.424 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -67.7 -9.96 48.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.455 -0.793 . . . . 20.0 111.609 179.709 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 48.3 mtmt -79.17 -24.76 43.03 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.761 0.315 . . . . 20.0 110.505 176.685 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.537 ' HA ' ' O ' ' A' ' 59' ' ' GLU . 27.1 ttt -68.87 -22.49 64.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 20.0 111.7 -172.566 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 15.6 ptm180 -75.87 -17.32 59.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.149 0.5 . . . . 20.0 110.421 176.877 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -96.78 -52.83 3.75 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.858 -0.61 . . . . 20.0 109.52 177.784 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.537 ' O ' ' HA ' ' A' ' 56' ' ' MET . 75.0 mm-40 -131.55 135.83 47.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.503 -0.771 . . . . 20.0 109.913 -179.772 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -99.24 13.62 32.42 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.373 0.606 . . . . 20.0 110.021 179.858 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.1 p -80.72 63.27 5.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.639 -0.709 . . . . 20.0 111.2 -178.826 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -87.68 -5.41 58.71 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.462 0.649 . . . . 20.0 109.673 177.396 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.333 -0.842 . . . . 20.0 110.082 178.487 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 90.5 mtp . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 120.692 0.282 . . . . 20.0 110.819 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . 0.491 ' HB2' ' HA ' ' A' ' -2' ' ' ASP . 4.6 m-20 -135.37 159.0 42.96 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.858 0.361 . . . . 20.0 110.54 -179.517 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -80.14 -19.22 47.75 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.75 -0.659 . . . . 20.0 110.119 -179.606 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 15.2 ptmm? -150.64 140.98 22.34 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.334 -0.848 . . . . 20.0 108.836 175.357 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 59.22 58.27 3.13 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.244 0.545 . . . . 20.0 109.761 -176.747 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.491 ' HA ' ' HB2' ' A' ' -6' ' ' ASP . 32.5 t70 -61.1 -45.73 93.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.154 -0.93 . . . . 20.0 112.336 -173.323 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -77.8 139.92 39.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.175 -0.466 . . . . 20.0 110.817 -177.17 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -85.12 -8.25 58.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.148 -0.478 . . . . 20.0 110.853 -178.148 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -66.39 -14.3 61.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.952 -0.567 . . . . 20.0 111.211 -179.776 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.3 t30 53.08 81.15 0.09 Allowed 'General case' 0 C--O 1.237 0.443 0 O-C-N 123.607 0.567 . . . . 20.0 111.738 171.857 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 -87.47 89.34 7.96 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.834 -0.621 . . . . 20.0 109.669 177.13 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.92 61.5 4.55 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.924 -0.58 . . . . 20.0 110.899 -178.072 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.03 131.91 44.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.766 -0.652 . . . . 20.0 109.886 178.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -116.73 86.27 18.7 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 116.412 -0.358 . . . . 20.0 110.191 -179.92 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -77.19 -18.34 14.35 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.178 1.919 . . . . 20.0 111.727 179.217 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -74.58 -2.36 25.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.196 -178.069 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 13.4 p -59.8 -28.06 39.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 121.423 0.63 . . . . 20.0 109.788 174.672 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.0 t -154.87 71.63 0.81 Allowed 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.391 -0.822 . . . . 20.0 109.169 176.2 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -73.22 125.39 27.63 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.617 -0.72 . . . . 20.0 111.466 -174.847 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -133.06 62.64 1.65 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.737 -0.665 . . . . 20.0 109.332 173.956 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -112.16 148.95 32.94 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.418 -0.81 . . . . 20.0 110.245 -177.959 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 t -76.4 113.03 13.54 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-O 121.304 0.573 . . . . 20.0 110.085 176.476 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.624 ' HA ' ' HB2' ' A' ' 19' ' ' ASN . 33.9 pt -103.16 34.64 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.5 0.667 . . . . 20.0 110.324 179.363 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -90.52 -52.9 4.67 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.133 -0.94 . . . . 20.0 113.048 -170.657 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -92.5 -73.28 0.56 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.783 0.661 . . . . 20.0 112.783 -175.203 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -91.69 -38.53 12.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.38 0.61 . . . . 20.0 110.958 -174.139 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.624 ' HB2' ' HA ' ' A' ' 15' ' ' ILE . 29.7 m-20 -65.02 -14.93 61.65 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 115.286 -0.87 . . . . 20.0 111.959 -174.532 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.4 m -57.99 -38.63 76.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.762 0.315 . . . . 20.0 111.184 178.99 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -88.66 -29.1 20.17 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.575 -0.528 . . . . 20.0 109.575 179.213 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' HB3' ' HA ' ' A' ' 19' ' ' ASN . 28.0 t-20 -62.98 -24.99 68.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.667 -0.697 . . . . 20.0 110.532 178.102 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 19' ' ' ASN . 39.6 mt-10 -50.77 -43.91 58.54 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.49 -0.323 . . . . 20.0 111.528 177.988 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 6.1 m-90 -74.48 -38.74 62.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.512 -0.313 . . . . 20.0 110.995 -179.011 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -66.04 -42.57 89.4 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.657 -0.498 . . . . 20.0 109.657 179.811 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -62.32 -45.79 91.63 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.451 -0.795 . . . . 20.0 110.678 -178.831 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.6 -24.64 65.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.092 0.472 . . . . 20.0 111.252 -179.899 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -79.89 -48.32 13.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.849 -0.614 . . . . 20.0 110.631 -179.28 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 95.7 t -69.91 -49.54 55.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.378 -0.374 . . . . 20.0 110.761 179.923 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.42 84.46 7.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.203 0.525 . . . . 20.0 110.34 -179.548 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 20.0 m -81.62 97.83 8.06 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.839 -0.619 . . . . 20.0 110.455 -179.13 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 44.5 t -85.0 145.58 27.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.146 -0.479 . . . . 20.0 110.508 -178.216 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -124.21 31.73 5.71 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.914 -0.585 . . . . 20.0 110.196 179.105 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 64.43 85.05 0.14 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.033 -0.985 . . . . 20.0 110.835 -179.073 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -63.46 114.98 14.85 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.371 -0.831 . . . . 20.0 110.551 -178.5 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -84.19 -7.95 9.94 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.957 2.438 . . . . 20.0 113.901 -173.301 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.426 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 29.7 ptt180 -83.46 133.07 47.83 Favored Pre-proline 0 C--N 1.325 -0.485 0 C-N-CA 120.77 -0.372 . . . . 20.0 110.494 -177.302 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 37' ' ' ARG . 26.0 Cg_exo -63.47 118.66 5.58 Favored 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.563 2.175 . . . . 20.0 111.833 176.21 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -93.7 140.37 29.72 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.049 -0.523 . . . . 20.0 110.323 178.226 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 53.0 mt -93.42 119.27 67.49 Favored Pre-proline 0 C--N 1.321 -0.648 0 N-CA-C 109.701 -0.481 . . . . 20.0 109.701 177.254 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -51.18 119.85 5.97 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.991 2.461 . . . . 20.0 112.236 178.741 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.519 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 8.4 p-80 -73.21 -16.47 61.41 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.931 -0.308 . . . . 20.0 110.313 179.718 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.486 ' O ' ' HD3' ' A' ' 47' ' ' ARG . 11.0 m-20 -59.33 -40.3 85.91 Favored 'General case' 0 N--CA 1.461 0.125 0 N-CA-C 109.646 -0.501 . . . . 20.0 109.646 174.39 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.49 ' O ' ' HG3' ' A' ' 48' ' ' ARG . 14.6 tp10 -52.56 -45.73 66.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.559 -0.746 . . . . 20.0 110.334 175.776 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.9 t -67.02 -46.48 84.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.52 -0.763 . . . . 20.0 111.229 -178.91 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 38.8 mt-10 -61.35 -40.15 93.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 20.0 111.535 -177.165 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HD3' ' O ' ' A' ' 43' ' ' ASP . 3.4 mpt_? -68.39 -21.44 64.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.753 0.311 . . . . 20.0 110.942 178.551 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 92.9 mtt180 -83.3 -40.61 19.28 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.766 -0.457 . . . . 20.0 109.766 176.627 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 24.2 mmt -70.46 -21.0 62.84 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.756 178.571 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -55.7 -34.82 65.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.018 -0.537 . . . . 20.0 111.106 176.892 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -72.08 -26.51 62.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.03 -0.532 . . . . 20.0 110.751 179.617 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 26.1 mmm180 -84.45 -25.82 28.67 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.865 -0.607 . . . . 20.0 109.561 -179.25 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -65.54 -14.63 61.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.27 -0.877 . . . . 20.0 110.385 176.804 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.51 -26.66 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.077 -0.51 . . . . 20.0 110.493 175.226 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 84.5 mttt -69.51 -25.84 64.24 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.921 -0.581 . . . . 20.0 110.762 177.479 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 96.4 mmm -73.05 -13.98 61.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.108 0.48 . . . . 20.0 110.451 179.797 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.471 ' HD2' ' HA ' ' A' ' 57' ' ' ARG . 14.2 tpt180 -81.27 -20.31 41.15 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 109.152 -0.684 . . . . 20.0 109.152 175.111 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -85.74 -45.21 11.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.433 -0.803 . . . . 20.0 109.082 171.929 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -76.78 80.43 3.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.712 -0.676 . . . . 20.0 109.658 175.202 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.6 ptt180 -72.34 -7.52 50.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.956 -0.565 . . . . 20.0 111.199 -177.183 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.7 t -121.84 152.85 39.1 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.263 -1.014 . . . . 20.0 108.263 172.977 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 35.3 ttpt -99.54 4.77 46.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.279 0.561 . . . . 20.0 110.156 -176.57 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.403 -0.808 . . . . 20.0 109.608 177.406 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 55.9 ttm . . . . . 0 N--CA 1.481 1.107 0 CA-C-O 121.173 0.511 . . . . 20.0 110.21 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -140.6 79.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.99 -0.55 . . . . 20.0 110.575 179.816 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -122.61 135.88 54.73 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.243 -0.435 . . . . 20.0 110.087 177.967 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 48.9 pttt -130.62 165.19 23.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.078 -0.51 . . . . 20.0 110.035 178.949 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 31.0 t70 59.93 80.76 0.19 Allowed 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.475 0.655 . . . . 20.0 111.179 -177.645 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -85.01 -69.18 0.67 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.868 -0.606 . . . . 20.0 109.713 177.129 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -166.35 -78.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.803 0.335 . . . . 20.0 110.782 174.767 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . 0.465 ' HA ' ' HB3' ' A' ' 3' ' ' ARG . 2.3 m-20 -69.31 -21.08 63.88 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.213 -0.449 . . . . 20.0 111.998 -175.488 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 54.6 mtpt -65.83 -20.17 66.15 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.267 -0.424 . . . . 20.0 111.388 -178.991 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.7 m-80 -109.59 -32.39 7.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.97 0.414 . . . . 20.0 109.986 171.003 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.465 ' HB3' ' HA ' ' A' ' 0' ' ' ASP . 29.0 tpt180 -80.02 64.82 4.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.783 0.801 . . . . 20.0 109.823 175.635 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.31 33.88 2.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.445 -0.798 . . . . 20.0 109.873 177.559 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.4 mp -102.29 121.84 43.06 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.407 -0.815 . . . . 20.0 110.383 -177.306 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.9 t -124.78 95.79 41.81 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.345 -0.613 . . . . 20.0 109.345 177.461 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_exo -66.89 89.73 0.3 Allowed 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.893 2.395 . . . . 20.0 112.266 -178.687 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.1 ptm -90.87 148.68 22.33 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.674 -0.491 . . . . 20.0 109.674 177.002 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 m -117.99 135.27 58.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 121.026 0.441 . . . . 20.0 110.555 179.859 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.1 m -133.52 130.65 38.79 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.45 -0.574 . . . . 20.0 109.45 178.01 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 57.65 60.15 2.94 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.67 0.606 . . . . 20.0 109.633 -176.082 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.438 ' HA ' HD13 ' A' ' 15' ' ' ILE . 45.6 t80 -72.98 79.29 1.18 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.227 -0.897 . . . . 20.0 110.222 -179.172 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -132.15 -55.57 0.98 Allowed 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.18 -0.464 . . . . 20.0 110.999 -178.953 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 36.9 p -91.86 35.87 0.97 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.189 0.519 . . . . 20.0 111.314 -179.702 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.637 HG22 ' H ' ' A' ' 17' ' ' GLN . 1.9 mp -104.06 128.53 57.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.088 -0.505 . . . . 20.0 110.21 -176.665 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 43.5 mt-10 -66.09 -12.62 56.74 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.57 -0.741 . . . . 20.0 112.094 -173.479 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.637 ' H ' HG22 ' A' ' 15' ' ' ILE . 27.3 tt0 -65.15 -21.4 66.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.92 0.391 . . . . 20.0 110.812 178.721 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -81.73 -28.05 33.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.365 0.602 . . . . 20.0 109.654 175.915 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.426 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 17.0 m120 -73.11 -14.96 61.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.298 -0.865 . . . . 20.0 110.117 178.583 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.0 m -63.33 -19.96 65.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.841 -0.618 . . . . 20.0 110.48 176.046 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.473 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 45.4 t80 -65.24 -50.91 64.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.545 -0.298 . . . . 20.0 110.58 177.858 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.498 ' HA ' HD12 ' A' ' 25' ' ' LEU . 2.8 p-10 -71.76 -22.48 61.59 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.036 0.446 . . . . 20.0 110.09 178.91 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 26' ' ' ARG . 7.1 tp10 -61.66 -39.78 92.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.771 -0.649 . . . . 20.0 109.978 173.025 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 76.5 m95 -75.88 -29.52 58.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.336 . . . . 20.0 111.007 176.47 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' ' 22' ' ' ASN . 96.5 mt -67.22 -43.53 81.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.53 -0.305 . . . . 20.0 111.015 -178.972 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.446 ' HD2' ' C ' ' A' ' 26' ' ' ARG . 4.5 ppt_? -66.97 -20.82 65.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.226 0.536 . . . . 20.0 110.35 178.26 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -79.22 -21.6 46.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.842 -0.617 . . . . 20.0 110.878 177.78 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -73.71 -46.82 43.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 20.0 110.268 179.44 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.8 p -69.05 -40.35 80.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.041 176.915 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 47.6 55.37 8.47 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 113.018 0.747 . . . . 20.0 113.018 172.437 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.2 p -87.19 -82.41 0.21 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.881 0.372 . . . . 20.0 110.03 174.924 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.1 m -129.61 12.81 5.9 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.655 0.741 . . . . 20.0 109.247 173.51 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.8 mt -87.73 88.09 7.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.941 -1.027 . . . . 20.0 110.702 -177.568 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.0 65.59 0.78 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.534 -0.757 . . . . 20.0 109.284 175.53 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 28.3 t70 -85.15 118.68 71.33 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.673 -0.694 . . . . 20.0 110.834 -175.294 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 12.0 Cg_exo -70.44 88.76 0.61 Allowed 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.482 2.121 . . . . 20.0 111.106 174.357 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.617 ' N ' ' HD2' ' A' ' 38' ' ' PRO . 15.0 ptm180 -62.85 -36.26 24.44 Favored Pre-proline 0 CA--C 1.543 0.673 0 N-CA-C 113.538 0.94 . . . . 20.0 113.538 -177.093 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.617 ' HD2' ' N ' ' A' ' 37' ' ' ARG . 17.8 Cg_endo -58.9 128.65 28.72 Favored 'Trans proline' 0 C--N 1.365 1.423 0 CA-C-N 120.773 1.312 . . . . 20.0 111.967 179.07 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.4 94.35 2.55 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.323 -0.399 . . . . 20.0 109.978 177.29 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 pt -136.39 118.36 11.69 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.931 -0.577 . . . . 20.0 111.209 -177.465 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.474 ' O ' HG23 ' A' ' 45' ' ' VAL . 39.7 Cg_exo -60.35 128.87 27.57 Favored 'Trans proline' 0 CA--C 1.528 0.22 0 C-N-CA 122.63 2.22 . . . . 20.0 111.204 177.361 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -60.19 -26.21 66.17 Favored 'General case' 0 N--CA 1.468 0.437 0 N-CA-C 111.897 0.332 . . . . 20.0 111.897 -174.068 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -80.84 -21.27 40.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.959 0.409 . . . . 20.0 110.437 179.96 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -89.27 -33.74 16.85 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.918 -0.583 . . . . 20.0 110.093 178.221 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.477 HG13 ' HB2' ' A' ' 49' ' ' MET . 86.2 t -58.73 -40.32 79.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.06 -0.518 . . . . 20.0 110.155 175.688 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -59.82 -23.5 63.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.388 -0.824 . . . . 20.0 110.937 179.357 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 59.8 mtp180 -83.98 -69.03 0.67 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.364 -0.38 . . . . 20.0 111.404 -178.047 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 28.4 tpt180 -90.67 -39.09 12.66 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.668 0.618 . . . . 20.0 112.668 -171.353 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.477 ' HB2' HG13 ' A' ' 45' ' ' VAL . 82.9 mtp -89.6 -16.31 30.84 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 112.906 0.706 . . . . 20.0 112.906 -171.914 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -39.56 -58.77 1.22 Allowed 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 113.666 0.987 . . . . 20.0 113.666 -173.422 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.547 ' O ' ' HG3' ' A' ' 55' ' ' LYS . 33.9 mt-10 -72.58 -32.5 66.05 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.664 -0.414 . . . . 20.0 111.164 -175.945 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 20.7 tpt180 -62.25 -40.88 97.64 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.264 0.554 . . . . 20.0 109.759 175.796 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.436 ' O ' ' HG2' ' A' ' 56' ' ' MET . 79.6 t80 -69.5 -37.26 77.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.387 -0.824 . . . . 20.0 110.091 178.321 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -62.97 -40.37 97.5 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.955 -0.566 . . . . 20.0 110.941 177.761 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 99.5 mttt -62.98 -36.0 82.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.341 -0.39 . . . . 20.0 111.689 -179.348 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.436 ' HG2' ' O ' ' A' ' 53' ' ' PHE . 21.7 ptp -85.53 -19.69 30.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.749 0.309 . . . . 20.0 110.82 -178.67 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -83.32 -42.82 16.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.035 -0.53 . . . . 20.0 110.09 178.973 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -78.39 63.39 3.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.802 -0.635 . . . . 20.0 110.145 177.593 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -103.92 3.88 34.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.824 -179.433 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -91.45 54.99 2.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.007 -0.542 . . . . 20.0 109.545 178.644 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.0 m -67.07 89.43 0.18 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.32 -0.854 . . . . 20.0 111.496 -176.374 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 52.0 pttt -88.27 71.43 9.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.407 0.622 . . . . 20.0 110.897 179.124 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.116 -0.945 . . . . 20.0 110.273 178.009 . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 25.8 mmt . . . . . 0 N--CA 1.482 1.142 0 N-CA-C 110.138 -0.319 . . . . 20.0 110.138 . . . . . . . . . 0 0 . 1 . 044 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -131.43 171.66 13.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.017 -0.538 . . . . 20.0 111.086 -174.355 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 65.62 159.32 0.11 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.921 0.763 . . . . 20.0 112.26 -179.026 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -105.32 -22.17 13.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.512 -0.767 . . . . 20.0 110.774 -177.797 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 49.88 77.15 0.12 Allowed 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.625 0.578 . . . . 20.0 111.182 177.024 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -62.48 -60.41 3.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.334 -0.393 . . . . 20.0 110.5 179.098 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 4.5 t70 59.21 -166.22 0.18 Allowed 'General case' 0 CA--C 1.535 0.395 0 O-C-N 123.749 0.656 . . . . 20.0 110.362 178.303 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -78.73 -65.28 1.01 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.165 -0.334 . . . . 20.0 110.877 179.754 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -91.95 -60.97 1.73 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.291 0.567 . . . . 20.0 109.807 179.664 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -147.32 -50.97 0.19 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.284 -0.871 . . . . 20.0 109.42 179.806 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 29.8 ptt180 -172.98 133.35 0.54 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.49 -0.777 . . . . 20.0 110.152 175.213 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.3 -12.73 45.68 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.093 -0.503 . . . . 20.0 109.95 175.495 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 23.7 tp 46.46 74.55 0.14 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 124.203 0.94 . . . . 20.0 111.607 174.023 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.6 m -79.01 111.53 20.7 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.792 -0.64 . . . . 20.0 110.152 177.991 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -73.4 120.25 6.41 Favored 'Trans proline' 0 N--CA 1.46 -0.46 0 C-N-CA 122.29 1.993 . . . . 20.0 112.379 -176.755 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 55.3 ttp -124.03 76.76 1.48 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.083 -0.71 . . . . 20.0 109.083 175.669 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.5 p -120.58 127.72 75.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.612 -0.722 . . . . 20.0 110.548 -175.849 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 24.3 p -90.42 152.91 20.77 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.058 -0.519 . . . . 20.0 110.566 -178.983 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -77.02 43.55 0.36 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.158 0.504 . . . . 20.0 111.219 -179.757 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -91.9 -8.95 44.94 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.921 -0.581 . . . . 20.0 109.723 -179.172 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -57.23 -38.22 73.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.32 -0.854 . . . . 20.0 111.308 -179.455 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.496 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 5.1 p -61.68 -54.37 43.56 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.192 -0.458 . . . . 20.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.59 -42.87 89.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 20.0 110.742 179.093 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -63.23 -33.38 75.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.731 0.3 . . . . 20.0 111.19 178.913 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -69.79 -35.99 75.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.028 0.442 . . . . 20.0 110.161 178.943 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 14' ' ' THR . 7.8 mm-40 -80.58 -38.27 29.77 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.958 -0.565 . . . . 20.0 110.437 -179.232 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 66.6 t30 -73.05 -14.79 61.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 20.0 110.339 -179.911 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 t -59.96 -17.5 38.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.459 -0.791 . . . . 20.0 111.583 -178.539 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.405 ' HD1' ' O ' ' A' ' 18' ' ' GLU . 16.0 p90 -55.48 -27.34 47.78 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.522 0.201 . . . . 20.0 111.45 -177.722 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 26' ' ' ARG . 92.1 m-20 -62.09 -28.68 69.79 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.315 -0.402 . . . . 20.0 111.349 179.804 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.498 ' CD ' HH22 ' A' ' 37' ' ' ARG . 46.8 mt-10 -64.05 -35.62 81.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.509 -0.314 . . . . 20.0 110.88 -177.829 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 21.1 m-90 -69.31 -29.12 66.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.448 -0.342 . . . . 20.0 110.623 176.985 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -70.55 -34.64 72.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 20.0 109.912 175.844 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 22' ' ' ASN . 12.3 mmp_? -73.08 -40.58 64.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.964 -0.562 . . . . 20.0 110.079 178.394 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.18 -22.09 63.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.875 -0.602 . . . . 20.0 110.899 178.715 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -64.13 -44.92 90.72 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.709 177.268 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 9.9 p -85.73 -15.64 10.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.327 -0.397 . . . . 20.0 110.121 179.09 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 46.54 62.13 2.46 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.639 -0.71 . . . . 20.0 112.541 171.788 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 2.7 m -117.12 30.94 7.03 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.203 0.525 . . . . 20.0 110.098 179.086 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 34.5 m 55.85 47.23 20.62 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.403 -0.817 . . . . 20.0 111.084 179.737 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.3 mt -99.88 94.75 6.47 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.926 -0.579 . . . . 20.0 110.338 -179.018 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.08 147.02 31.78 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.255 -0.43 . . . . 20.0 110.757 -179.579 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -101.88 107.88 53.98 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.302 -0.408 . . . . 20.0 110.281 178.205 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -62.09 100.7 0.21 Allowed 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.951 2.434 . . . . 20.0 112.221 178.671 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.498 HH22 ' CD ' ' A' ' 23' ' ' GLU . 73.8 mtm180 -137.0 155.8 76.07 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.652 -0.703 . . . . 20.0 109.68 -176.957 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -71.23 51.23 1.33 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.919 2.413 . . . . 20.0 112.325 175.22 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -141.91 143.56 33.35 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.376 -0.829 . . . . 20.0 109.476 -179.861 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.424 ' N ' HD12 ' A' ' 40' ' ' ILE . 4.3 mp -102.82 116.1 63.15 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.668 0.27 . . . . 20.0 110.812 -177.245 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -75.53 148.13 32.88 Favored 'Trans proline' 0 N--CA 1.462 -0.365 0 C-N-CA 122.523 2.149 . . . . 20.0 110.922 173.109 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -73.27 -9.36 58.63 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.668 -0.413 . . . . 20.0 110.849 -176.575 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -59.64 -52.45 65.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.272 -0.422 . . . . 20.0 110.823 176.134 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -75.33 -18.91 59.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.498 -0.319 . . . . 20.0 110.825 -177.949 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -63.21 -42.16 95.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.984 0.421 . . . . 20.0 110.149 176.068 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.2 tp10 -59.4 -33.46 71.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.552 -0.749 . . . . 20.0 110.467 176.935 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 6.9 tpm_? -83.1 -32.0 26.97 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.842 -0.617 . . . . 20.0 110.935 -179.18 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.7 ' O ' ' HG2' ' A' ' 51' ' ' GLU . 65.2 mtp180 -78.07 -16.97 57.56 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.521 -0.309 . . . . 20.0 111.497 -179.348 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 16.6 mmt -48.53 -35.26 12.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.709 -0.223 . . . . 20.0 111.452 177.567 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.68 -50.89 62.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 20.0 111.992 178.43 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.7 ' HG2' ' O ' ' A' ' 48' ' ' ARG . 11.6 pt-20 -67.96 -30.51 69.82 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.071 0.462 . . . . 20.0 110.373 -178.638 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 71.0 mtp180 -70.6 -32.91 70.44 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.036 -0.529 . . . . 20.0 110.423 179.208 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -72.54 -31.99 65.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.92 0.391 . . . . 20.0 110.228 175.628 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.92 -39.23 93.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.128 -0.487 . . . . 20.0 110.223 174.606 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.441 ' HG3' ' O ' ' A' ' 51' ' ' GLU . 48.3 mtpt -77.17 -19.75 56.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.975 -0.557 . . . . 20.0 110.442 176.837 . . . . . . . . 2 2 . 1 . 044 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 26.5 ttt -71.01 -21.49 62.28 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.046 -0.525 . . . . 20.0 110.004 177.405 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.5 mtt180 -71.19 -18.56 62.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.951 -0.568 . . . . 20.0 109.895 174.911 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 59.5 tttm 72.48 123.53 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 114.523 -1.217 . . . . 20.0 112.717 173.125 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -117.64 135.42 54.0 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.287 -0.869 . . . . 20.0 108.838 174.031 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -87.25 -87.55 0.14 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.747 0.308 . . . . 20.0 110.208 -176.638 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.2 p -161.61 -10.02 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.166 -0.47 . . . . 20.0 110.915 177.29 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 39.5 ttmt 60.49 87.78 0.09 Allowed 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.553 -0.748 . . . . 20.0 110.712 -178.079 . . . . . . . . 1 1 . 1 . 044 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.433 -0.794 . . . . 20.0 110.495 179.178 . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.871 0.367 . . . . 20.0 111.165 . . . . . . . . . 0 0 . 1 . 045 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -83.36 93.88 7.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.204 -0.453 . . . . 20.0 110.679 -175.721 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -148.17 76.84 1.39 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.366 0.603 . . . . 20.0 110.891 -179.354 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -123.85 22.75 8.84 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.707 -0.849 . . . . 20.0 108.707 171.792 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -59.33 -20.66 56.38 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 114.543 -1.208 . . . . 20.0 112.476 -174.464 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 0' ' ' ASP . 15.0 m-20 -61.66 -25.6 67.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.771 -0.195 . . . . 20.0 110.996 177.81 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 3.9 p30 54.83 -62.86 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 125.62 1.568 . . . . 20.0 113.847 179.403 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' -2' ' ' ASP . 33.7 t70 -63.5 -31.57 72.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.131 0.491 . . . . 20.0 110.744 179.548 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -80.77 -0.05 36.87 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.963 -0.562 . . . . 20.0 110.77 -179.312 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 47.4 m-80 -130.97 30.48 4.59 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 20.0 109.594 178.335 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 3' ' ' ARG . 13.4 ptm180 -76.94 133.16 39.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.809 -0.632 . . . . 20.0 110.114 -179.498 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -133.84 61.42 1.68 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.962 0.41 . . . . 20.0 110.626 -177.041 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.5 mp -82.01 64.39 6.67 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.733 0.777 . . . . 20.0 111.158 -177.251 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.51 ' HB3' ' HD2' ' A' ' 7' ' ' PRO . 7.5 m -85.42 175.7 4.31 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 114.805 -1.089 . . . . 20.0 108.307 172.693 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 6' ' ' SER . 87.1 Cg_exo -44.14 -58.96 1.23 Allowed 'Trans proline' 0 C--N 1.352 0.732 0 C-N-CA 121.987 1.791 . . . . 20.0 111.54 174.527 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 15.0 tpt 65.41 125.85 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 CA-C-O 121.447 0.641 . . . . 20.0 112.686 170.513 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.56 HG22 ' H ' ' A' ' 11' ' ' GLU . 14.9 p -56.1 139.82 14.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.879 -0.6 . . . . 20.0 110.088 175.521 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 t -69.55 -10.74 59.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.07 0.462 . . . . 20.0 110.946 -175.015 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.56 ' H ' HG22 ' A' ' 9' ' ' VAL . 41.6 mm-40 -90.86 62.26 4.94 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.948 -0.569 . . . . 20.0 109.621 174.338 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 17.9 p90 -82.52 73.24 9.57 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.841 0.829 . . . . 20.0 111.079 -177.975 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -81.68 -2.66 51.22 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.19 -0.914 . . . . 20.0 109.926 176.823 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 3.4 p -80.44 55.67 2.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.284 -0.871 . . . . 20.0 111.19 -179.218 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.405 HG12 ' H ' ' A' ' 15' ' ' ILE . 18.5 pt -89.83 169.8 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.334 -0.848 . . . . 20.0 110.721 -179.272 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -57.45 -36.77 71.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.75 0.31 . . . . 20.0 110.902 178.684 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -63.87 -29.15 70.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.113 -0.494 . . . . 20.0 111.191 179.425 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -60.97 -40.23 92.61 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.047 -0.353 . . . . 20.0 110.047 179.492 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -67.56 -24.77 65.56 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.995 -0.548 . . . . 20.0 110.705 -177.31 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 14.5 m -70.76 -41.58 71.57 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.979 -0.555 . . . . 20.0 110.136 177.44 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 43.6 m-85 -80.86 -30.78 35.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.031 -0.531 . . . . 20.0 110.268 -179.752 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.4 t-20 -54.82 -37.79 66.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.779 -0.646 . . . . 20.0 110.186 178.886 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.65 -45.17 95.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.074 -0.512 . . . . 20.0 110.839 179.752 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 8.4 m0 -77.83 -36.37 50.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.847 0.356 . . . . 20.0 110.801 -178.018 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -67.77 -26.72 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.902 0.382 . . . . 20.0 110.346 177.626 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -70.27 -24.23 63.02 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.98 -0.555 . . . . 20.0 110.249 178.495 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.91 -32.34 20.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.122 0.487 . . . . 20.0 110.527 178.249 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.2 mtpt -91.06 2.15 56.54 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.661 -0.699 . . . . 20.0 111.222 -177.843 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 8.0 p -56.12 -24.8 18.46 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 N-CA-C 112.356 0.502 . . . . 20.0 112.356 -173.621 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.86 66.67 2.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.216 0.531 . . . . 20.0 110.153 176.468 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.9 p -87.98 151.61 22.66 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.63 -0.714 . . . . 20.0 110.37 -178.944 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.8 t -90.17 38.77 0.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.265 0.555 . . . . 20.0 110.224 -177.363 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.3 mt -108.93 18.24 20.9 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.824 -0.626 . . . . 20.0 110.594 -179.285 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -106.46 95.16 5.56 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.889 -0.596 . . . . 20.0 110.666 -179.01 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.452 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 4.9 m-20 -74.08 140.91 77.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 116.244 -0.434 . . . . 20.0 110.277 178.682 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 7.5 Cg_exo -73.91 62.13 4.81 Favored 'Trans proline' 0 C--O 1.235 0.345 0 C-N-CA 122.747 2.298 . . . . 20.0 111.503 174.994 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 79.0 ttt180 -98.78 120.32 59.1 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.406 -0.816 . . . . 20.0 110.453 -176.545 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.9 54.94 4.24 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.829 2.353 . . . . 20.0 112.466 -179.673 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.3 176.65 8.22 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.481 -0.781 . . . . 20.0 109.619 179.396 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 72.7 mt -58.78 117.45 21.06 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-O 120.767 0.318 . . . . 20.0 110.222 175.765 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_endo -81.79 161.82 18.76 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.685 2.257 . . . . 20.0 112.362 -178.118 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -82.27 -1.1 48.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.366 0.603 . . . . 20.0 109.71 178.201 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.565 ' O ' ' HG2' ' A' ' 47' ' ' ARG . 8.6 m-20 -70.12 -15.65 63.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.295 -0.866 . . . . 20.0 110.206 177.295 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -60.15 -43.49 95.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.751 -0.658 . . . . 20.0 110.415 177.947 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.9 t -67.3 -38.09 80.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 121.466 0.65 . . . . 20.0 109.9 178.31 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -62.17 -30.81 71.32 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.962 -1.017 . . . . 20.0 111.26 179.362 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.565 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 5.3 mmp_? -56.15 -42.38 76.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.481 -0.327 . . . . 20.0 111.549 -176.723 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -65.37 -35.32 80.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.265 0.555 . . . . 20.0 110.28 -179.314 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 65.1 mtt -79.38 -25.96 42.07 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.211 -179.597 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.37 -31.59 72.45 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.817 -0.628 . . . . 20.0 110.316 175.02 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -69.53 -28.18 65.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.697 -0.683 . . . . 20.0 110.684 176.797 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 24.7 tpp180 -73.89 -40.67 63.03 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.356 -0.609 . . . . 20.0 109.356 175.195 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.8 t80 -66.16 -23.63 66.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.91 -0.586 . . . . 20.0 110.312 177.379 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.583 ' O ' ' HG2' ' A' ' 57' ' ' ARG . . . -64.11 -18.64 64.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.793 -0.64 . . . . 20.0 111.215 177.57 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -90.06 -21.82 22.13 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.168 0.509 . . . . 20.0 110.216 176.756 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -91.89 -2.42 56.84 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.853 -0.612 . . . . 20.0 111.368 178.737 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.583 ' HG2' ' O ' ' A' ' 54' ' ' ALA . 4.7 ptp180 -66.79 -27.75 67.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 20.0 110.787 -178.48 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -81.25 -15.58 55.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.132 0.492 . . . . 20.0 110.321 178.135 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -91.21 -49.43 6.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.627 -0.715 . . . . 20.0 109.999 -179.43 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -95.34 -85.25 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.926 -179.202 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.8 m -159.01 165.38 34.16 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.764 -0.458 . . . . 20.0 109.764 179.678 . . . . . . . . 1 1 . 1 . 045 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 57' ' ' ARG . 21.7 pttp -129.67 59.1 1.61 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.52 0.676 . . . . 20.0 110.472 178.511 . . . . . . . . 2 2 . 1 . 045 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 . . . . . 0 C--O 1.246 0.877 0 CA-C-O 118.348 -0.834 . . . . 20.0 110.471 -178.819 . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.869 0.366 . . . . 20.0 110.461 . . . . . . . . . 0 0 . 1 . 046 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -153.45 121.06 5.94 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.377 -0.601 . . . . 20.0 109.377 -179.606 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -90.29 165.73 13.74 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.881 -0.328 . . . . 20.0 110.988 -176.023 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 63.5 tttm 75.79 -46.01 0.55 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.932 0.77 . . . . 20.0 111.491 179.28 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -103.11 109.19 20.66 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.54 -0.541 . . . . 20.0 109.54 175.373 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -92.57 -65.08 1.03 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.865 -0.334 . . . . 20.0 111.25 -176.318 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -128.04 152.95 47.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.223 0.535 . . . . 20.0 111.053 -178.158 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -90.78 -4.92 56.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.685 -0.689 . . . . 20.0 111.255 -176.202 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -81.57 -2.96 51.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.33 0.586 . . . . 20.0 110.286 -178.2 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 40.4 m-80 -118.21 91.59 3.6 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.49 -0.777 . . . . 20.0 109.008 171.195 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -69.6 131.93 45.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.988 -0.551 . . . . 20.0 111.189 -175.353 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.15 -7.66 57.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.768 -0.651 . . . . 20.0 111.449 -178.127 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.413 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.0 mm? -88.52 40.81 0.98 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.471 0.653 . . . . 20.0 110.189 -179.146 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.0 m -153.71 142.2 14.28 Favored Pre-proline 0 C--N 1.32 -0.698 0 CA-C-N 115.293 -0.867 . . . . 20.0 109.13 178.736 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -72.6 71.61 3.18 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.538 2.159 . . . . 20.0 112.354 179.644 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.7 mtp -91.01 56.73 3.27 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.517 0.675 . . . . 20.0 110.09 -179.462 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.3 m -112.59 176.6 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 115.15 -0.932 . . . . 20.0 109.643 178.948 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.9 t 70.17 171.87 0.31 Allowed 'General case' 0 C--O 1.235 0.318 0 O-C-N 123.707 0.629 . . . . 20.0 110.285 -179.898 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -96.28 151.75 19.22 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.142 -0.481 . . . . 20.0 110.236 -178.202 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -87.41 49.51 1.83 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.304 0.573 . . . . 20.0 110.117 -179.368 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -151.17 142.94 23.78 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.102 -0.954 . . . . 20.0 109.075 -178.207 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.9 p 54.21 178.05 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.614 0 O-C-N 123.923 0.765 . . . . 20.0 111.989 -175.436 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 55.1 mt 64.54 77.01 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.238 0.47 0 CA-C-O 121.605 0.717 . . . . 20.0 109.673 -177.358 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -60.1 -31.81 70.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.375 -0.829 . . . . 20.0 111.746 -173.051 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -61.85 -44.54 96.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.766 0.317 . . . . 20.0 110.92 -178.036 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -78.77 -33.81 46.13 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.888 0.375 . . . . 20.0 110.479 -179.666 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.419 HD22 ' N ' ' A' ' 19' ' ' ASN . 0.9 OUTLIER -67.94 -20.57 65.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.089 -0.505 . . . . 20.0 111.032 179.332 . . . . . . . . 3 3 . 1 . 046 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.0 m -65.01 -34.61 78.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 20.0 110.648 177.1 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -78.04 -38.07 45.39 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.729 -0.471 . . . . 20.0 109.729 178.049 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -61.18 -40.94 95.8 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.967 -0.56 . . . . 20.0 109.868 175.267 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -58.52 -47.52 83.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.8 -0.636 . . . . 20.0 110.414 178.035 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -62.83 -42.33 99.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.608 -0.724 . . . . 20.0 111.034 -179.096 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.8 tp -73.67 -37.04 65.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.201 -0.454 . . . . 20.0 110.528 -178.587 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -68.28 -32.07 71.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.981 -0.554 . . . . 20.0 110.297 179.016 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -64.29 -24.63 67.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.881 -0.599 . . . . 20.0 111.414 -179.504 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 53.7 mtpt -67.56 -32.11 72.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 20.0 110.255 178.527 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -90.45 -51.9 11.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.205 -0.452 . . . . 20.0 110.364 177.72 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.25 76.8 1.47 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.989 -0.551 . . . . 20.0 110.108 179.876 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.8 m -76.95 89.67 3.52 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.822 -0.626 . . . . 20.0 110.676 -177.913 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.6 m -99.8 -20.04 16.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.925 -0.58 . . . . 20.0 110.663 179.882 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 63.2 tp -153.51 100.23 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.954 -0.566 . . . . 20.0 110.185 179.535 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -149.85 154.56 38.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.152 -0.477 . . . . 20.0 110.332 177.784 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -91.26 132.14 34.75 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.035 -0.529 . . . . 20.0 109.708 176.929 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -57.87 114.36 1.92 Allowed 'Trans proline' 0 C--O 1.235 0.34 0 C-N-CA 122.94 2.427 . . . . 20.0 112.196 -177.531 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 -65.36 146.37 98.96 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.49 -0.777 . . . . 20.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -72.56 65.22 3.79 Favored 'Trans proline' 0 C--N 1.343 0.242 0 C-N-CA 122.776 2.317 . . . . 20.0 112.58 -177.066 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -80.92 144.9 31.57 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.579 -0.737 . . . . 20.0 110.154 178.572 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 66.3 mt -84.63 120.95 74.67 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 116.168 -0.469 . . . . 20.0 109.799 179.411 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_endo -64.19 126.48 17.2 Favored 'Trans proline' 0 N--CA 1.462 -0.363 0 C-N-CA 122.501 2.134 . . . . 20.0 111.551 -179.785 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.5 m-70 -65.23 -16.01 63.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.252 -0.431 . . . . 20.0 111.618 -175.478 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.27 -43.49 78.84 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.015 0.436 . . . . 20.0 110.547 178.023 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -69.24 -34.84 75.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.719 -0.673 . . . . 20.0 110.645 -176.908 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 50.2 t -71.84 -49.55 44.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.703 -0.68 . . . . 20.0 110.662 -178.775 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.91 -48.72 80.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.72 -0.673 . . . . 20.0 110.965 -179.323 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HG3' ' OE2' ' A' ' 51' ' ' GLU . 40.5 ttm180 -58.05 -38.93 77.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.975 0.417 . . . . 20.0 111.003 -179.677 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.1 ttt180 -70.07 -48.37 58.06 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.981 -0.554 . . . . 20.0 111.169 -178.719 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 68.7 mtt -80.23 -48.88 12.4 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.18 0.437 . . . . 20.0 112.18 -173.504 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.15 -56.17 14.46 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.54 0.57 . . . . 20.0 112.54 -171.323 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' OE2' ' HG3' ' A' ' 47' ' ' ARG . 37.7 mt-10 -60.45 -36.3 77.91 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 111.903 0.334 . . . . 20.0 111.903 -174.093 . . . . . . . . 2 2 . 1 . 046 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -78.59 -35.12 46.2 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.771 0.32 . . . . 20.0 110.829 -179.394 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -75.32 -22.92 57.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.924 0.393 . . . . 20.0 110.195 -179.243 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.17 87.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.992 -0.549 . . . . 20.0 110.612 176.321 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -75.52 -16.8 60.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.947 -0.569 . . . . 20.0 110.158 179.063 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 62.5 mtt -87.71 -10.91 49.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.74 -0.664 . . . . 20.0 110.518 177.281 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 73.9 mtt180 -86.07 -33.14 21.06 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.118 -0.492 . . . . 20.0 109.725 174.904 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt 58.28 -94.72 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.002 -0.999 . . . . 20.0 111.796 177.967 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -96.09 -12.82 24.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 20.0 110.619 -179.44 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -81.6 3.71 24.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.037 -0.529 . . . . 20.0 110.983 -177.542 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.2 p -79.59 -30.89 41.68 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.922 0.391 . . . . 20.0 110.799 178.973 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -82.96 136.59 34.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.936 -0.574 . . . . 20.0 110.346 -177.337 . . . . . . . . 1 1 . 1 . 046 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 . . . . . 0 C--O 1.246 0.904 0 CA-C-O 118.428 -0.796 . . . . 20.0 109.799 179.938 . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 49.8 tpp . . . . . 0 N--CA 1.477 0.901 0 N-CA-C 110.403 -0.221 . . . . 20.0 110.403 . . . . . . . . . 0 0 . 1 . 047 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 36.1 t70 64.4 94.89 0.05 Allowed 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.637 0.586 . . . . 20.0 111.116 179.563 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 65.79 84.58 0.15 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.39 -0.823 . . . . 20.0 111.474 -179.716 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -85.91 53.97 2.97 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.617 -0.72 . . . . 20.0 109.677 179.414 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -132.33 72.03 1.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.022 -0.536 . . . . 20.0 110.6 -177.083 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -67.5 -40.93 85.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.37 0.605 . . . . 20.0 110.609 178.867 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 17.6 t70 63.62 27.32 14.87 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 114.528 -1.215 . . . . 20.0 111.308 176.459 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -74.78 -42.65 57.75 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.19 0.519 . . . . 20.0 109.796 176.852 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -88.43 0.25 56.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.598 -0.728 . . . . 20.0 109.102 175.201 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.4 t-20 72.98 133.45 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 114.493 -1.23 . . . . 20.0 111.059 178.832 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -80.05 54.59 1.95 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.191 -0.459 . . . . 20.0 111.987 -175.04 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 54.94 31.99 17.05 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.276 0.56 . . . . 20.0 111.599 178.029 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 79.6 mt -95.81 -5.77 41.06 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.954 -0.567 . . . . 20.0 109.945 -179.573 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.9 p -132.29 97.76 17.68 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.484 179.75 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -77.06 8.4 3.21 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.811 2.341 . . . . 20.0 112.313 -178.784 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.8 ptm -153.22 140.93 20.0 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.803 -0.635 . . . . 20.0 109.301 176.717 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.5 p -73.72 116.61 16.35 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.217 0.532 . . . . 20.0 110.154 178.951 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.5 m -68.96 124.48 23.85 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.668 -0.696 . . . . 20.0 111.369 -175.918 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 59.61 68.35 0.8 Allowed 'General case' 0 C--O 1.232 0.132 0 CA-C-N 115.66 -0.7 . . . . 20.0 111.613 174.599 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -122.72 72.22 1.07 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.656 -0.702 . . . . 20.0 109.65 178.287 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -117.97 -169.66 1.73 Allowed 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.607 -0.724 . . . . 20.0 110.106 -179.833 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 t -145.02 91.88 2.2 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.836 0.827 . . . . 20.0 110.074 176.757 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 pt -75.12 176.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.516 -0.765 . . . . 20.0 111.315 -179.26 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' HG3' ' N ' ' A' ' 17' ' ' GLN . 9.5 pt-20 -51.39 -41.56 60.79 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.933 0.397 . . . . 20.0 111.499 -179.454 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.405 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 82.8 mm-40 -66.92 -30.37 70.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 20.0 110.712 -178.447 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.661 ' HA ' ' CD2' ' A' ' 21' ' ' TYR . 45.9 mt-10 -81.4 -35.13 31.11 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.16 -0.473 . . . . 20.0 109.962 -179.933 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -62.09 -34.44 76.32 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.394 -0.595 . . . . 20.0 109.394 172.644 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.3 m -71.04 -20.74 62.35 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.667 -0.697 . . . . 20.0 111.155 179.76 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.661 ' CD2' ' HA ' ' A' ' 18' ' ' GLU . 15.6 m-85 -68.03 -23.14 64.95 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.874 0.368 . . . . 20.0 110.372 177.295 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -67.69 -18.06 64.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 20.0 110.92 -179.991 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.5 mm-40 -64.19 -30.42 71.48 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.041 0.448 . . . . 20.0 110.382 175.507 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 27.6 t90 -70.66 -33.75 71.28 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.993 -0.549 . . . . 20.0 110.05 177.959 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.9 mp -78.49 -33.84 47.92 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.999 -0.546 . . . . 20.0 109.985 177.643 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.451 ' HA ' HG12 ' A' ' 29' ' ' VAL . 77.7 ttt180 -49.91 -41.45 46.03 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.177 -0.92 . . . . 20.0 111.88 -179.044 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.03 -39.05 77.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.442 -0.345 . . . . 20.0 111.886 -177.411 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -92.46 -34.09 14.25 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.339 0.496 . . . . 20.0 112.339 -178.266 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.451 HG12 ' HA ' ' A' ' 26' ' ' ARG . 6.4 p -86.17 -22.62 7.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 112.015 0.376 . . . . 20.0 112.015 -173.372 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -114.0 157.96 21.79 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.524 0.202 . . . . 20.0 110.485 -177.966 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.7 t -174.14 157.57 2.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.714 0.292 . . . . 20.0 110.368 -179.111 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.6 t -95.62 11.55 32.83 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.452 0.644 . . . . 20.0 109.733 178.422 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.8 mt -104.61 37.34 2.15 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.365 -0.834 . . . . 20.0 110.099 179.285 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.14 130.99 55.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.752 -0.658 . . . . 20.0 110.899 -179.389 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 36' ' ' PRO . 3.4 m-20 -81.24 137.74 48.97 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 116.255 -0.43 . . . . 20.0 110.436 179.219 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 35' ' ' ASP . 36.6 Cg_exo -59.91 135.57 64.1 Favored 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 122.846 2.364 . . . . 20.0 112.025 177.288 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.518 ' O ' HG23 ' A' ' 40' ' ' ILE . 4.9 mpt_? -80.91 144.84 56.03 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.013 -0.539 . . . . 20.0 110.058 -178.979 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -59.43 144.45 99.41 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.474 2.116 . . . . 20.0 111.573 176.255 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 62.12 60.46 1.48 Allowed 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.761 0.663 . . . . 20.0 111.733 179.937 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.518 HG23 ' O ' ' A' ' 37' ' ' ARG . 5.2 pt -91.15 136.67 26.99 Favored Pre-proline 0 C--N 1.323 -0.548 0 CA-C-N 115.895 -0.593 . . . . 20.0 110.181 174.829 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.415 ' O ' HG23 ' A' ' 45' ' ' VAL . 18.8 Cg_endo -63.27 148.61 92.83 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.666 2.244 . . . . 20.0 111.901 179.684 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.509 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 36.1 m-70 -59.09 -29.77 67.6 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.306 -0.861 . . . . 20.0 111.973 -173.38 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -77.77 -30.16 51.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.359 . . . . 20.0 110.548 -178.875 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.473 ' HG3' ' HE ' ' A' ' 47' ' ' ARG . 22.6 tt0 -73.88 -35.45 64.7 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.831 -0.433 . . . . 20.0 109.831 176.248 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 41' ' ' PRO . 80.0 t -57.79 -40.36 75.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.097 -0.501 . . . . 20.0 110.481 177.074 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 42' ' ' HIS . 35.4 mt-10 -60.37 -54.34 46.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.487 . . . . 20.0 111.177 179.755 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.473 ' HE ' ' HG3' ' A' ' 44' ' ' GLU . 40.6 ptt180 -68.16 -30.21 69.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.937 0.398 . . . . 20.0 110.859 -177.712 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -79.2 -27.19 42.54 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.126 -0.488 . . . . 20.0 110.565 -178.028 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 48.2 ttm -64.07 -37.03 85.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 20.0 110.516 -179.031 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.13 -35.81 79.86 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.314 0.578 . . . . 20.0 110.373 176.638 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.17 -21.31 46.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.362 -0.836 . . . . 20.0 110.412 179.624 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.73 -33.01 60.26 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.06 -0.518 . . . . 20.0 109.709 174.683 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.5 t80 -71.77 -26.43 62.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.87 -0.605 . . . . 20.0 109.908 176.705 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.8 -24.4 65.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.707 -0.679 . . . . 20.0 110.782 176.254 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -63.44 -32.21 73.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.864 -0.607 . . . . 20.0 110.28 176.828 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 22.7 ttt -64.17 -29.22 70.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.776 -0.647 . . . . 20.0 110.66 179.335 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG2' ' HG2' ' A' ' 59' ' ' GLU . 44.8 ttm180 -74.51 -21.12 59.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.073 -0.512 . . . . 20.0 110.39 -179.844 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 68.27 7.91 6.24 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.464 -0.789 . . . . 20.0 112.245 176.446 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.433 ' HG2' ' HG2' ' A' ' 57' ' ' ARG . 7.4 mm-40 -94.54 89.14 5.7 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.448 -0.575 . . . . 20.0 109.448 177.86 . . . . . . . . 2 2 . 1 . 047 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 14.2 mmt180 -80.65 -59.6 2.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.193 0.52 . . . . 20.0 109.856 -176.7 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.4 t -151.31 27.22 0.68 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.459 -0.792 . . . . 20.0 109.531 -178.54 . . . . . . . . 1 1 . 1 . 047 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 63' ' ' GLN . 0.5 OUTLIER -106.12 131.16 53.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.628 -0.715 . . . . 20.0 109.497 -178.326 . . . . . . . . 3 3 . 1 . 047 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.411 ' N ' ' HD2' ' A' ' 62' ' ' LYS . 15.2 mm100 . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.747 -0.644 . . . . 20.0 110.23 179.574 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 25.4 mmt . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 110.173 -0.306 . . . . 20.0 110.173 . . . . . . . . . 0 0 . 1 . 048 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 66.38 32.7 7.45 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.63 0.581 . . . . 20.0 110.761 179.023 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -90.04 6.76 40.93 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.168 0.509 . . . . 20.0 110.809 179.571 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -96.32 -70.65 0.71 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.029 -0.73 . . . . 20.0 109.029 174.751 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -154.87 163.97 39.52 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.942 -0.762 . . . . 20.0 108.942 175.053 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.2 -43.38 86.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.09 0.472 . . . . 20.0 110.057 177.72 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -134.42 137.26 43.89 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.54 -0.755 . . . . 20.0 109.758 178.775 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -66.11 -31.92 73.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.776 -0.647 . . . . 20.0 111.084 -177.691 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 2' ' ' ASN . 27.2 mtpp -93.92 -1.72 54.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.037 -0.529 . . . . 20.0 110.972 177.116 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 1' ' ' LYS . 14.8 m120 69.25 -66.66 0.25 Allowed 'General case' 0 N--CA 1.469 0.482 0 O-C-N 123.842 0.714 . . . . 20.0 110.887 -175.153 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 24.8 mtp180 -94.11 76.6 4.06 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.201 0.524 . . . . 20.0 110.225 178.25 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -100.47 91.11 4.54 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.745 -0.661 . . . . 20.0 110.191 178.642 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.5 mp -104.99 108.11 19.45 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.401 -0.363 . . . . 20.0 110.718 -177.797 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.0 m -78.84 126.41 82.39 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.145 -0.479 . . . . 20.0 110.138 178.373 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_exo -54.63 107.9 0.26 Allowed 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.859 2.372 . . . . 20.0 112.162 178.211 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 63.1 mtt -74.49 137.47 42.54 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.176 -0.465 . . . . 20.0 110.9 -176.119 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 18.4 m -84.08 50.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.841 0.829 . . . . 20.0 111.577 -177.61 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.2 t -158.6 140.6 13.86 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.179 -0.919 . . . . 20.0 108.963 179.901 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -126.64 155.07 43.14 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.187 -0.301 . . . . 20.0 110.187 -178.426 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -105.8 78.95 1.38 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.358 0.599 . . . . 20.0 110.612 178.85 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.3 mm-40 -89.98 128.06 36.17 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.938 -0.574 . . . . 20.0 111.105 -177.34 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 18.8 p 46.1 70.2 0.4 Allowed 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.811 0.694 . . . . 20.0 112.451 179.574 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.1 tp -68.74 148.16 11.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-O 121.207 0.527 . . . . 20.0 110.354 178.863 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 42.3 mt-10 -75.57 -7.47 54.3 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.913 -0.585 . . . . 20.0 112.204 -175.32 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -54.52 -46.35 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.75 -0.204 . . . . 20.0 111.032 179.176 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.7 -28.62 65.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.941 0.4 . . . . 20.0 110.642 178.621 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.417 ' OD1' ' HA ' ' A' ' 16' ' ' GLU . 12.3 m120 -68.76 -34.62 75.88 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.483 -0.562 . . . . 20.0 109.483 178.93 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 15.6 m -79.54 -21.65 44.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.775 -0.648 . . . . 20.0 110.449 178.185 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -74.15 -45.92 45.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.876 -0.602 . . . . 20.0 110.955 -177.623 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -69.0 -30.47 68.87 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.68 -0.408 . . . . 20.0 110.317 -179.171 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -65.97 -37.85 87.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.179 0.514 . . . . 20.0 109.82 175.185 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 32.5 t90 -64.24 -39.92 94.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.634 -0.712 . . . . 20.0 110.221 176.763 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 91.6 mt -64.3 -38.32 90.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.097 0.475 . . . . 20.0 110.144 177.459 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -58.81 -43.38 90.56 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.619 -0.719 . . . . 20.0 110.748 175.906 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.54 -32.27 72.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 20.0 111.05 179.829 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -68.5 -46.05 70.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.867 178.588 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 92.7 t -69.28 -67.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 20.0 111.605 -177.117 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -167.93 127.32 1.29 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.025 0.44 . . . . 20.0 111.765 -175.099 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 26.9 m -88.86 -27.86 20.75 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.567 0.698 . . . . 20.0 109.204 173.568 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 m -136.73 135.49 38.17 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.254 -0.884 . . . . 20.0 109.189 175.341 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.419 HD22 ' N ' ' A' ' 33' ' ' LEU . 3.0 mm? -92.68 74.97 5.02 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.783 -0.189 . . . . 20.0 110.694 -175.152 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . 50.27 64.64 1.71 Allowed 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.728 0.642 . . . . 20.0 111.081 179.236 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -112.02 102.26 53.42 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.82 -0.627 . . . . 20.0 110.868 -175.553 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_endo -90.11 16.7 1.65 Allowed 'Trans proline' 0 N--CA 1.457 -0.652 0 C-N-CA 123.033 2.489 . . . . 20.0 112.329 177.437 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -78.15 137.37 60.85 Favored Pre-proline 0 C--N 1.323 -0.578 0 CA-C-N 116.076 -0.511 . . . . 20.0 110.293 -177.893 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.72 108.18 1.61 Allowed 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.275 1.983 . . . . 20.0 111.679 175.272 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -71.67 130.84 42.14 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.21 -0.45 . . . . 20.0 111.204 -176.992 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.437 ' H ' HG13 ' A' ' 40' ' ' ILE . 1.2 pp -73.51 121.02 84.11 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-O 121.035 0.445 . . . . 20.0 111.081 178.311 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -53.73 144.54 53.53 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.969 2.446 . . . . 20.0 112.722 179.196 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 23.6 p80 -91.34 2.65 56.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.271 0.558 . . . . 20.0 109.953 175.332 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -51.14 -45.2 61.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.886 -1.052 . . . . 20.0 112.949 -174.071 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.33 -23.09 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.733 -0.387 . . . . 20.0 110.544 -177.051 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.402 ' O ' ' HG2' ' A' ' 49' ' ' MET . 99.2 t -62.0 -37.06 77.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 109.47 -0.567 . . . . 20.0 109.47 173.283 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -57.01 -38.39 73.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.253 -0.885 . . . . 20.0 110.279 174.669 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -74.6 -38.56 62.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.814 -0.63 . . . . 20.0 109.972 179.964 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -58.3 -41.65 84.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.576 . . . . 20.0 110.218 175.029 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.402 ' HG2' ' O ' ' A' ' 45' ' ' VAL . 25.0 mmt -70.25 -31.87 69.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.711 -0.677 . . . . 20.0 110.751 178.01 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.02 -43.06 88.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.082 -0.508 . . . . 20.0 110.543 177.389 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -68.97 -33.98 74.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.826 -0.624 . . . . 20.0 110.059 177.354 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 75.6 ttt180 -63.7 -39.88 95.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.53 -0.759 . . . . 20.0 110.112 176.754 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.6 t80 -68.02 -36.04 79.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.751 -0.659 . . . . 20.0 110.144 176.696 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -61.44 -35.16 76.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.006 179.106 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 31.0 mmmt -69.67 -23.76 63.5 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.05 -0.523 . . . . 20.0 110.74 178.466 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . . . . . . . . . 97.0 mmm -85.98 -22.0 27.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.152 0.501 . . . . 20.0 110.379 178.738 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -76.96 -13.4 59.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.628 -0.714 . . . . 20.0 110.152 177.818 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.4 mmmt -65.05 110.21 2.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.947 -0.57 . . . . 20.0 111.171 -179.225 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -93.89 89.22 6.02 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.815 -0.629 . . . . 20.0 110.598 179.938 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -94.47 6.72 47.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.486 0.66 . . . . 20.0 109.844 177.457 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.9 t -140.45 144.64 36.21 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.149 -0.932 . . . . 20.0 108.539 176.066 . . . . . . . . 1 1 . 1 . 048 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.93 80.46 3.49 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.426 0.632 . . . . 20.0 111.234 -177.417 . . . . . . . . 2 2 . 1 . 048 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.157 -0.925 . . . . 20.0 110.65 179.125 . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.792 0.329 . . . . 20.0 110.806 . . . . . . . . . 0 0 . 1 . 049 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -94.66 -18.65 21.13 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 120.974 0.416 . . . . 20.0 111.218 -178.352 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -105.63 126.29 51.97 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.804 -0.635 . . . . 20.0 110.533 -175.691 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . 0.464 ' HD3' ' N ' ' A' ' -4' ' ' LYS . 0.0 OUTLIER -151.89 165.48 34.43 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.944 -0.571 . . . . 20.0 109.625 179.537 . . . . . . . . 3 3 . 1 . 049 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -125.98 57.25 1.38 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.131 0.491 . . . . 20.0 110.519 -179.569 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.48 -67.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.502 -0.772 . . . . 20.0 110.088 178.915 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 5.5 t70 49.31 86.41 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.294 -0.866 . . . . 20.0 111.455 -179.672 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -59.97 -33.43 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 20.0 112.094 -177.951 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 58.8 mmtt -81.14 -6.99 59.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.922 0.392 . . . . 20.0 110.642 -175.385 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 14.2 m120 62.75 26.71 15.76 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 115.433 -0.803 . . . . 20.0 111.343 176.575 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 50.78 43.65 28.13 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.836 -0.62 . . . . 20.0 111.887 -178.746 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.84 66.96 1.65 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.42 -0.355 . . . . 20.0 110.763 179.073 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 37.3 tp 51.16 56.96 7.17 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.76 0.791 . . . . 20.0 110.517 -178.954 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.1 m -135.89 79.19 46.08 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 115.567 -0.742 . . . . 20.0 110.61 -179.1 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -72.66 -72.84 0.02 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.414 2.076 . . . . 20.0 110.983 177.848 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.8 tpp -106.5 -32.99 7.84 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.174 -0.676 . . . . 20.0 109.174 175.986 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.6 p -148.81 146.42 17.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.22 -0.9 . . . . 20.0 109.322 178.559 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.5 t -83.27 79.62 9.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.208 0.528 . . . . 20.0 110.104 -177.826 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -105.75 128.89 53.98 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.815 -0.63 . . . . 20.0 111.303 -179.163 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -119.4 86.25 2.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.375 -0.83 . . . . 20.0 109.976 178.03 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -71.3 -34.22 70.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.224 -0.444 . . . . 20.0 110.502 179.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.7 p -91.74 93.26 8.8 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.12 -0.491 . . . . 20.0 111.158 -179.006 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.4 mt -56.44 -37.7 52.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.763 -0.653 . . . . 20.0 110.857 178.748 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -60.11 -37.7 80.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.589 -0.732 . . . . 20.0 111.003 179.733 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -83.69 -30.48 26.74 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 20.0 110.262 179.63 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -62.83 -26.52 68.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.962 -0.563 . . . . 20.0 110.067 176.467 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -61.03 -31.53 71.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 20.0 110.63 178.397 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.0 m -71.01 -30.92 67.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.066 0.46 . . . . 20.0 110.451 178.273 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.515 ' HA ' ' CE3' ' A' ' 24' ' ' TRP . 65.9 m-85 -73.7 -38.22 64.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.34 0.591 . . . . 20.0 109.625 176.264 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -69.88 -21.89 63.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.52 -0.764 . . . . 20.0 110.591 176.861 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -66.03 -39.52 90.27 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.787 -0.642 . . . . 20.0 109.878 178.027 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.515 ' CE3' ' HA ' ' A' ' 21' ' ' TYR . 9.0 m0 -73.26 -27.26 61.47 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.108 0.48 . . . . 20.0 110.093 177.466 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 90.8 mt -72.63 -10.59 59.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 20.0 110.881 178.066 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -66.75 -40.12 88.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 20.0 110.435 174.373 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.46 -34.3 20.13 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.45 0.643 . . . . 20.0 110.456 179.356 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -82.72 3.81 27.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.234 -0.894 . . . . 20.0 111.342 -179.219 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 p -51.97 -27.91 9.64 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.368 0 N-CA-C 112.355 0.502 . . . . 20.0 112.355 -176.147 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.57 -22.57 62.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.156 0.503 . . . . 20.0 111.159 -178.97 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.472 HG22 ' CD1' ' A' ' 33' ' ' LEU . 4.4 m -123.68 74.31 1.26 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.84 -0.618 . . . . 20.0 109.336 -179.387 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.8 m -86.32 92.34 8.77 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.222 -0.445 . . . . 20.0 111.953 -173.794 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' CD1' HG22 ' A' ' 31' ' ' THR . 8.4 mp -90.06 -33.85 16.15 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.309 -0.626 . . . . 20.0 109.309 171.433 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.72 69.65 2.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.912 -0.585 . . . . 20.0 109.986 177.829 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -73.95 143.27 80.74 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.789 -0.641 . . . . 20.0 110.775 -177.284 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -86.5 32.07 0.45 Allowed 'Trans proline' 0 N--CA 1.461 -0.403 0 C-N-CA 123.061 2.507 . . . . 20.0 112.804 179.894 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 60.17 75.32 0.49 Allowed Pre-proline 0 N--CA 1.465 0.323 0 CA-C-N 115.692 -0.685 . . . . 20.0 111.327 179.14 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -70.46 142.43 44.83 Favored 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.523 2.148 . . . . 20.0 111.967 -179.464 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 52.87 64.01 2.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.878 -0.601 . . . . 20.0 111.688 178.503 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 pt -73.85 135.14 77.72 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.034 -0.53 . . . . 20.0 110.435 177.695 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.66 146.78 42.5 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 123.154 2.569 . . . . 20.0 111.839 179.978 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 -62.77 -25.9 68.44 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.749 -0.659 . . . . 20.0 110.915 -173.029 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 47' ' ' ARG . 15.6 t70 -70.48 -39.43 74.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 20.0 110.36 176.557 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.517 ' HG3' ' NH1' ' A' ' 48' ' ' ARG . 32.5 tt0 -72.47 -35.71 68.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.083 -179.633 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.6 t -60.51 -45.79 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.858 -0.61 . . . . 20.0 110.132 175.206 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -63.76 -27.83 69.46 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.361 -0.836 . . . . 20.0 111.389 -178.033 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 43' ' ' ASP . 62.3 mtt-85 -84.83 -53.35 5.39 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.549 -0.296 . . . . 20.0 111.205 178.751 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.517 ' NH1' ' HG3' ' A' ' 44' ' ' GLU . 7.2 mpt_? -87.41 -59.58 2.21 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.339 0.496 . . . . 20.0 112.339 -173.01 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 62.6 mtp -69.32 -19.91 63.88 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.329 0.492 . . . . 20.0 112.329 -172.297 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.58 -48.14 78.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.968 0.414 . . . . 20.0 110.929 177.368 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -67.94 -29.7 68.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.867 -0.606 . . . . 20.0 110.662 -179.339 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.535 ' O ' ' HG3' ' A' ' 56' ' ' MET . 36.4 mtp180 -79.12 -33.08 44.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 20.0 110.775 -179.785 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -66.35 -37.95 86.5 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 20.0 109.806 177.833 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.67 -28.07 68.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.799 -0.637 . . . . 20.0 110.089 174.93 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -79.1 -26.82 42.92 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.481 -0.781 . . . . 20.0 110.302 178.295 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.535 ' HG3' ' O ' ' A' ' 52' ' ' ARG . 68.0 mtt -63.46 -17.49 62.77 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.313 -0.403 . . . . 20.0 110.857 179.059 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -57.92 -35.43 71.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.362 0.601 . . . . 20.0 109.769 175.992 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 tmtp? -164.73 78.29 0.34 Allowed 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 108.483 -0.932 . . . . 20.0 108.483 179.031 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.9 -11.36 20.76 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.024 0.44 . . . . 20.0 110.52 -177.825 . . . . . . . . 2 2 . 1 . 049 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 51.7 ttt180 59.04 34.5 23.52 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.067 -0.969 . . . . 20.0 110.472 178.699 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 t -148.98 147.51 28.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.254 -0.43 . . . . 20.0 109.864 -178.697 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -94.24 84.74 4.47 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.343 -0.389 . . . . 20.0 110.579 -176.136 . . . . . . . . 1 1 . 1 . 049 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.107 -0.949 . . . . 20.0 110.909 -178.094 . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' -7' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.774 0.321 . . . . 20.0 111.056 . . . . . . . . . 0 0 . 1 . 050 nuclear nobuild full ' A' A ' -6' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -98.5 -175.55 3.12 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.731 -0.213 . . . . 20.0 110.469 179.367 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' -5' ' ' TYR . . . . . 0.515 ' CD1' ' HA ' ' A' ' 7' ' ' PRO . 82.3 t80 -60.78 135.59 57.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.455 -0.338 . . . . 20.0 110.806 -178.515 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' -4' ' ' LYS . . . . . . . . . . . . . 82.9 tttt 57.32 46.62 18.15 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.904 0.859 . . . . 20.0 109.615 -177.998 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' -3' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -160.89 -47.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.836 -1.074 . . . . 20.0 110.024 179.85 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' -2' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -63.04 -69.75 0.25 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.882 -0.599 . . . . 20.0 110.477 179.986 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' -1' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 63.12 -2.23 0.44 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 113.29 0.848 . . . . 20.0 113.29 174.45 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 0' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -91.57 -67.06 0.88 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.057 0.456 . . . . 20.0 109.828 177.019 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.9 pptp? -93.27 -25.73 17.64 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.019 -0.537 . . . . 20.0 109.948 178.423 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -111.54 96.05 5.87 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.997 -0.547 . . . . 20.0 109.975 178.238 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -104.92 70.12 0.9 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.257 -0.429 . . . . 20.0 110.289 -178.982 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.27 -167.61 0.18 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.576 -0.738 . . . . 20.0 111.387 179.64 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 9.4 mp 65.44 5.49 3.21 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.947 178.136 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 t -171.85 100.25 0.38 Allowed Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 120.713 0.292 . . . . 20.0 110.851 -176.873 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.515 ' HA ' ' CD1' ' A' ' -5' ' ' TYR . 17.1 Cg_exo -67.7 -51.43 0.68 Allowed 'Trans proline' 0 N--CA 1.463 -0.311 0 C-N-CA 122.353 2.035 . . . . 20.0 110.689 172.141 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.4 tpp -154.25 51.15 0.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.772 0.796 . . . . 20.0 109.544 176.366 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 38.8 t -104.87 95.38 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.538 -0.755 . . . . 20.0 110.004 179.646 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.8 m 63.81 28.52 14.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.773 -0.649 . . . . 20.0 111.427 179.205 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -90.89 92.9 8.98 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.459 -0.571 . . . . 20.0 109.459 177.502 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -99.54 98.49 9.37 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 120.985 0.421 . . . . 20.0 111.311 -175.351 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.45 174.53 9.78 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.12 -0.696 . . . . 20.0 109.12 176.882 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.511 ' HB ' ' HB3' ' A' ' 17' ' ' GLN . 18.1 p 44.63 61.49 2.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.273 0.559 . . . . 20.0 111.254 -176.453 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.2 mm -66.31 -38.42 81.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.647 -0.706 . . . . 20.0 111.601 -172.841 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -67.19 -43.24 82.64 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.193 -0.458 . . . . 20.0 110.055 179.662 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.511 ' HB3' ' HB ' ' A' ' 14' ' ' THR . 35.2 tt0 -66.45 -37.04 84.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.668 -0.697 . . . . 20.0 110.836 -179.581 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -60.58 -44.85 95.75 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.95 -0.568 . . . . 20.0 110.41 -178.311 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -72.76 -42.28 64.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.154 -0.475 . . . . 20.0 111.22 -178.295 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.1 p -65.42 -33.81 76.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.013 0.435 . . . . 20.0 110.977 -178.484 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 68.4 t80 -72.95 -38.62 66.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.273 -0.422 . . . . 20.0 110.46 179.266 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -64.19 -33.56 76.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.362 -0.381 . . . . 20.0 110.819 178.22 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -63.03 -38.95 93.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.344 -0.389 . . . . 20.0 110.577 176.282 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 64.0 t-105 -70.91 -37.74 72.96 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.319 -0.4 . . . . 20.0 110.513 177.526 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 58.4 tp -56.94 -42.12 79.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.038 0.447 . . . . 20.0 110.289 178.031 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -70.29 -27.34 64.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.877 -0.601 . . . . 20.0 111.125 178.958 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.47 -32.53 28.81 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.356 -0.384 . . . . 20.0 111.042 -179.137 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -74.12 -39.88 63.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.07 -0.514 . . . . 20.0 110.731 -179.137 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 p -71.7 -7.4 9.23 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 CA-C-O 121.546 0.689 . . . . 20.0 110.699 -179.274 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -136.7 43.21 2.44 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.583 -0.735 . . . . 20.0 109.894 177.53 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 10.6 t -83.91 -12.33 55.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.863 -0.608 . . . . 20.0 111.265 -176.07 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 32.1 t -139.82 154.05 47.24 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.217 -0.447 . . . . 20.0 110.156 -177.306 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.6 51.51 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.248 -0.649 . . . . 20.0 109.248 177.949 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.13 58.34 3.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.464 -0.789 . . . . 20.0 109.95 178.248 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -102.68 119.98 54.2 Favored Pre-proline 0 C--N 1.322 -0.623 0 CA-C-N 115.329 -0.851 . . . . 20.0 110.662 -175.234 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -93.65 20.35 0.71 Allowed 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 123.09 2.527 . . . . 20.0 113.123 179.799 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -89.91 137.71 28.13 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 120.719 0.295 . . . . 20.0 110.958 -177.024 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -68.6 97.73 0.55 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 122.669 2.246 . . . . 20.0 111.492 173.941 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . 65.32 105.35 0.04 OUTLIER 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.668 -0.696 . . . . 20.0 111.855 -179.775 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 71.5 mt -65.2 126.79 92.05 Favored Pre-proline 0 C--N 1.324 -0.501 0 N-CA-C 109.358 -0.608 . . . . 20.0 109.358 174.847 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -50.21 117.46 3.17 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.522 2.148 . . . . 20.0 111.889 179.869 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.603 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 44.2 m80 -91.91 -19.51 22.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.092 -0.504 . . . . 20.0 110.947 -176.519 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.17 -37.48 80.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.479 -0.328 . . . . 20.0 111.537 -177.216 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -75.81 -13.0 60.28 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.814 0.34 . . . . 20.0 110.847 179.242 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.0 t -91.11 -48.11 14.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.015 0.436 . . . . 20.0 110.405 176.191 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.603 ' HG2' ' O ' ' A' ' 42' ' ' HIS . 31.4 mm-40 -54.27 -37.23 64.48 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.522 -0.763 . . . . 20.0 111.353 -178.721 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -59.14 -33.23 70.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.023 -0.535 . . . . 20.0 111.164 -179.545 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.523 ' O ' ' HG2' ' A' ' 52' ' ' ARG . 45.0 mtp180 -82.41 -43.11 17.73 Favored 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 109.998 -0.371 . . . . 20.0 109.998 -178.809 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 59.9 mtt -61.29 -28.45 69.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.944 -0.571 . . . . 20.0 111.108 -179.384 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.422 ' HA ' ' CD2' ' A' ' 53' ' ' PHE . . . -54.94 -45.68 74.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.92 0.39 . . . . 20.0 111.085 177.572 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -78.77 -22.46 46.35 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.114 -0.494 . . . . 20.0 110.565 -179.509 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.526 ' O ' ' HG2' ' A' ' 56' ' ' MET . 25.5 mmm180 -79.59 -19.86 48.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.071 -0.513 . . . . 20.0 110.904 -178.106 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CD2' ' HA ' ' A' ' 50' ' ' ALA . 13.3 m-85 -57.91 -31.02 66.37 Favored 'General case' 0 N--CA 1.461 0.116 0 CA-C-N 116.654 -0.248 . . . . 20.0 111.556 -179.871 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.76 -42.0 96.58 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.149 0.499 . . . . 20.0 110.598 177.601 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.6 tttp -77.66 -19.89 54.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.644 -0.707 . . . . 20.0 110.492 -179.003 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 56' ' ' MET . . . . . 0.526 ' HG2' ' O ' ' A' ' 52' ' ' ARG . 25.8 mmt -70.4 -19.0 63.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.937 -0.574 . . . . 20.0 110.811 179.83 . . . . . . . . 2 2 . 1 . 050 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mpt_? -64.78 -29.36 70.33 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 109.641 -0.503 . . . . 20.0 109.641 173.621 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -81.27 154.58 26.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.403 -0.817 . . . . 20.0 108.894 175.257 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -88.89 51.16 2.1 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.339 0.59 . . . . 20.0 110.539 -177.348 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -160.57 140.63 11.25 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.186 -0.916 . . . . 20.0 109.022 -179.979 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.0 t -142.84 176.93 8.69 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 110.258 -0.275 . . . . 20.0 110.258 -178.656 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -157.2 121.72 4.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.1 -0.5 . . . . 20.0 109.785 -178.723 . . . . . . . . 1 1 . 1 . 050 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 49.0 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.55 -0.738 . . . . 20.0 109.983 178.705 . . . . . . . . 0 0 . 1 stop_ save_